diff --git "a/CC/data_cc/kegg_compounds.json" "b/CC/data_cc/kegg_compounds.json" new file mode 100644--- /dev/null +++ "b/CC/data_cc/kegg_compounds.json" @@ -0,0 +1,146939 @@ +[ + { + "compound_id": "C00001", + "inchi": "InChI=1S/H2O/h1H2", + "name": "H2O", + "names": [ + "H2O", + "H2O(1)", + "Water", + "h2o(1)" + ] + }, + { + "compound_id": "C00002", + "inchi": "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "ATP", + "names": [ + "ATP", + "Adenosine 5'-triphosphate", + "atp-4-" + ] + }, + { + "compound_id": "C00003", + "inchi": "InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", + "name": "NAD+", + "names": [ + "DPN", + "Diphosphopyridine nucleotide", + "NAD", + "NAD(ox)", + "NAD+", + "Nadide", + "Nicotinamide adenine dinucleotide", + "nad(ox)" + ] + }, + { + "compound_id": "C00004", + "inchi": "InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", + "name": "NADH", + "names": [ + "DPNH", + "NAD(red)", + "NADH", + "Reduced nicotinamide adenine dinucleotide", + "nad(red)" + ] + }, + { + "compound_id": "C00005", + "inchi": "InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", + "name": "NADPH", + "names": [ + "NADP(red)", + "NADPH", + "Reduced nicotinamide adenine dinucleotide phosphate", + "TPNH", + "nadp(red)" + ] + }, + { + "compound_id": "C00006", + "inchi": "InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", + "name": "NADP+", + "names": [ + "NADP", + "NADP(ox)", + "NADP+", + "Nicotinamide adenine dinucleotide phosphate", + "TPN", + "Triphosphopyridine nucleotide", + "beta-Nicotinamide adenine dinucleotide phosphate", + "nadp(ox)" + ] + }, + { + "compound_id": "C00007", + "inchi": "InChI=1S/O2/c1-2", + "name": "Oxygen", + "names": [ + "O2", + "Oxygen" + ] + }, + { + "compound_id": "C00008", + "inchi": "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "ADP", + "names": [ + "ADP", + "Adenosine 5'-diphosphate", + "adp-3-" + ] + }, + { + "compound_id": "C00009", + "inchi": "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)", + "name": "Orthophosphate", + "names": [ + "Orthophospate", + "Orthophosphate", + "Orthophosphoric acid", + "Phosphate", + "Phosphoric acid", + "hpo4-2-", + "orthophospate" + ] + }, + { + "compound_id": "C00010", + "inchi": "InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1", + "name": "CoA", + "names": [ + "CoA", + "CoA-SH", + "Coenzyme A" + ] + }, + { + "compound_id": "C00011", + "inchi": "InChI=1S/CO2/c2-1-3", + "name": "CO2", + "names": [ + "CO2", + "Carbon dioxide" + ] + }, + { + "compound_id": "C00012", + "inchi": null, + "name": "Peptide", + "names": [ + "Peptide" + ] + }, + { + "compound_id": "C00013", + "inchi": "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)", + "name": "Diphosphate", + "names": [ + "Diphosphate", + "Diphosphoric acid", + "PPi", + "Pyrophosphate", + "Pyrophosphate this is an approximate result.", + "Pyrophosphoric acid", + "pyrophosphate this is an approximate result." + ] + }, + { + "compound_id": "C00014", + "inchi": "InChI=1S/H3N/h1H3", + "name": "NH3", + "names": [ + "Ammonia", + "NH3" + ] + }, + { + "compound_id": "C00015", + "inchi": "InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "UDP", + "names": [ + "UDP", + "Uridine 5'-diphosphate" + ] + }, + { + "compound_id": "C00016", + "inchi": "InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1", + "name": "FAD", + "names": [ + "FAD", + "Flavin adenine dinucleotide", + "flavin-adenine dinucleotide" + ] + }, + { + "compound_id": "C00017", + "inchi": null, + "name": "Protein", + "names": [ + "Protein" + ] + }, + { + "compound_id": "C00018", + "inchi": "InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)", + "name": "Pyridoxal phosphate", + "names": [ + "PLP", + "Pyridoxal 5'-phosphate", + "Pyridoxal 5-phosphate", + "Pyridoxal phosphate" + ] + }, + { + "compound_id": "C00019", + "inchi": "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1", + "name": "S-Adenosyl-L-methionine", + "names": [ + "AdoMet", + "S-Adenosyl-L-methionine", + "S-Adenosylmethionine", + "SAM" + ] + }, + { + "compound_id": "C00020", + "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "AMP", + "names": [ + "5'-AMP", + "5'-Adenosine monophosphate", + "5'-Adenylic acid", + "AMP", + "Adenosine 5'-monophosphate", + "Adenosine 5'-phosphate", + "Adenylate", + "Adenylic acid", + "amp-2--" + ] + }, + { + "compound_id": "C00021", + "inchi": "InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1", + "name": "S-Adenosyl-L-homocysteine", + "names": [ + "S-Adenosyl-L-homocysteine", + "S-Adenosylhomocysteine" + ] + }, + { + "compound_id": "C00022", + "inchi": "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)", + "name": "Pyruvate", + "names": [ + "2-Oxopropanoate", + "2-Oxopropanoic acid", + "Pyroracemic acid", + "Pyruvate", + "Pyruvate-", + "Pyruvic acid", + "pyruvate-" + ] + }, + { + "compound_id": "C00023", + "inchi": "InChI=1S/Fe", + "name": "Iron", + "names": [ + "Iron" + ] + }, + { + "compound_id": "C00024", + "inchi": "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18?,22-/m1/s1", + "name": "Acetyl-CoA", + "names": [ + "Acetyl coenzyme A", + "Acetyl-CoA" + ] + }, + { + "compound_id": "C00025", + "inchi": "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1", + "name": "L-Glutamate", + "names": [ + "Glutamate", + "L-Glutamate", + "L-Glutamic acid", + "L-Glutaminic acid" + ] + }, + { + "compound_id": "C00026", + "inchi": "InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)", + "name": "2-Oxoglutarate", + "names": [ + "2-Ketoglutaric acid", + "2-Oxoglutarate", + "Oxoglutaric acid", + "alpha-Ketoglutaric acid" + ] + }, + { + "compound_id": "C00027", + "inchi": "InChI=1S/H2O2/c1-2/h1-2H", + "name": "Hydrogen peroxide", + "names": [ + "H2O2", + "Hydrogen peroxide", + "Oxydol" + ] + }, + { + "compound_id": "C00028", + "inchi": null, + "name": "Acceptor", + "names": [ + "A", + "Acceptor", + "Hydrogen-acceptor", + "Oxidized donor" + ] + }, + { + "compound_id": "C00029", + "inchi": "InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1", + "name": "UDP-glucose", + "names": [ + "UDP-D-glucose", + "UDP-alpha-D-glucose", + "UDP-glucose", + "UDPglucose", + "Uridine diphosphate glucose" + ] + }, + { + "compound_id": "C00030", + "inchi": null, + "name": "Reduced acceptor", + "names": [ + "AH2", + "Donor", + "Hydrogen-donor", + "Reduced acceptor" + ] + }, + { + "compound_id": "C00031", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1", + "name": "D-Glucose", + "names": [ + "D-Glucose", + "Dextrose", + "Glucose", + "Grape sugar" + ] + }, + { + "compound_id": "C00032", + "inchi": "InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;", + "name": "Heme", + "names": [ + "Haem", + "Heme", + "Heme B", + "Protoheme", + "Protoheme IX" + ] + }, + { + "compound_id": "C00033", + "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)", + "name": "Acetate", + "names": [ + "Acetate", + "Acetic acid", + "Ethanoic acid", + "acetate-" + ] + }, + { + "compound_id": "C00034", + "inchi": "InChI=1S/Mn", + "name": "Manganese", + "names": [ + "Manganese" + ] + }, + { + "compound_id": "C00035", + "inchi": "InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", + "name": "GDP", + "names": [ + "GDP", + "Guanosine 5'-diphosphate", + "Guanosine diphosphate" + ] + }, + { + "compound_id": "C00036", + "inchi": "InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)", + "name": "Oxaloacetate", + "names": [ + "2-Oxobutanedioic acid", + "Oxalacetic acid", + "Oxaloacetate", + "Oxaloacetic acid", + "Oxosuccinic acid", + "keto-Oxaloacetate" + ] + }, + { + "compound_id": "C00037", + "inchi": "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)", + "name": "Glycine", + "names": [ + "Aminoacetic acid", + "Gly", + "Glycine" + ] + }, + { + "compound_id": "C00038", + "inchi": "InChI=1S/Zn/q+2", + "name": "Zinc cation", + "names": [ + "Zinc cation", + "Zinc ion", + "Zn(II)", + "Zn2+" + ] + }, + { + "compound_id": "C00039", + "inchi": null, + "name": "DNA", + "names": [ + "(Deoxyribonucleotide)m", + "(Deoxyribonucleotide)n", + "(Deoxyribonucleotide)n+m", + "DNA", + "DNAn", + "DNAn+1", + "Deoxyribonucleic acid" + ] + }, + { + "compound_id": "C00040", + "inchi": null, + "name": "Acyl-CoA", + "names": [ + "Acyl coenzyme A", + "Acyl-CoA" + ] + }, + { + "compound_id": "C00041", + "inchi": "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1", + "name": "L-Alanine", + "names": [ + "L-2-Aminopropionic acid", + "L-Alanine", + "L-alpha-Alanine" + ] + }, + { + "compound_id": "C00042", + "inchi": "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)", + "name": "Succinate", + "names": [ + "Butanedionic acid", + "Ethylenesuccinic acid", + "Succinate", + "Succinic acid" + ] + }, + { + "compound_id": "C00043", + "inchi": "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1", + "name": "UDP-N-acetyl-D-glucosamine", + "names": [ + "UDP-N-acetyl-D-glucosamine", + "UDP-N-acetylglucosamine" + ] + }, + { + "compound_id": "C00044", + "inchi": "InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", + "name": "GTP", + "names": [ + "GTP", + "Guanosine 5'-triphosphate" + ] + }, + { + "compound_id": "C00045", + "inchi": null, + "name": "Amino acid", + "names": [ + "Amino acid", + "Amino acids" + ] + }, + { + "compound_id": "C00046", + "inchi": null, + "name": "RNA", + "names": [ + "(Ribonucleotide)m", + "(Ribonucleotide)n", + "(Ribonucleotide)n+m", + "RNA", + "RNA(linear)", + "RNAn", + "RNAn+1", + "Ribonucleic acid" + ] + }, + { + "compound_id": "C00047", + "inchi": "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1", + "name": "L-Lysine", + "names": [ + "2,6-Diaminohexanoic acid", + "L-Lysine", + "Lysine acid" + ] + }, + { + "compound_id": "C00048", + "inchi": "InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)", + "name": "Glyoxylate", + "names": [ + "Glyoxalate", + "Glyoxylate", + "Glyoxylic acid" + ] + }, + { + "compound_id": "C00049", + "inchi": "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1", + "name": "L-Aspartate", + "names": [ + "2-Aminosuccinic acid", + "L-Asp", + "L-Aspartate", + "L-Aspartic acid" + ] + }, + { + "compound_id": "C00050", + "inchi": null, + "name": "Metal", + "names": [ + "Metal" + ] + }, + { + "compound_id": "C00051", + "inchi": "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", + "name": "Glutathione", + "names": [ + "5-L-Glutamyl-L-cysteinylglycine", + "GSH", + "Glutathione", + "Glutathione (reduced)", + "Glutathoine(red)", + "N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine", + "Reduced glutathione", + "gamma-L-Glutamyl-L-cysteinyl-glycine", + "glutathione (reduced)", + "glutathoine(red)" + ] + }, + { + "compound_id": "C00052", + "inchi": "InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13?,14-/m1/s1", + "name": "UDP-D-galactose", + "names": [ + "UDP-D-galactopyranose", + "UDP-D-galactose", + "UDP-galactose", + "UDPgalactose", + "udpgalactose" + ] + }, + { + "compound_id": "C00053", + "inchi": "InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1", + "name": "3'-Phosphoadenylyl sulfate", + "names": [ + "3'-Phospho-5'-adenylyl sulfate", + "3'-Phosphoadenosine 5'-phosphosulfate", + "3'-Phosphoadenylyl sulfate", + "3'-Phosphoadenylylsulfate", + "3'-phosphoadenylylsulfate", + "PAPS" + ] + }, + { + "compound_id": "C00054", + "inchi": "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine 3',5'-bisphosphate", + "names": [ + "3'-Phosphoadenylate", + "Adenosine 3',5'-bisphosphate", + "PAP", + "Phosphoadenosine phosphate", + "adenosine 3',5'-biphosphate" + ] + }, + { + "compound_id": "C00055", + "inchi": "InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "CMP", + "names": [ + "CMP", + "Cytidine-5'-monophosphate", + "Cytidylic acid" + ] + }, + { + "compound_id": "C00058", + "inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)", + "name": "Formate", + "names": [ + "Formate", + "Formic acid", + "Methanoic acid" + ] + }, + { + "compound_id": "C00059", + "inchi": "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)", + "name": "Sulfate", + "names": [ + "Sulfate", + "Sulfuric acid" + ] + }, + { + "compound_id": "C00060", + "inchi": null, + "name": "Carboxylate", + "names": [ + "Carboxylate", + "Carboxylic acid", + "Monocarboxylate", + "R-COOH" + ] + }, + { + "compound_id": "C00061", + "inchi": "InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1", + "name": "FMN", + "names": [ + "FMN", + "Flavin mononucleotide", + "Riboflavin-5-phosphate", + "fmn(oxidized)" + ] + }, + { + "compound_id": "C00062", + "inchi": "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1", + "name": "L-Arginine", + "names": [ + "(S)-2-Amino-5-guanidinovaleric acid", + "L-Arg", + "L-Arginine" + ] + }, + { + "compound_id": "C00063", + "inchi": "InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "CTP", + "names": [ + "CTP", + "Cytidine 5'-triphosphate", + "Cytidine triphosphate" + ] + }, + { + "compound_id": "C00064", + "inchi": "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1", + "name": "L-Glutamine", + "names": [ + "L-2-Aminoglutaramic acid", + "L-Glutamine" + ] + }, + { + "compound_id": "C00065", + "inchi": "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1", + "name": "L-Serine", + "names": [ + "L-2-Amino-3-hydroxypropionic acid", + "L-3-Hydroxy-alanine", + "L-Serine", + "Serine" + ] + }, + { + "compound_id": "C00066", + "inchi": null, + "name": "tRNA", + "names": [ + "tRNA", + "tRNA(n)", + "tRNA(n+1)", + "transfer RNA" + ] + }, + { + "compound_id": "C00067", + "inchi": "InChI=1S/CH2O/c1-2/h1H2", + "name": "Formaldehyde", + "names": [ + "Formaldehyde", + "Formalin", + "Methanal", + "Methylene oxide", + "Oxomethane", + "Oxomethylene" + ] + }, + { + "compound_id": "C00068", + "inchi": "InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1", + "name": "Thiamin diphosphate", + "names": [ + "TPP", + "ThPP", + "Thiamin diphosphate", + "Thiamin pyrophosphate", + "Thiamine diphosphate" + ] + }, + { + "compound_id": "C00069", + "inchi": null, + "name": "Alcohol", + "names": [ + "Alcohol" + ] + }, + { + "compound_id": "C00070", + "inchi": "InChI=1S/Cu", + "name": "Copper", + "names": [ + "Copper", + "Cu(II)", + "Cu+", + "Cu2+" + ] + }, + { + "compound_id": "C00071", + "inchi": null, + "name": "Aldehyde", + "names": [ + "Aldehyde", + "RCHO" + ] + }, + { + "compound_id": "C00072", + "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1", + "name": "Ascorbate", + "names": [ + "Ascorbate", + "Ascorbic acid", + "L-Ascorbate", + "L-Ascorbic acid", + "L-ascorbate", + "Vitamin C" + ] + }, + { + "compound_id": "C00073", + "inchi": "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1", + "name": "L-Methionine", + "names": [ + "L-2-Amino-4methylthiobutyric acid", + "L-Methionine", + "Methionine" + ] + }, + { + "compound_id": "C00074", + "inchi": "InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)", + "name": "Phosphoenolpyruvate", + "names": [ + "PEP", + "Phosphoenolpyruvate", + "Phosphoenolpyruvic acid", + "phosphoenolpyruvate3-" + ] + }, + { + "compound_id": "C00075", + "inchi": "InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "UTP", + "names": [ + "UTP", + "Uridine 5'-triphosphate", + "Uridine triphosphate" + ] + }, + { + "compound_id": "C00076", + "inchi": "InChI=1S/Ca/q+2", + "name": "Calcium cation", + "names": [ + "Ca2+", + "Calcium cation", + "Calcium ion", + "Calcium(2+)" + ] + }, + { + "compound_id": "C00077", + "inchi": "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1", + "name": "L-Ornithine", + "names": [ + "(S)-2,5-Diaminopentanoate", + "(S)-2,5-Diaminopentanoic acid", + "(S)-2,5-Diaminovaleric acid", + "L-Ornithine" + ] + }, + { + "compound_id": "C00078", + "inchi": "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1", + "name": "L-Tryptophan", + "names": [ + "(S)-alpha-Amino-beta-(3-indolyl)-propionic acid", + "L-Tryptophan", + "Tryptophan" + ] + }, + { + "compound_id": "C00079", + "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1", + "name": "L-Phenylalanine", + "names": [ + "(S)-alpha-Amino-beta-phenylpropionic acid", + "L-Phenylalanine" + ] + }, + { + "compound_id": "C00080", + "inchi": "InChI=1S/p+1", + "name": "H+", + "names": [ + "H+", + "Hydron" + ] + }, + { + "compound_id": "C00081", + "inchi": "InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "ITP", + "names": [ + "ITP", + "Inosine 5'-triphosphate", + "Inosine triphosphate", + "Inosine tripolyphosphate" + ] + }, + { + "compound_id": "C00082", + "inchi": "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1", + "name": "L-Tyrosine", + "names": [ + "(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid", + "(S)-3-(p-Hydroxyphenyl)alanine", + "L-Tyrosine", + "Tyrosine" + ] + }, + { + "compound_id": "C00083", + "inchi": "InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1", + "name": "Malonyl-CoA", + "names": [ + "Malonyl coenzyme A", + "Malonyl-CoA" + ] + }, + { + "compound_id": "C00084", + "inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3", + "name": "Acetaldehyde", + "names": [ + "Acetaldehyde", + "Ethanal" + ] + }, + { + "compound_id": "C00085", + "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", + "name": "D-Fructose 6-phosphate", + "names": [ + "D-Fructose 6-phosphate", + "D-Fructose 6-phosphoric acid", + "Neuberg ester" + ] + }, + { + "compound_id": "C00086", + "inchi": "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)", + "name": "Urea", + "names": [ + "Carbamide", + "Urea" + ] + }, + { + "compound_id": "C00087", + "inchi": null, + "name": "Sulfur", + "names": [ + "Elemental sulfur", + "S", + "Sulfur", + "sulfur" + ] + }, + { + "compound_id": "C00088", + "inchi": "InChI=1S/HNO2/c2-1-3/h(H,2,3)", + "name": "Nitrite", + "names": [ + "Nitrite" + ] + }, + { + "compound_id": "C00089", + "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1", + "name": "Sucrose", + "names": [ + "1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside", + "Cane sugar", + "Saccharose", + "Sucrose" + ] + }, + { + "compound_id": "C00090", + "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H", + "name": "Catechol", + "names": [ + "1,2-Benzenediol", + "1,2-Dihydroxybenzene", + "Brenzcatechin", + "Catechol", + "Pyrocatechol", + "o-Benzenediol" + ] + }, + { + "compound_id": "C00091", + "inchi": "InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20?,24-/m1/s1", + "name": "Succinyl-CoA", + "names": [ + "Succinyl coenzyme A", + "Succinyl-CoA" + ] + }, + { + "compound_id": "C00092", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1", + "name": "D-Glucose 6-phosphate", + "names": [ + "D-Glucose 6-phosphate", + "D-glucose 6-phosphate-2-", + "Glucose 6-phosphate", + "Robison ester", + "d-glucose 6-phosphate-2-" + ] + }, + { + "compound_id": "C00093", + "inchi": "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1", + "name": "sn-Glycerol 3-phosphate", + "names": [ + "D-Glycerol 1-phosphate", + "Glycerol-3-phosphate", + "Glycerophosphoric acid", + "L--glycerophosphate(aq)", + "sn-Glycerol 3-phosphate" + ] + }, + { + "compound_id": "C00094", + "inchi": "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)", + "name": "Sulfite", + "names": [ + "Sulfite", + "Sulfurous acid" + ] + }, + { + "compound_id": "C00095", + "inchi": "InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1", + "name": "D-Fructose", + "names": [ + "D-Fructose", + "D-arabino-Hexulose", + "Fruit sugar", + "Levulose" + ] + }, + { + "compound_id": "C00096", + "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1", + "name": "GDP-mannose", + "names": [ + "GDP-D-mannose", + "GDP-mannose", + "GDPmannose", + "gdpmannose" + ] + }, + { + "compound_id": "C00097", + "inchi": "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1", + "name": "L-Cysteine", + "names": [ + "L-2-Amino-3-mercaptopropionic acid", + "L-Cysteine" + ] + }, + { + "compound_id": "C00098", + "inchi": null, + "name": "Oligopeptide", + "names": [ + "Oligopeptide" + ] + }, + { + "compound_id": "C00099", + "inchi": "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)", + "name": "beta-Alanine", + "names": [ + "3-Aminopropanoate", + "3-Aminopropionic acid", + "beta-Alanine" + ] + }, + { + "compound_id": "C00100", + "inchi": "InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1", + "name": "Propanoyl-CoA", + "names": [ + "Propanonyl-coa", + "Propanoyl-CoA", + "Propionyl coenzyme A", + "Propionyl-CoA", + "propanonyl-coa" + ] + }, + { + "compound_id": "C00101", + "inchi": "InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1", + "name": "Tetrahydrofolate", + "names": [ + "(6S)-THFA", + "(6S)-Tetrahydrofolate", + "(6S)-Tetrahydrofolic acid", + "5,6,7,8-Tetrahydrofolate", + "THF", + "Tetrahydrofolate", + "Tetrahydrofolic acid" + ] + }, + { + "compound_id": "C00102", + "inchi": "InChI=1S/C12H7Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,16H", + "name": "2,6-Dichloroindophenol", + "names": [ + "2,6-Dichloroindophenol", + "2,6-Dichlorophenolindophenol", + "DCIP" + ] + }, + { + "compound_id": "C00103", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1", + "name": "D-Glucose 1-phosphate", + "names": [ + "Cori ester", + "D-Glucose 1-phosphate", + "D-Glucose alpha-1-phosphate", + "Glucose 1-phosphate", + "alpha-D-Glucose 1-phosphate", + "glucose 1-phosphate" + ] + }, + { + "compound_id": "C00104", + "inchi": "InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "IDP", + "names": [ + "IDP", + "Inosine 5'-diphosphate", + "Inosine diphosphate" + ] + }, + { + "compound_id": "C00105", + "inchi": "InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "UMP", + "names": [ + "5'Uridylic acid", + "UMP", + "Uridine 5'-monophosphate", + "Uridine monophosphate", + "Uridylic acid" + ] + }, + { + "compound_id": "C00106", + "inchi": "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)", + "name": "Uracil", + "names": [ + "Uracil" + ] + }, + { + "compound_id": "C00107", + "inchi": null, + "name": "Dipeptide", + "names": [ + "Dipeptide" + ] + }, + { + "compound_id": "C00108", + "inchi": "InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)", + "name": "Anthranilate", + "names": [ + "2-Aminobenzoate", + "2-aminobenzoic acid", + "Anthranilate", + "Anthranilic acid", + "Vitamin L1", + "o-Aminobenzoic acid" + ] + }, + { + "compound_id": "C00109", + "inchi": "InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)", + "name": "2-Oxobutanoate", + "names": [ + "2-Ketobutyric acid", + "2-Oxobutanoate", + "2-Oxobutanoic acid", + "2-Oxobutyrate", + "2-Oxobutyric acid", + "alpha-Ketobutyrate", + "alpha-Ketobutyric acid" + ] + }, + { + "compound_id": "C00110", + "inchi": "InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/b22-13+,23-15+,24-17-", + "name": "Dolichyl phosphate", + "names": [ + "Dolichol phosphate", + "Dolichyl phosphate" + ] + }, + { + "compound_id": "C00111", + "inchi": "InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)", + "name": "Glycerone phosphate", + "names": [ + "Dihydroxyacetone phosphate", + "Glycerone phosphate" + ] + }, + { + "compound_id": "C00112", + "inchi": "InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "CDP", + "names": [ + "CDP", + "Cytidine 5'-diphosphate", + "Cytidine diphosphate" + ] + }, + { + "compound_id": "C00113", + "inchi": "InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)", + "name": "PQQ", + "names": [ + "4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate", + "Methoxatin", + "PQQ", + "Pyrrolo-quinoline quinone", + "Pyrroloquinoline quinone", + "Pyrroloquinoline-quinone" + ] + }, + { + "compound_id": "C00114", + "inchi": "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1", + "name": "Choline", + "names": [ + "Bilineurine", + "Choline" + ] + }, + { + "compound_id": "C00116", + "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2", + "name": "Glycerol", + "names": [ + "1,2,3-Propanetriol", + "1,2,3-Trihydroxypropane", + "Glycerin", + "Glycerol" + ] + }, + { + "compound_id": "C00117", + "inchi": "InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5?/m1/s1", + "name": "D-Ribose 5-phosphate", + "names": [ + "D-Ribose 5-phosphate", + "Ribose 5-phosphate" + ] + }, + { + "compound_id": "C00118", + "inchi": "InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1", + "name": "D-Glyceraldehyde 3-phosphate", + "names": [ + "(2R)-2-Hydroxy-3-(phosphonooxy)-propanal", + "D-Glyceraldehyde 3-phosphate", + "Glyceraldehyde 3-phosphate", + "d-glyceraldehyde-3-phosphate" + ] + }, + { + "compound_id": "C00119", + "inchi": "InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1", + "name": "5-Phospho-alpha-D-ribose 1-diphosphate", + "names": [ + "5-Phospho-alpha-D-ribose 1-diphosphate", + "5-Phosphoribosyl 1-pyrophosphate", + "5-Phosphoribosyl diphosphate", + "5-phospho--d-ribose 1-diphosphate", + "PRPP" + ] + }, + { + "compound_id": "C00120", + "inchi": "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1", + "name": "Biotin", + "names": [ + "Biotin", + "Coenzyme R", + "D-Biotin", + "Vitamin H" + ] + }, + { + "compound_id": "C00121", + "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1", + "name": "D-Ribose", + "names": [ + "D-Ribose" + ] + }, + { + "compound_id": "C00122", + "inchi": "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+", + "name": "Fumarate", + "names": [ + "Fumarate", + "Fumaric acid", + "trans-Butenedioic acid" + ] + }, + { + "compound_id": "C00123", + "inchi": "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1", + "name": "L-Leucine", + "names": [ + "(2S)-alpha-2-Amino-4-methylvaleric acid", + "(2S)-alpha-Leucine", + "2-Amino-4-methylvaleric acid", + "L-Leucine" + ] + }, + { + "compound_id": "C00124", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1", + "name": "D-Galactose", + "names": [ + "D-Galactose" + ] + }, + { + "compound_id": "C00125", + "inchi": null, + "name": "Ferricytochrome c", + "names": [ + "Cytochrome c3+", + "Ferricytochrome c", + "cytochrome c" + ] + }, + { + "compound_id": "C00126", + "inchi": null, + "name": "Ferrocytochrome c", + "names": [ + "Cytochrome c2+", + "Ferrocytochrome c", + "Reduced cytochrome c", + "reduced cytochrome c" + ] + }, + { + "compound_id": "C00127", + "inchi": "InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1", + "name": "Glutathione disulfide", + "names": [ + "GSSG", + "Glutathione disulfide", + "Oxidized glutathione", + "Oxiglutatione", + "glutathoine(ox)" + ] + }, + { + "compound_id": "C00128", + "inchi": "InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1", + "name": "CMP-N-acetylneuraminate", + "names": [ + "CMP-N-acetylneuraminate" + ] + }, + { + "compound_id": "C00129", + "inchi": "InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)", + "name": "Isopentenyl diphosphate", + "names": [ + "Isopentenyl diphosphate", + "delta3-Isopentenyl diphosphate", + "delta3-Methyl-3-butenyl diphosphate" + ] + }, + { + "compound_id": "C00130", + "inchi": "InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "IMP", + "names": [ + "5'-IMP", + "5'-Inosinate", + "5'-Inosine monophosphate", + "5'-Inosinic acid", + "IMP", + "Inosine 5'-monophosphate", + "Inosine 5'-phosphate", + "Inosine monophosphate", + "Inosinic acid" + ] + }, + { + "compound_id": "C00131", + "inchi": "InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1", + "name": "dATP", + "names": [ + "2'-Deoxyadenosine 5'-triphosphate", + "Deoxyadenosine 5'-triphosphate", + "Deoxyadenosine triphosphate", + "dATP" + ] + }, + { + "compound_id": "C00132", + "inchi": "InChI=1S/CH4O/c1-2/h2H,1H3", + "name": "Methanol", + "names": [ + "Methanol", + "Methyl alcohol" + ] + }, + { + "compound_id": "C00133", + "inchi": "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1", + "name": "D-Alanine", + "names": [ + "D-2-Aminopropionic acid", + "D-Ala", + "D-Alanine" + ] + }, + { + "compound_id": "C00134", + "inchi": "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2", + "name": "Putrescine", + "names": [ + "1,4-Butanediamine", + "1,4-Diaminobutane", + "Butane-1,4-diamine", + "Putrescine", + "Tetramethylenediamine" + ] + }, + { + "compound_id": "C00135", + "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1", + "name": "L-Histidine", + "names": [ + "(S)-alpha-Amino-1H-imidazole-4-propionic acid", + "L-Histidine" + ] + }, + { + "compound_id": "C00136", + "inchi": "InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1", + "name": "Butanoyl-CoA", + "names": [ + "Butanoyl-CoA", + "Butyryl-CoA" + ] + }, + { + "compound_id": "C00137", + "inchi": "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-", + "name": "myo-Inositol", + "names": [ + "1D-myo-Inositol", + "1L-myo-Inositol", + "Bios I", + "Cyclohexitol", + "D-myo-Inositol", + "Dambose", + "Inositol", + "L-myo-Inositol", + "Meat sugar", + "meso-Inositol", + "myo-Inositol" + ] + }, + { + "compound_id": "C00138", + "inchi": "InChI=1S/Fe/q+2", + "name": "Reduced ferredoxin", + "names": [ + "Ferredoxin(red)", + "Reduced ferredoxin", + "ferredoxin(red)" + ] + }, + { + "compound_id": "C00139", + "inchi": "InChI=1S/Fe/q+3", + "name": "Oxidized ferredoxin", + "names": [ + "Ferredoxin(ox)", + "Oxidized ferredoxin", + "ferredoxin(ox)" + ] + }, + { + "compound_id": "C00140", + "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1", + "name": "N-Acetyl-D-glucosamine", + "names": [ + "2-Acetamido-2-deoxy-D-glucose", + "GlcNAc", + "N-Acetyl-D-glucosamine", + "N-Acetylchitosamine" + ] + }, + { + "compound_id": "C00141", + "inchi": "InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)", + "name": "3-Methyl-2-oxobutanoic acid", + "names": [ + "2-Keto-3-methylbutyric acid", + "2-Ketoisovalerate", + "2-Ketovaline", + "2-Oxo-3-methylbutanoate", + "2-Oxoisopentanoate", + "2-Oxoisovalerate", + "3-Methyl-2-oxobutanoate", + "3-Methyl-2-oxobutanoic acid", + "3-Methyl-2-oxobutyric acid", + "alpha-Ketovaline" + ] + }, + { + "compound_id": "C00143", + "inchi": "InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13?/m1/s1", + "name": "5,10-Methylenetetrahydrofolate", + "names": [ + "(6R)-5,10-Methylenetetrahydrofolate", + "5,10-Methylene-THF", + "5,10-Methylenetetrahydrofolate" + ] + }, + { + "compound_id": "C00144", + "inchi": "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", + "name": "GMP", + "names": [ + "GMP", + "Guanosine 5 '-phosphate", + "Guanosine 5'-monophosphate", + "Guanosine 5'-phosphate", + "Guanosine monophosphate", + "Guanylic acid", + "guanosine 5 '-phosphate" + ] + }, + { + "compound_id": "C00145", + "inchi": null, + "name": "Thiol", + "names": [ + "Mercaptan", + "Thiol" + ] + }, + { + "compound_id": "C00146", + "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H", + "name": "Phenol", + "names": [ + "Benzenol", + "Hydroxybenzene", + "Phenic acid", + "Phenol", + "Phenylic acid" + ] + }, + { + "compound_id": "C00147", + "inchi": "InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)", + "name": "Adenine", + "names": [ + "6-Aminopurine", + "Adenine" + ] + }, + { + "compound_id": "C00148", + "inchi": "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1", + "name": "L-Proline", + "names": [ + "(S)-Proline", + "(s)-proline", + "2-Pyrrolidinecarboxylic acid", + "L-Proline" + ] + }, + { + "compound_id": "C00149", + "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1", + "name": "(S)-Malate", + "names": [ + "(S)-Malate", + "L-2-Hydroxybutanedioic acid", + "L-Apple acid", + "L-Malate", + "L-Malic acid", + "Malate", + "Malic acid" + ] + }, + { + "compound_id": "C00150", + "inchi": "InChI=1S/Mo", + "name": "Molybdenum", + "names": [ + "Molybdenum" + ] + }, + { + "compound_id": "C00151", + "inchi": null, + "name": "L-Amino acid", + "names": [ + "L-2-Amino acid", + "L-Amino acid" + ] + }, + { + "compound_id": "C00152", + "inchi": "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1", + "name": "L-Asparagine", + "names": [ + "2-Aminosuccinamic acid", + "L-Asparagine" + ] + }, + { + "compound_id": "C00153", + "inchi": "InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)", + "name": "Nicotinamide", + "names": [ + "Niacinamide", + "Nicotinamide", + "Nicotinic acid amide", + "Vitamin PP" + ] + }, + { + "compound_id": "C00154", + "inchi": "InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32?,36-/m1/s1", + "name": "Palmitoyl-CoA", + "names": [ + "Hexadecanoyl-CoA", + "Palmitoyl-CoA" + ] + }, + { + "compound_id": "C00155", + "inchi": "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1", + "name": "L-Homocysteine", + "names": [ + "L-2-Amino-4-mercaptobutyric acid", + "L-Homocysteine" + ] + }, + { + "compound_id": "C00156", + "inchi": "InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)", + "name": "4-Hydroxybenzoate", + "names": [ + "4-Hydroxybenzoate", + "4-Hydroxybenzoic acid", + "Hydroxybenzenecarboxylic acid", + "Hydroxybenzoic acid" + ] + }, + { + "compound_id": "C00157", + "inchi": null, + "name": "Phosphatidylcholine", + "names": [ + "1,2-Diacyl-sn-glycero-3-phosphocholine", + "3-sn-Phosphatidylcholine", + "Choline phosphatide", + "Lecithin", + "Phosphatidyl-N-trimethylethanolamine", + "Phosphatidylcholine" + ] + }, + { + "compound_id": "C00158", + "inchi": "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)", + "name": "Citrate", + "names": [ + "2-Hydroxy-1,2,3-propanetricarboxylic acid", + "2-Hydroxytricarballylic acid", + "Citrate", + "Citric acid" + ] + }, + { + "compound_id": "C00159", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1", + "name": "D-Mannose", + "names": [ + "Carubinose", + "D-Mannose", + "Mannose", + "Seminose" + ] + }, + { + "compound_id": "C00160", + "inchi": "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)", + "name": "Glycolate", + "names": [ + "Glycolate", + "Glycolic acid", + "Hydroxyacetic acid" + ] + }, + { + "compound_id": "C00161", + "inchi": null, + "name": "2-Oxo acid", + "names": [ + "2-Oxo acid", + "2-Oxocarboxylate" + ] + }, + { + "compound_id": "C00162", + "inchi": null, + "name": "Fatty acid", + "names": [ + "Fatty acid" + ] + }, + { + "compound_id": "C00163", + "inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)", + "name": "Propanoate", + "names": [ + "Propanoate", + "Propanoic acid", + "Propionate", + "Propionic acid" + ] + }, + { + "compound_id": "C00164", + "inchi": "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)", + "name": "Acetoacetate", + "names": [ + "3-Oxobutanoate", + "3-Oxobutanoic acid", + "3-oxobutanoate", + "Acetoacetate", + "Acetoacetic acid", + "beta-Ketobutyric acid" + ] + }, + { + "compound_id": "C00165", + "inchi": null, + "name": "Diacylglycerol", + "names": [ + "Diacylglycerol", + "Diglyceride" + ] + }, + { + "compound_id": "C00166", + "inchi": "InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)", + "name": "Phenylpyruvate", + "names": [ + "3-Phenyl-2-oxopropanoate", + "Phenylpyruvate", + "Phenylpyruvic acid", + "alpha-Ketohydrocinnamic acid", + "keto-Phenylpyruvate" + ] + }, + { + "compound_id": "C00167", + "inchi": "InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1", + "name": "UDP-glucuronate", + "names": [ + "UDP-D-glucuronate", + "UDP-alpha-D-glucuronate", + "UDP-glucuronate", + "UDPglucuronate" + ] + }, + { + "compound_id": "C00168", + "inchi": "InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)", + "name": "Hydroxypyruvate", + "names": [ + "3-Hydroxypyruvate", + "3-Hydroxypyruvic acid", + "Hydroxypyruvate", + "Hydroxypyruvic acid" + ] + }, + { + "compound_id": "C00169", + "inchi": "InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)", + "name": "Carbamoyl phosphate", + "names": [ + "Carbamoyl phosphate" + ] + }, + { + "compound_id": "C00170", + "inchi": "InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1", + "name": "5'-Methylthioadenosine", + "names": [ + "5 '-methylthioadenosine", + "5'-Deoxy-5'-(methylthio)adenosine", + "5'-Methylthioadenosine", + "5-Methylthioadenosine", + "MTA", + "Methylthioadenosine", + "S-Methyl-5'-thioadenosine", + "Thiomethyladenosine" + ] + }, + { + "compound_id": "C00171", + "inchi": null, + "name": "5'-Phosphomononucleotide", + "names": [ + "5'-Phosphomononucleotide" + ] + }, + { + "compound_id": "C00172", + "inchi": null, + "name": "3'-Phosphooligonucleotide", + "names": [ + "3'-Phosphooligonucleotide" + ] + }, + { + "compound_id": "C00173", + "inchi": null, + "name": "Acyl-[acyl-carrier protein]", + "names": [ + "Acyl-[acyl-carrier protein]", + "Long-chain-acyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C00174", + "inchi": null, + "name": "Acid", + "names": [ + "Acid" + ] + }, + { + "compound_id": "C00175", + "inchi": "InChI=1S/Co/q+2", + "name": "Cobalt ion", + "names": [ + "Co(II)", + "Co2+", + "Cobalt ion", + "Cobalt(2+)" + ] + }, + { + "compound_id": "C00176", + "inchi": null, + "name": "Flavin", + "names": [ + "Flavin" + ] + }, + { + "compound_id": "C00177", + "inchi": "InChI=1S/CN/c1-2/q-1", + "name": "Cyanide", + "names": [ + "CN-", + "Cyanide", + "Cyano", + "Prussiate" + ] + }, + { + "compound_id": "C00178", + "inchi": "InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)", + "name": "Thymine", + "names": [ + "5-Methyluracil", + "Thymine" + ] + }, + { + "compound_id": "C00179", + "inchi": "InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)", + "name": "Agmatine", + "names": [ + "(4-Aminobutyl) guanidine", + "Agmatine" + ] + }, + { + "compound_id": "C00180", + "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)", + "name": "Benzoate", + "names": [ + "Benzenecarboxylic acid", + "Benzoate", + "Benzoic acid", + "Dracylic acid", + "Phenylformic acid" + ] + }, + { + "compound_id": "C00181", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1", + "name": "D-Xylose", + "names": [ + "D-Xylose", + "Wood sugar" + ] + }, + { + "compound_id": "C00182", + "inchi": "InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1", + "name": "Glycogen", + "names": [ + "Glycogen" + ] + }, + { + "compound_id": "C00183", + "inchi": "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1", + "name": "L-Valine", + "names": [ + "2-Amino-3-methylbutyric acid", + "L-Valine" + ] + }, + { + "compound_id": "C00184", + "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2", + "name": "Glycerone", + "names": [ + "1,3-Dihydroxy-2-propanone", + "1,3-Dihydroxyacetone", + "1,3-Dihydroxypropan-2-one", + "Dihydroxyacetone", + "Glycerone" + ] + }, + { + "compound_id": "C00185", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,11?,12?/m1/s1", + "name": "Cellobiose", + "names": [ + "1-beta-D-Glucopyranosyl-4-D-glucopyranose", + "Cellobiose" + ] + }, + { + "compound_id": "C00186", + "inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1", + "name": "(S)-Lactate", + "names": [ + "(S)-Lactate", + "L-Lactate", + "L-Lactic acid" + ] + }, + { + "compound_id": "C00187", + "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Cholesterol", + "names": [ + "Cholest-5-en-3beta-ol", + "Cholesterol" + ] + }, + { + "compound_id": "C00188", + "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1", + "name": "L-Threonine", + "names": [ + "2-Amino-3-hydroxybutyric acid", + "L-Threonine" + ] + }, + { + "compound_id": "C00189", + "inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2", + "name": "Ethanolamine", + "names": [ + "2-Hydroxyethylamine", + "Aminoethanol", + "Ethanolamine" + ] + }, + { + "compound_id": "C00190", + "inchi": "InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12?,13-/m1/s1", + "name": "UDP-D-xylose", + "names": [ + "UDP-D-xylose", + "UDP-alpha-D-xylose", + "UDP-xylose" + ] + }, + { + "compound_id": "C00191", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1", + "name": "D-Glucuronate", + "names": [ + "D-Glucuronate", + "Glucuronate", + "Glucuronic acid" + ] + }, + { + "compound_id": "C00192", + "inchi": "InChI=1S/H3NO/c1-2/h2H,1H2", + "name": "Hydroxylamine", + "names": [ + "Hydroxylamine" + ] + }, + { + "compound_id": "C00193", + "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H", + "name": "Aromatic aldehyde", + "names": [ + "Aromatic aldehyde" + ] + }, + { + "compound_id": "C00194", + "inchi": "InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1", + "name": "Cobamide coenzyme", + "names": [ + "(5'-Deoxy-5'-adenosyl)cobamide coenzyme", + "(5,6-Dimethylbenzimidazolyl)cobamide coenzyme", + "5'-Deoxy-5'-adenosyl vitamin B12", + "5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide", + "5'-Deoxy-5'-adenosylcobalamin", + "5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide", + "5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide", + "Adenosylcob(III)alamin", + "Adenosylcobalamin", + "Calomide", + "Cobalamin coenzyme", + "Cobamamide", + "Cobamide coenzyme", + "Coenzyme B12", + "DMBC coenzyme", + "Deoxyadenosylcobalamin", + "Dibencozide", + "Funacomide", + "Vitamin B12 coenzyme", + "alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme" + ] + }, + { + "compound_id": "C00195", + "inchi": null, + "name": "N-Acylsphingosine", + "names": [ + "Ceramide", + "N-Acylsphingosine" + ] + }, + { + "compound_id": "C00196", + "inchi": "InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)", + "name": "2,3-Dihydroxybenzoate", + "names": [ + "2,3-Dihydroxybenzoate", + "2,3-Dihydroxybenzoic acid" + ] + }, + { + "compound_id": "C00197", + "inchi": "InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1", + "name": "3-Phospho-D-glycerate", + "names": [ + "(r)-3-Phosphoglycerate", + "(r)-3-phosphoglycerate", + "3-Phospho-(R)-glycerate", + "3-Phospho-D-glycerate", + "3-Phosphoglycerate", + "D-Glycerate 3-phosphate" + ] + }, + { + "compound_id": "C00198", + "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1", + "name": "D-Glucono-1,5-lactone", + "names": [ + "1,5-Gluconolactone", + "D-Glucono-1,5-lactone", + "D-Gluconolactone", + "Gluconic acid lactone", + "Gluconic lactone", + "Gluconolactone", + "delta-Gluconolactone" + ] + }, + { + "compound_id": "C00199", + "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1", + "name": "D-Ribulose 5-phosphate", + "names": [ + "D-Ribulose 5-phosphate" + ] + }, + { + "compound_id": "C00200", + "inchi": "InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1", + "name": "Phenazine methosulfate", + "names": [ + "5-Methylphenazinium methyl sulphate", + "N-Methylphenazonium methosulfate", + "Phenazine methosulfate" + ] + }, + { + "compound_id": "C00201", + "inchi": null, + "name": "Nucleoside triphosphate", + "names": [ + "NTP", + "Nucleoside triphosphate" + ] + }, + { + "compound_id": "C00202", + "inchi": "InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3", + "name": "Isoflurophate", + "names": [ + "DFP", + "Diisopropyl fluorophosphate", + "Isoflurophate" + ] + }, + { + "compound_id": "C00203", + "inchi": "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15?,16-/m1/s1", + "name": "UDP-N-acetyl-D-galactosamine", + "names": [ + "UDP-N-acetyl-D-galactosamine" + ] + }, + { + "compound_id": "C00204", + "inchi": "InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1", + "name": "2-Dehydro-3-deoxy-D-gluconate", + "names": [ + "2-Dehydro-3-deoxy-D-gluconate", + "2-Keto-3-deoxy-D-gluconate", + "2-oxo-3-deoxy-d-gluconate" + ] + }, + { + "compound_id": "C00205", + "inchi": null, + "name": "hn", + "names": [ + "Light", + "Photon", + "hn", + "hnu" + ] + }, + { + "compound_id": "C00206", + "inchi": "InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1", + "name": "dADP", + "names": [ + "2'-Deoxyadenosine 5'-diphosphate", + "dADP", + "dadp" + ] + }, + { + "compound_id": "C00207", + "inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3", + "name": "Acetone", + "names": [ + "2-Propanone", + "Acetone", + "Dimethyl ketone" + ] + }, + { + "compound_id": "C00208", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1", + "name": "Maltose", + "names": [ + "Malt sugar", + "Maltose", + "alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose" + ] + }, + { + "compound_id": "C00209", + "inchi": "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)", + "name": "Oxalate", + "names": [ + "Ethanedioic acid", + "Oxalate", + "Oxalic acid" + ] + }, + { + "compound_id": "C00210", + "inchi": "InChI=1S/C53H82N11O15P.Co/c1-24(78-80(75,76)79-44-32(23-65)77-48(74)43(44)73)22-60-40(72)16-17-50(6)30(18-37(57)69)47-53(9)52(8,21-39(59)71)29(12-15-36(56)68)42(64-53)26(3)46-51(7,20-38(58)70)27(10-13-34(54)66)31(61-46)19-33-49(4,5)28(11-14-35(55)67)41(62-33)25(2)45(50)63-47;/h19,24,27-30,32,43-44,47-48,65,73-74H,10-18,20-23H2,1-9H3,(H15,54,55,56,57,58,59,60,61,62,63,64,66,67,68,69,70,71,72,75,76);/q;+3/p-2/t24-,27-,28-,29-,30+,32-,43-,44-,47?,48+,50-,51+,52+,53+;/m1./s1", + "name": "Cobamide", + "names": [ + "Cobamide" + ] + }, + { + "compound_id": "C00211", + "inchi": null, + "name": "Collagen", + "names": [ + "Collagen" + ] + }, + { + "compound_id": "C00212", + "inchi": "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine", + "names": [ + "Adenosine" + ] + }, + { + "compound_id": "C00213", + "inchi": "InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)", + "name": "Sarcosine", + "names": [ + "N-Methylglycine", + "Sarcosine" + ] + }, + { + "compound_id": "C00214", + "inchi": "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1", + "name": "Thymidine", + "names": [ + "Deoxythymidine", + "Thymidine" + ] + }, + { + "compound_id": "C00215", + "inchi": null, + "name": "Nucleotide", + "names": [ + "Nucleotide" + ] + }, + { + "compound_id": "C00216", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m1/s1", + "name": "D-Arabinose", + "names": [ + "D-Arabinose" + ] + }, + { + "compound_id": "C00217", + "inchi": "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1", + "name": "D-Glutamate", + "names": [ + "D-2-Aminoglutaric acid", + "D-Glutamate", + "D-Glutamic acid", + "D-Glutaminic acid" + ] + }, + { + "compound_id": "C00218", + "inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3", + "name": "Methylamine", + "names": [ + "Methanamine", + "Methylamine" + ] + }, + { + "compound_id": "C00219", + "inchi": "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-", + "name": "(5Z,8Z,11Z,14Z)-Icosatetraenoic acid", + "names": [ + "(5Z,8Z,11Z,14Z)-Icosatetraenoic acid", + "Arachidonate", + "Arachidonic acid", + "cis-5,8,11,14-Eicosatetraenoic acid" + ] + }, + { + "compound_id": "C00220", + "inchi": "InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1", + "name": "Methylene blue", + "names": [ + "Methylene blue", + "Methylthioninium chloride" + ] + }, + { + "compound_id": "C00221", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1", + "name": "beta-D-Glucose", + "names": [ + "beta-D-Glucose" + ] + }, + { + "compound_id": "C00222", + "inchi": "InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)", + "name": "3-Oxopropanoate", + "names": [ + "3-Oxopropanoate", + "Malonate semialdehyde" + ] + }, + { + "compound_id": "C00223", + "inchi": "InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+/t19-,23-,24-,25?,29-/m1/s1", + "name": "p-Coumaroyl-CoA", + "names": [ + "4-Coumaroyl-CoA", + "4-Hydroxycinnamoyl-CoA", + "p-Coumaroyl-CoA" + ] + }, + { + "compound_id": "C00224", + "inchi": "InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1", + "name": "Adenylyl sulfate", + "names": [ + "5'-Adenylyl sulfate", + "APS", + "Adenosine 5'-phosphosulfate", + "Adenylyl sulfate", + "adenylylsulfate" + ] + }, + { + "compound_id": "C00225", + "inchi": "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2", + "name": "oxidized Methyl viologen", + "names": [ + "oxidized Methyl viologen" + ] + }, + { + "compound_id": "C00226", + "inchi": null, + "name": "Primary alcohol", + "names": [ + "1-Alcohol", + "Primary alcohol" + ] + }, + { + "compound_id": "C00227", + "inchi": "InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)", + "name": "Acetyl phosphate", + "names": [ + "Acetyl phosphate", + "acetyl phosphate-2-" + ] + }, + { + "compound_id": "C00229", + "inchi": null, + "name": "Acyl-carrier protein", + "names": [ + "ACP", + "Acyl-carrier protein", + "Holo-[acyl-carrier protein]", + "[Acyl-carrier protein]" + ] + }, + { + "compound_id": "C00230", + "inchi": "InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)", + "name": "3,4-Dihydroxybenzoate", + "names": [ + "3,4-Dihydroxybenzoate", + "3,4-Dihydroxybenzoic acid", + "Protocatechuate", + "Protocatechuic acid" + ] + }, + { + "compound_id": "C00231", + "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1", + "name": "D-Xylulose 5-phosphate", + "names": [ + "D-Xylulose 5-phosphate" + ] + }, + { + "compound_id": "C00232", + "inchi": "InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)", + "name": "Succinate semialdehyde", + "names": [ + "4-Oxobutanoate", + "Succinate semialdehyde", + "Succinic semialdehyde" + ] + }, + { + "compound_id": "C00233", + "inchi": "InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)", + "name": "4-Methyl-2-oxopentanoate", + "names": [ + "2-Oxoisocaproate", + "4-Methyl-2-oxopentanoate", + "4-methyl-2-oxopentanooate" + ] + }, + { + "compound_id": "C00234", + "inchi": "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t11?,13-/m0/s1", + "name": "10-Formyltetrahydrofolate", + "names": [ + "10-Formyl-THF", + "10-Formyltetrahydrofolate" + ] + }, + { + "compound_id": "C00235", + "inchi": "InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)", + "name": "Dimethylallyl diphosphate", + "names": [ + "2-Isopentenyl diphosphate", + "DMAPP", + "Dimethylallyl diphosphate", + "Dimethylallyl pyrophosphate", + "Monoprenyl diphosphate", + "Prenyl diphosphate", + "delta2-Isopentenyl diphosphate" + ] + }, + { + "compound_id": "C00236", + "inchi": "InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1", + "name": "3-Phospho-D-glyceroyl phosphate", + "names": [ + "(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid", + "1,3-Bisphospho-D-glycerate", + "3-Phospho-D-glyceroyl phosphate" + ] + }, + { + "compound_id": "C00237", + "inchi": "InChI=1S/CO/c1-2", + "name": "CO", + "names": [ + "CO", + "Carbon monoxide" + ] + }, + { + "compound_id": "C00238", + "inchi": "InChI=1S/K/q+1", + "name": "Potassium cation", + "names": [ + "K+", + "Potassium cation", + "Potassium ion", + "Potassium(1+)" + ] + }, + { + "compound_id": "C00239", + "inchi": "InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", + "name": "dCMP", + "names": [ + "2'-Deoxycytidine 5'-monophosphate", + "Deoxycytidine monophosphate", + "Deoxycytidylate", + "Deoxycytidylic acid", + "dCMP" + ] + }, + { + "compound_id": "C00240", + "inchi": null, + "name": "rRNA", + "names": [ + "Ribosomal RNA", + "rRNA" + ] + }, + { + "compound_id": "C00241", + "inchi": null, + "name": "Amide", + "names": [ + "Amide" + ] + }, + { + "compound_id": "C00242", + "inchi": "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)", + "name": "Guanine", + "names": [ + "2-Amino-6-hydroxypurine", + "Guanine" + ] + }, + { + "compound_id": "C00243", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10?,11?,12?/m1/s1", + "name": "Lactose", + "names": [ + "1-beta-D-Galactopyranosyl-4-D-glucopyranose", + "Lactose", + "Milk sugar", + "beta-D-Gal-(1->4)-D-Glc" + ] + }, + { + "compound_id": "C00244", + "inchi": "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)", + "name": "Nitrate", + "names": [ + "Nitrate", + "Nitric acid" + ] + }, + { + "compound_id": "C00245", + "inchi": "InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)", + "name": "Taurine", + "names": [ + "2-Aminoethanesulfonic acid", + "Aminoethylsulfonic acid", + "Taurine" + ] + }, + { + "compound_id": "C00246", + "inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)", + "name": "Butanoic acid", + "names": [ + "Butanoate", + "Butanoic acid", + "Butyrate", + "Butyric acid" + ] + }, + { + "compound_id": "C00247", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m0/s1", + "name": "L-Sorbose", + "names": [ + "L-Sorbose", + "L-xylo-Hexulose" + ] + }, + { + "compound_id": "C00248", + "inchi": "InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)", + "name": "Lipoamide", + "names": [ + "Lipoamide", + "Thioctic acid amide" + ] + }, + { + "compound_id": "C00249", + "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)", + "name": "Hexadecanoic acid", + "names": [ + "Cetylic acid", + "Hexadecanoate", + "Hexadecanoic acid", + "Hexadecylic acid", + "Palmitate", + "Palmitic acid" + ] + }, + { + "compound_id": "C00250", + "inchi": "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3", + "name": "Pyridoxal", + "names": [ + "Pyridoxal" + ] + }, + { + "compound_id": "C00251", + "inchi": "InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1", + "name": "Chorismate", + "names": [ + "Chorismate", + "Chorismic acid" + ] + }, + { + "compound_id": "C00252", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1", + "name": "Isomaltose", + "names": [ + "Brachiose", + "Isomaltose" + ] + }, + { + "compound_id": "C00253", + "inchi": "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)", + "name": "Nicotinate", + "names": [ + "3-Pyridinecarboxylic acid", + "Niacin", + "Nicotinate", + "Nicotinic acid" + ] + }, + { + "compound_id": "C00254", + "inchi": "InChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+", + "name": "Prephenate", + "names": [ + "Prephenate", + "Prephenic acid" + ] + }, + { + "compound_id": "C00255", + "inchi": "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1", + "name": "Riboflavin", + "names": [ + "7,8-Dimethyl-10-ribitylisoalloxazine", + "Lactoflavin", + "Riboflavin", + "Vitamin B2" + ] + }, + { + "compound_id": "C00256", + "inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1", + "name": "(R)-Lactate", + "names": [ + "(R)-Lactate", + "D-2-Hydroxypropanoic acid", + "D-2-Hydroxypropionic acid", + "D-Lactate", + "D-Lactic acid" + ] + }, + { + "compound_id": "C00257", + "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1", + "name": "D-Gluconic acid", + "names": [ + "D-Gluconate", + "D-Gluconic acid", + "D-gluco-Hexonic acid" + ] + }, + { + "compound_id": "C00258", + "inchi": "InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1", + "name": "D-Glycerate", + "names": [ + "(R)-Glycerate", + "D-Glycerate", + "Glycerate", + "Glyceric acid" + ] + }, + { + "compound_id": "C00259", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1", + "name": "L-Arabinose", + "names": [ + "L-Arabinopyranose", + "L-Arabinose" + ] + }, + { + "compound_id": "C00261", + "inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H", + "name": "Benzaldehyde", + "names": [ + "Benzaldehyde", + "Benzoic aldehyde" + ] + }, + { + "compound_id": "C00262", + "inchi": "InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)", + "name": "Hypoxanthine", + "names": [ + "Hypoxanthine", + "Purine-6-ol" + ] + }, + { + "compound_id": "C00263", + "inchi": "InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1", + "name": "L-Homoserine", + "names": [ + "2-Amino-4-hydroxybutyric acid", + "L-Homoserine" + ] + }, + { + "compound_id": "C00264", + "inchi": null, + "name": "3-Oxoacyl-CoA", + "names": [ + "3-Oxoacyl-CoA" + ] + }, + { + "compound_id": "C00265", + "inchi": "InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1", + "name": "Dithiothreitol", + "names": [ + "1,4-Dithiothreitol", + "DL-threo-1,4-Dimercapto-2,3-butanediol", + "Dithiothreitol", + "threo-1,4-Dimercapto-2,3-butanediol" + ] + }, + { + "compound_id": "C00266", + "inchi": "InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2", + "name": "Glycolaldehyde", + "names": [ + "Glycolaldehyde", + "Hydroxyacetaldehyde" + ] + }, + { + "compound_id": "C00267", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1", + "name": "alpha-D-Glucose", + "names": [ + "alpha-D-Glucose" + ] + }, + { + "compound_id": "C00268", + "inchi": "InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1", + "name": "Dihydrobiopterin", + "names": [ + "(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-7,8-dihydro-6H-pterin", + "6,7-Dihydrobiopterin", + "Dihydrobiopterin", + "Quinoid-dihydrobiopterin" + ] + }, + { + "compound_id": "C00269", + "inchi": null, + "name": "CDP-diacylglycerol", + "names": [ + "1,2-Diacyl-sn-glycero-3-cytidine-5'-diphosphate", + "CDP-1,2-diacylglycerol", + "CDP-diacylglycerol" + ] + }, + { + "compound_id": "C00270", + "inchi": "InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6?,7+,8-,9+,11?/m0/s1", + "name": "N-Acetylneuraminate", + "names": [ + "5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid", + "N-Acetylneuraminate", + "N-Acetylneuraminic acid", + "Neu5Ac" + ] + }, + { + "compound_id": "C00272", + "inchi": "InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1", + "name": "Tetrahydrobiopterin", + "names": [ + "2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-pteridinone", + "5,6,7,8-Tetrahydrobiopterin", + "Tetrahydrobiopterin" + ] + }, + { + "compound_id": "C00273", + "inchi": "InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h5-8,11-12H,1-2H2", + "name": "5-Dehydro-D-fructose", + "names": [ + "5-Dehydro-D-fructose" + ] + }, + { + "compound_id": "C00275", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1", + "name": "D-Mannose 6-phosphate", + "names": [ + "D-Mannose 6-phosphate" + ] + }, + { + "compound_id": "C00279", + "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1", + "name": "D-Erythrose 4-phosphate", + "names": [ + "D-Erythrose 4-phosphate", + "d-erythrose 4-phospahte" + ] + }, + { + "compound_id": "C00280", + "inchi": "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", + "name": "Androstenedione", + "names": [ + "4-Androstene-3,17-dione", + "Androst-4-ene-3,17-dione", + "Androstenedione" + ] + }, + { + "compound_id": "C00281", + "inchi": "InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1", + "name": "sedoheptulose 7-phosphate", + "names": [ + "sedoheptulose 7-phosphate" + ] + }, + { + "compound_id": "C00282", + "inchi": "InChI=1S/H2/h1H", + "name": "Hydrogen", + "names": [ + "H2", + "Hydrogen" + ] + }, + { + "compound_id": "C00283", + "inchi": "InChI=1S/H2S/h1H2", + "name": "Hydrogen sulfide", + "names": [ + "H2S", + "Hydrogen sulfide", + "Hydrogen-sulfide", + "Sulfide", + "hydrogen sulfide" + ] + }, + { + "compound_id": "C00284", + "inchi": "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)", + "name": "EDTA", + "names": [ + "EDTA", + "Edetic acid", + "Ethylenediaminetetraacetic acid" + ] + }, + { + "compound_id": "C00286", + "inchi": "InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1", + "name": "dGTP", + "names": [ + "2'-Deoxyguanosine 5'-triphosphate", + "Deoxyguanosine 5'-triphosphate", + "Deoxyguanosine triphosphate", + "dGTP" + ] + }, + { + "compound_id": "C00287", + "inchi": null, + "name": "Ester", + "names": [ + "Ester" + ] + }, + { + "compound_id": "C00288", + "inchi": "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1", + "name": "CO2(total)", + "names": [ + "CO2(total)" + ] + }, + { + "compound_id": "C00290", + "inchi": "InChI=1S/C5H11N3O2/c1-7-5(10)3-8-4(9)2-6/h2-3,6H2,1H3,(H,7,10)(H,8,9)", + "name": "Fibrin", + "names": [ + "Fibrin" + ] + }, + { + "compound_id": "C00291", + "inchi": "InChI=1S/Ni", + "name": "Nickel", + "names": [ + "Nickel" + ] + }, + { + "compound_id": "C00292", + "inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", + "name": "Aniline", + "names": [ + "Aniline", + "Arylamine", + "Benzenamine", + "Phenylamine" + ] + }, + { + "compound_id": "C00294", + "inchi": "InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1", + "name": "Inosine", + "names": [ + "Inosine" + ] + }, + { + "compound_id": "C00295", + "inchi": "InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)", + "name": "Orotate", + "names": [ + "Orotate", + "Orotic acid", + "Uracil-6-carboxylic acid" + ] + }, + { + "compound_id": "C00296", + "inchi": "InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1", + "name": "Quinate", + "names": [ + "(-)-Quinic acid", + "Chinic acid", + "Kinic acid", + "L-Quinate", + "L-Quinic acid", + "Quinate", + "Quinic acid" + ] + }, + { + "compound_id": "C00297", + "inchi": null, + "name": "Sulfide", + "names": [ + "Sulfide", + "Thioether" + ] + }, + { + "compound_id": "C00298", + "inchi": null, + "name": "Trypsin", + "names": [ + "Trypsin", + "Trypsin crystallized" + ] + }, + { + "compound_id": "C00299", + "inchi": "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1", + "name": "Uridine", + "names": [ + "Uridine" + ] + }, + { + "compound_id": "C00300", + "inchi": "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)", + "name": "Creatine", + "names": [ + "Creatine", + "Methylglycocyamine", + "alpha-Methylguanidino acetic acid" + ] + }, + { + "compound_id": "C00301", + "inchi": "InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", + "name": "ADP-ribose", + "names": [ + "ADP-D-ribose", + "ADP-ribose", + "Adenosine diphosphate ribose" + ] + }, + { + "compound_id": "C00302", + "inchi": "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)", + "name": "DL-Glutamate", + "names": [ + "2-Aminoglutaric acid", + "DL-Glutamate", + "DL-Glutaminic acid", + "Glutamate", + "Glutamic acid" + ] + }, + { + "compound_id": "C00303", + "inchi": "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)", + "name": "Glutamine", + "names": [ + "2-Aminoglutaramic acid", + "Glutamine" + ] + }, + { + "compound_id": "C00304", + "inchi": null, + "name": "Kanamycin", + "names": [ + "Kanamycin" + ] + }, + { + "compound_id": "C00305", + "inchi": "InChI=1S/Mg/q+2", + "name": "Magnesium cation", + "names": [ + "Magnesium cation", + "Magnesium ion", + "Magnesium(2+)", + "Mg2+" + ] + }, + { + "compound_id": "C00306", + "inchi": "InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1", + "name": "Bradykinin", + "names": [ + "Bradykinin" + ] + }, + { + "compound_id": "C00307", + "inchi": "InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1", + "name": "CDP-choline", + "names": [ + "CDP-choline", + "Citicoline", + "Cytidine 5'-diphosphocholine", + "cdpcholine" + ] + }, + { + "compound_id": "C00308", + "inchi": "InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1", + "name": "Canavanine", + "names": [ + "2-Amino-4-(guanidinooxy)butyric acid", + "Canavanine", + "L-Canavanine" + ] + }, + { + "compound_id": "C00309", + "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5?/m1/s1", + "name": "D-Ribulose", + "names": [ + "D-Arabinoketose", + "D-Arabinulose", + "D-Riboketose", + "D-Ribulose", + "D-erythro-2-Pentulose" + ] + }, + { + "compound_id": "C00310", + "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1", + "name": "D-Xylulose", + "names": [ + "D-Lyxulose", + "D-Xylulose", + "D-threo-Pentulose" + ] + }, + { + "compound_id": "C00311", + "inchi": "InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)", + "name": "Isocitrate", + "names": [ + "1-Hydroxypropane-1,2,3-tricarboxylic acid", + "1-Hydroxytricarballylic acid", + "Isocitrate", + "Isocitric acid" + ] + }, + { + "compound_id": "C00312", + "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m0/s1", + "name": "L-Xylulose", + "names": [ + "L-Lyxulose", + "L-Xylulose", + "L-threo-Pentulose" + ] + }, + { + "compound_id": "C00313", + "inchi": "InChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t11-,14-,15-,16?,20-/m1/s1", + "name": "Oxalyl-CoA", + "names": [ + "Oxalyl-CoA" + ] + }, + { + "compound_id": "C00314", + "inchi": "InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3", + "name": "Pyridoxine", + "names": [ + "Pyridoxine", + "Pyridoxol" + ] + }, + { + "compound_id": "C00315", + "inchi": "InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2", + "name": "Spermidine", + "names": [ + "N-(3-Aminopropyl)-1,4-butane-diamine", + "Spermidine" + ] + }, + { + "compound_id": "C00317", + "inchi": "InChI=1S/C30H52O26/c31-1-6-11(35)13(37)19(43)28(50-6)55-24-9(4-34)52-27(21(45)16(24)40)48-5-10-25(56-29-20(44)14(38)12(36)7(2-32)51-29)17(41)22(46)30(53-10)54-23-8(3-33)49-26(47)18(42)15(23)39/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-/m1/s1", + "name": "Amylopectin", + "names": [ + "Amylopectin" + ] + }, + { + "compound_id": "C00318", + "inchi": "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1", + "name": "L-Carnitine", + "names": [ + "(R)-Carnitine", + "3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt", + "L-Carnitine", + "L-gamma-Trimethyl-beta-hydroxybutyrobetaine", + "Levocarnitine", + "Vitamin BT" + ] + }, + { + "compound_id": "C00319", + "inchi": "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1", + "name": "Sphingosine", + "names": [ + "Sphing-4-enine", + "Sphingenine", + "Sphingoid", + "Sphingosine" + ] + }, + { + "compound_id": "C00320", + "inchi": "InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-1", + "name": "Thiosulfate", + "names": [ + "Hyposulfite", + "Thiosulfate" + ] + }, + { + "compound_id": "C00322", + "inchi": "InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)", + "name": "2-Oxoadipate", + "names": [ + "2-Oxoadipate", + "2-Oxoadipic acid" + ] + }, + { + "compound_id": "C00323", + "inchi": "InChI=1S/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/b6-4+/t19-,23-,24-,25?,29-/m1/s1", + "name": "Caffeoyl-CoA", + "names": [ + "Caffeoyl-CoA" + ] + }, + { + "compound_id": "C00324", + "inchi": "InChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-3", + "name": "Ferricyanide", + "names": [ + "Ferricyanide", + "Hexacyanoferrate(III)" + ] + }, + { + "compound_id": "C00325", + "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1", + "name": "GDP-L-fucose", + "names": [ + "GDP-L-fucose", + "GDP-beta-L-fucose" + ] + }, + { + "compound_id": "C00326", + "inchi": null, + "name": "Glycoprotein", + "names": [ + "Glycoprotein" + ] + }, + { + "compound_id": "C00327", + "inchi": "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1", + "name": "L-Citrulline", + "names": [ + "2-Amino-5-ureidovaleric acid", + "Citrulline", + "L-Citrulline" + ] + }, + { + "compound_id": "C00328", + "inchi": "InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1", + "name": "L-Kynurenine", + "names": [ + "3-Anthraniloyl-L-alanine", + "L-Kynurenine" + ] + }, + { + "compound_id": "C00329", + "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1", + "name": "D-Glucosamine", + "names": [ + "2-Amino-2-deoxy-D-glucose", + "Chitosamine", + "D-Glucosamine" + ] + }, + { + "compound_id": "C00330", + "inchi": "InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1", + "name": "Deoxyguanosine", + "names": [ + "2'-Deoxyguanosine", + "Deoxyguanosine" + ] + }, + { + "compound_id": "C00331", + "inchi": "InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)", + "name": "Indolepyruvate", + "names": [ + "(Indol-3-yl)pyruvate", + "3-(Indol-3-yl)pyruvate", + "Indole-3-pyruvate", + "Indolepyruvate", + "Indolepyruvic acid" + ] + }, + { + "compound_id": "C00332", + "inchi": "InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", + "name": "Acetoacetyl-CoA", + "names": [ + "3-Acetoacetyl-CoA", + "3-Oxobutanoyl-coa", + "3-oxobutanoyl-coa", + "Acetoacetyl coenzyme A", + "Acetoacetyl-CoA" + ] + }, + { + "compound_id": "C00333", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6?/m0/s1", + "name": "D-Galacturonate", + "names": [ + "D-Galacturonate", + "D-Galacturonic acid" + ] + }, + { + "compound_id": "C00334", + "inchi": "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)", + "name": "4-Aminobutanoate", + "names": [ + "4-Aminobutanoate", + "4-Aminobutanoic acid", + "4-Aminobutyrate", + "4-Aminobutyric acid", + "GABA", + "gamma-Aminobutyric acid" + ] + }, + { + "compound_id": "C00337", + "inchi": "InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1", + "name": "(S)-Dihydroorotate", + "names": [ + "(S)-4,5-Dihydroorotate", + "(S)-Dihydroorotate", + "Dihydro-L-orotic acid", + "L-Dihydroorotate", + "L-Dihydroorotic acid" + ] + }, + { + "compound_id": "C00338", + "inchi": null, + "name": "Lipopolysaccharide", + "names": [ + "LPS", + "Lipopolysaccharide" + ] + }, + { + "compound_id": "C00339", + "inchi": null, + "name": "Long-chain alcohol", + "names": [ + "Long-chain alcohol" + ] + }, + { + "compound_id": "C00340", + "inchi": null, + "name": "Reduced rubredoxin", + "names": [ + "Reduced rubredoxin" + ] + }, + { + "compound_id": "C00341", + "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+", + "name": "Geranyl diphosphate", + "names": [ + "Geranyl diphosphate" + ] + }, + { + "compound_id": "C00342", + "inchi": "InChI=1S/C10H18N4O4S2/c11-7(5-20)10(18)13-1-8(16)12-2-9(17)14-6(3-15)4-19/h3,6-7,19-20H,1-2,4-5,11H2,(H,12,16)(H,13,18)(H,14,17)", + "name": "reduced thioredoxin", + "names": [ + "reduced thioredoxin" + ] + }, + { + "compound_id": "C00343", + "inchi": "InChI=1S/C10H16N4O4S2/c11-7-5-20-19-4-6(3-15)14-9(17)2-12-8(16)1-13-10(7)18/h3,6-7H,1-2,4-5,11H2,(H,12,16)(H,13,18)(H,14,17)", + "name": "oxidized thioredoxin", + "names": [ + "oxidized thioredoxin" + ] + }, + { + "compound_id": "C00344", + "inchi": null, + "name": "Phosphatidylglycerol", + "names": [ + "3(3-Phosphatidyl-)glycerol", + "3-(3-sn-Phosphatidyl)glycerol", + "Phosphatidylglycerol", + "PtdGro" + ] + }, + { + "compound_id": "C00345", + "inchi": "InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1", + "name": "6-Phospho-D-gluconate", + "names": [ + "6-Phospho-D-gluconate" + ] + }, + { + "compound_id": "C00346", + "inchi": "InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)", + "name": "Ethanolamine phosphate", + "names": [ + "Ethanolamine phosphate", + "O-Phosphoethanolamine", + "O-Phosphorylethanolamine", + "Phosphoethanolamine" + ] + }, + { + "compound_id": "C00347", + "inchi": null, + "name": "Long-chain carboxylate", + "names": [ + "Long-chain carboxylate", + "Long-chain carboxylic acid" + ] + }, + { + "compound_id": "C00348", + "inchi": "InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+", + "name": "all-trans-Undecaprenyl phosphate", + "names": [ + "all-trans-Undecaprenyl phosphate" + ] + }, + { + "compound_id": "C00349", + "inchi": "InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)", + "name": "2-Methyl-3-oxopropanoate", + "names": [ + "2-Methyl-3-oxopropanoate", + "3-Oxo-2-methylpropanoate", + "Methylmalonate semialdehyde" + ] + }, + { + "compound_id": "C00350", + "inchi": null, + "name": "Phosphatidylethanolamine", + "names": [ + "(3-Phosphatidyl)-ethanolamine", + "(3-Phosphatidyl)ethanolamine", + "1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine", + "Cephalin", + "L-1-Phosphatidylethanolamine", + "O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine", + "Phosphatidylethanolamine" + ] + }, + { + "compound_id": "C00351", + "inchi": null, + "name": "5'-Phosphooligonucleotide", + "names": [ + "5'-Phosphooligonucleotide" + ] + }, + { + "compound_id": "C00352", + "inchi": "InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1", + "name": "D-Glucosamine 6-phosphate", + "names": [ + "6-amino-D-glucose 6-phosphate", + "6-amino-d-glucose 6-phosphate", + "D-Glucosamine 6-phosphate", + "D-Glucosamine phosphate" + ] + }, + { + "compound_id": "C00353", + "inchi": "InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+", + "name": "Geranylgeranyl diphosphate", + "names": [ + "Geranylgeranyl diphosphate", + "Geranylgeranyl pyrophosphate", + "all-trans-Geranylgeranyl diphosphate", + "all-trans-Geranylgeranyl pyrophosphate" + ] + }, + { + "compound_id": "C00354", + "inchi": "InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/m1/s1", + "name": "D-Fructose 1,6-bisphosphate", + "names": [ + "D-Fructose 1,6-bisphosphate" + ] + }, + { + "compound_id": "C00355", + "inchi": "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1", + "name": "3,4-Dihydroxy-L-phenylalanine", + "names": [ + "3,4-Dihydroxy-L-phenylalanine", + "3-Hydroxy-L-tyrosine", + "Dihydroxy-L-phenylalanine", + "L-Dopa", + "L-beta-(3,4-Dihydroxyphenyl)alanine", + "Levodopa" + ] + }, + { + "compound_id": "C00356", + "inchi": "InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21?,25-,27+/m1/s1", + "name": "(S)-3-Hydroxy-3-methylglutaryl-CoA", + "names": [ + "(S)-3-Hydroxy-3-methylglutaryl-CoA", + "3-Hydroxy-3-methylglutaryl-CoA", + "HMG-CoA", + "Hydroxymethylglutaroyl coenzyme A", + "Hydroxymethylglutaryl-CoA" + ] + }, + { + "compound_id": "C00357", + "inchi": "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1", + "name": "N-Acetyl-D-glucosamine 6-phosphate", + "names": [ + "N-Acetyl-D-glucosamine 6-phosphate" + ] + }, + { + "compound_id": "C00360", + "inchi": "InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1", + "name": "dAMP", + "names": [ + "2'-Deoxyadenosine 5'-monophosphate", + "2'-Deoxyadenosine 5'-phosphate", + "Deoxyadenosine monophosphate", + "Deoxyadenylic acid", + "dAMP" + ] + }, + { + "compound_id": "C00361", + "inchi": "InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1", + "name": "dGDP", + "names": [ + "2'-Deoxyguanosine 5'-diphosphate", + "dGDP" + ] + }, + { + "compound_id": "C00362", + "inchi": "InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1", + "name": "dGMP", + "names": [ + "2'-Deoxyguanosine 5'-monophosphate", + "2'-Deoxyguanosine 5'-phosphate", + "Deoxyguanosine monophosphate", + "Deoxyguanylic acid", + "dGMP" + ] + }, + { + "compound_id": "C00363", + "inchi": "InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", + "name": "dTDP", + "names": [ + "Deoxythymidine 5'-diphosphate", + "dTDP" + ] + }, + { + "compound_id": "C00364", + "inchi": "InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", + "name": "dTMP", + "names": [ + "5'-Thymidylic acid", + "Deoxythymidine 5'-phosphate", + "Deoxythymidylic acid", + "Thymidine 5'-phosphate", + "Thymidine monophosphate", + "Thymidylate", + "Thymidylic acid", + "dTMP" + ] + }, + { + "compound_id": "C00365", + "inchi": "InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", + "name": "dUMP", + "names": [ + "2'-Deoxyuridine 5'-phosphate", + "Deoxyuridine 5'-phosphate", + "Deoxyuridine monophosphate", + "Deoxyuridylic acid", + "dUMP" + ] + }, + { + "compound_id": "C00366", + "inchi": "InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)", + "name": "Urate", + "names": [ + "Urate", + "Uric acid" + ] + }, + { + "compound_id": "C00369", + "inchi": null, + "name": "Starch", + "names": [ + "Starch" + ] + }, + { + "compound_id": "C00370", + "inchi": "InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2", + "name": "Sterol", + "names": [ + "Sterol" + ] + }, + { + "compound_id": "C00371", + "inchi": "InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+", + "name": "Zeatin", + "names": [ + "(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol", + "N6-(4-Hydroxyisopentenyl)adenine", + "Zeatin", + "trans-Zeatin" + ] + }, + { + "compound_id": "C00372", + "inchi": null, + "name": "Dextran", + "names": [ + "(1,6-alpha-D-Glucosyl)m", + "(1,6-alpha-D-Glucosyl)m+1", + "(1,6-alpha-D-Glucosyl)n", + "(1,6-alpha-D-Glucosyl)n+1", + "1,6-alpha-D-Glucan", + "Dextran", + "Dextran 40", + "Dextran 70", + "Dextran 75" + ] + }, + { + "compound_id": "C00373", + "inchi": "InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1", + "name": "Elastin", + "names": [ + "Elastin" + ] + }, + { + "compound_id": "C00374", + "inchi": null, + "name": "Heparin", + "names": [ + "Bemiparin", + "Enoxaparin", + "Heparin" + ] + }, + { + "compound_id": "C00375", + "inchi": null, + "name": "Primary amine", + "names": [ + "Primary amine", + "RCH2NH2" + ] + }, + { + "compound_id": "C00376", + "inchi": "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", + "name": "Retinal", + "names": [ + "Retinal", + "Retinene", + "Vitamin A aldehyde", + "all-trans-Retinal", + "all-trans-Retinene", + "all-trans-Vitamin A aldehyde" + ] + }, + { + "compound_id": "C00377", + "inchi": null, + "name": "Steroid", + "names": [ + "Steroid" + ] + }, + { + "compound_id": "C00378", + "inchi": "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1", + "name": "Thiamine", + "names": [ + "Aneurin", + "Antiberiberi factor", + "Thiamin", + "Thiamine", + "Vitamin B1" + ] + }, + { + "compound_id": "C00379", + "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+", + "name": "Xylitol", + "names": [ + "Xylitol" + ] + }, + { + "compound_id": "C00380", + "inchi": "InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)", + "name": "Cytosine", + "names": [ + "Cytosine" + ] + }, + { + "compound_id": "C00381", + "inchi": "InChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3/b22-13+,23-15+,24-17-", + "name": "Dolichol", + "names": [ + "Dolichol" + ] + }, + { + "compound_id": "C00383", + "inchi": "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)", + "name": "Malonate", + "names": [ + "Malonate", + "Malonic acid", + "Propanedioic acid" + ] + }, + { + "compound_id": "C00384", + "inchi": null, + "name": "Neomycin", + "names": [ + "Neomycin" + ] + }, + { + "compound_id": "C00385", + "inchi": "InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)", + "name": "Xanthine", + "names": [ + "Xanthine" + ] + }, + { + "compound_id": "C00386", + "inchi": "InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1", + "name": "Carnosine", + "names": [ + "Carnosine", + "Nalpha-(beta-alanyl)-L-histidine" + ] + }, + { + "compound_id": "C00387", + "inchi": "InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1", + "name": "Guanosine", + "names": [ + "Guanosine" + ] + }, + { + "compound_id": "C00388", + "inchi": "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)", + "name": "1H-Imidazole-4-ethanamine", + "names": [ + "1H-Imidazole-4-ethanamine", + "2-(4-Imidazolyl)ethylamine", + "Histamine" + ] + }, + { + "compound_id": "C00389", + "inchi": "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H", + "name": "Quercetin", + "names": [ + "3,3',4,5,7-Pentahydroxyflavone", + "3,5,7,3',4'-Pentahydroxyflavone", + "Quercetin" + ] + }, + { + "compound_id": "C00390", + "inchi": "InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3/b13-10+", + "name": "Ubiquinol", + "names": [ + "CoQH2", + "QH2", + "Ubiquinol" + ] + }, + { + "compound_id": "C00391", + "inchi": null, + "name": "Calmodulin", + "names": [ + "Calmodulin" + ] + }, + { + "compound_id": "C00392", + "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1", + "name": "Mannitol", + "names": [ + "D-Mannitol", + "Mannitol" + ] + }, + { + "compound_id": "C00393", + "inchi": null, + "name": "Fibrinogen", + "names": [ + "Blood coagulation factor I", + "Fibrinogen" + ] + }, + { + "compound_id": "C00394", + "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14?,15-/m1/s1", + "name": "GDP-glucose", + "names": [ + "GDP-D-glucose", + "GDP-alpha-D-glucose", + "GDP-glucose", + "GDPglucose", + "gdpglucose" + ] + }, + { + "compound_id": "C00395", + "inchi": null, + "name": "Penicillin", + "names": [ + "Penam", + "Penicillin" + ] + }, + { + "compound_id": "C00396", + "inchi": "InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H", + "name": "Pyrimidine", + "names": [ + "Pyrimidine", + "Pyrimidine base" + ] + }, + { + "compound_id": "C00397", + "inchi": "InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1", + "name": "Tobramycin", + "names": [ + "3'-Deoxykanamycin B", + "Nebramycin factir 6", + "Tobramycin" + ] + }, + { + "compound_id": "C00398", + "inchi": "InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2", + "name": "Tryptamine", + "names": [ + "3-(2-Aminoethyl)indole", + "Tryptamine" + ] + }, + { + "compound_id": "C00399", + "inchi": "InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+", + "name": "Ubiquinone", + "names": [ + "CoQ", + "Coenzyme Q", + "Q", + "Ubiquinone" + ] + }, + { + "compound_id": "C00400", + "inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1", + "name": "(-)-Menthol", + "names": [ + "(-)-Menthol", + "L-Menthol" + ] + }, + { + "compound_id": "C00401", + "inchi": null, + "name": "Chondroitin", + "names": [ + "Chondroitin", + "Chondroitin-D-glucuronate" + ] + }, + { + "compound_id": "C00402", + "inchi": "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1", + "name": "D-Aspartate", + "names": [ + "D-Aspartate", + "D-Aspartic acid" + ] + }, + { + "compound_id": "C00403", + "inchi": null, + "name": "Polypeptide", + "names": [ + "Polypeptide" + ] + }, + { + "compound_id": "C00404", + "inchi": "InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)", + "name": "Polyphosphate", + "names": [ + "(Phosphate)n", + "(Phosphate)n+1", + "(Phosphate)n-1", + "(Polyphosphate)n", + "(Polyphosphate)n-1", + "Polyphosphate" + ] + }, + { + "compound_id": "C00405", + "inchi": null, + "name": "D-Amino acid", + "names": [ + "D-Amino acid" + ] + }, + { + "compound_id": "C00406", + "inchi": "InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/b7-5+/t20-,24-,25-,26?,30-/m1/s1", + "name": "Feruloyl-CoA", + "names": [ + "Feruloyl-CoA", + "trans-Feruloyl-CoA" + ] + }, + { + "compound_id": "C00407", + "inchi": "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1", + "name": "L-Isoleucine", + "names": [ + "2-Amino-3-methylvaleric acid", + "L-Isoleucine", + "L-isoleusine", + "l-isoleusine" + ] + }, + { + "compound_id": "C00408", + "inchi": "InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1", + "name": "L-Pipecolate", + "names": [ + "(S)-Piperidine-2-carboxylic acid", + "2-Piperidinecarboxylic acid", + "L-Pipecolate", + "Pipecolic acid", + "Pipecolinic acid" + ] + }, + { + "compound_id": "C00409", + "inchi": "InChI=1S/CH4S/c1-2/h2H,1H3", + "name": "Methanethiol", + "names": [ + "Methanethiol", + "Methylmercaptan" + ] + }, + { + "compound_id": "C00410", + "inchi": "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1", + "name": "Progesterone", + "names": [ + "4-Pregnene-3,20-dione", + "Progesterone" + ] + }, + { + "compound_id": "C00411", + "inchi": "InChI=1S/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t20-,25-,26-,27?,31-/m1/s1", + "name": "Sinapoyl-CoA", + "names": [ + "Sinapoyl-CoA" + ] + }, + { + "compound_id": "C00412", + "inchi": "InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34?,38-/m1/s1", + "name": "Stearoyl-CoA", + "names": [ + "Stearoyl-CoA", + "Stearyl coenzyme A", + "Stearyl-CoA" + ] + }, + { + "compound_id": "C00413", + "inchi": "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16?,17?,18?,21+/m0/s1", + "name": "Streptomycin", + "names": [ + "Streptomycin" + ] + }, + { + "compound_id": "C00414", + "inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2", + "name": "Cyclohexanone", + "names": [ + "Cyclohexanone" + ] + }, + { + "compound_id": "C00415", + "inchi": "InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1", + "name": "Dihydrofolate", + "names": [ + "7,8-Dihydrofolate", + "7,8-Dihydrofolic acid", + "7,8-Dihydropteroylglutamate", + "Dihydrofolate", + "Dihydrofolic acid" + ] + }, + { + "compound_id": "C00416", + "inchi": null, + "name": "Phosphatidate", + "names": [ + "1,2-Diacyl-sn-glycerol 3-phosphate", + "3-sn-Phosphatidate", + "Phosphatidate", + "Phosphatidic acid" + ] + }, + { + "compound_id": "C00417", + "inchi": "InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-", + "name": "cis-Aconitate", + "names": [ + "cis-Aconitate", + "cis-Aconitic acid" + ] + }, + { + "compound_id": "C00418", + "inchi": "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1", + "name": "(R)-Mevalonate", + "names": [ + "(R)-Mevalonate", + "3,5-Dihydroxy-3-methylvaleric acid", + "Mevalonic acid" + ] + }, + { + "compound_id": "C00419", + "inchi": null, + "name": "Polynucleotide", + "names": [ + "Polynucleotide" + ] + }, + { + "compound_id": "C00420", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2", + "name": "Polysaccharide", + "names": [ + "Glycan", + "Polyglycose", + "Polysaccharide" + ] + }, + { + "compound_id": "C00422", + "inchi": null, + "name": "Triacylglycerol", + "names": [ + "Triacylglycerol", + "Triglyceride" + ] + }, + { + "compound_id": "C00423", + "inchi": "InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+", + "name": "trans-Cinnamate", + "names": [ + "(E)-Cinnamate", + "trans-Cinnamate", + "trans-Cinnamic acid" + ] + }, + { + "compound_id": "C00424", + "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1", + "name": "(S)-Lactaldehyde", + "names": [ + "(S)-Lactaldehyde", + "L-2-Hydroxypropionaldehyde", + "L-Lactaldehyde" + ] + }, + { + "compound_id": "C00426", + "inchi": null, + "name": "Dermatan sulfate", + "names": [ + "Chondroitin sulfate B", + "Dermatan sulfate", + "beta-Heparin" + ] + }, + { + "compound_id": "C00427", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", + "name": "Prostaglandin H2", + "names": [ + "(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate", + "(5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate", + "(5Z,9alpha,11alpha,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dienoate", + "PGH2", + "Prostaglandin H2" + ] + }, + { + "compound_id": "C00429", + "inchi": "InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)", + "name": "5,6-Dihydrouracil", + "names": [ + "2,4-Dioxotetrahydropyrimidine", + "5,6-Dihydro-2,4-dihydroxypyrimidine", + "5,6-Dihydrouracil", + "Dihydro-2,4(1H,3H)-pyrimidinedione", + "Dihydrouracil", + "Dihydrouracile", + "Hydrouracil" + ] + }, + { + "compound_id": "C00430", + "inchi": "InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)", + "name": "5-Aminolevulinate", + "names": [ + "5-Amino-4-oxopentanoate", + "5-Amino-4-oxovaleric acid", + "5-Aminolevulinate" + ] + }, + { + "compound_id": "C00431", + "inchi": "InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)", + "name": "5-Aminopentanoate", + "names": [ + "5-Aminopentanoate", + "5-Aminopentanoic acid", + "5-Aminovaleric acid" + ] + }, + { + "compound_id": "C00433", + "inchi": "InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)", + "name": "2,5-Dioxopentanoate", + "names": [ + "2,5-Dioxopentanoate", + "2-Oxoglutarate semialdehyde" + ] + }, + { + "compound_id": "C00434", + "inchi": null, + "name": "Double-stranded DNA", + "names": [ + "Double-stranded DNA" + ] + }, + { + "compound_id": "C00435", + "inchi": null, + "name": "Oxidized rubredoxin", + "names": [ + "Oxidized rubredoxin" + ] + }, + { + "compound_id": "C00436", + "inchi": "InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9)", + "name": "N-Carbamoylputrescine", + "names": [ + "N-Carbamoylputrescine" + ] + }, + { + "compound_id": "C00437", + "inchi": "InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1", + "name": "N-Acetylornithine", + "names": [ + "N-Acetylornithine", + "N2-Acetyl-L-ornithine", + "n-2-acetyl-l-ornithine" + ] + }, + { + "compound_id": "C00438", + "inchi": "InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1", + "name": "N-Carbamoyl-L-aspartate", + "names": [ + "N-Carbamoyl-L-aspartate" + ] + }, + { + "compound_id": "C00439", + "inchi": "InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1", + "name": "N-Formimino-L-glutamate", + "names": [ + "N-Formimidoyl-L-glutamate", + "N-Formimino-L-glutamate" + ] + }, + { + "compound_id": "C00440", + "inchi": "InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1", + "name": "5-Methyltetrahydrofolate", + "names": [ + "5-Methyltetrahydrofolate" + ] + }, + { + "compound_id": "C00441", + "inchi": "InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1", + "name": "L-Aspartate 4-semialdehyde", + "names": [ + "Aspartate beta-semialdehyde", + "L-Aspartate 4-semialdehyde", + "L-Aspartic 4-semialdehyde", + "l-aspartate-4-semialdehyde" + ] + }, + { + "compound_id": "C00444", + "inchi": null, + "name": "5'-Phosphooligoribonucleotide", + "names": [ + "5'-Phosphooligoribonucleotide" + ] + }, + { + "compound_id": "C00445", + "inchi": "InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12?,13-/m0/s1", + "name": "5,10-Methenyltetrahydrofolate", + "names": [ + "5,10-Methenyltetrahydrofolate" + ] + }, + { + "compound_id": "C00446", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1", + "name": "alpha-D-Galactose 1-phosphate", + "names": [ + "alpha-D-Galactopyranose 1-phosphate", + "alpha-D-Galactose 1-phosphate" + ] + }, + { + "compound_id": "C00447", + "inchi": "InChI=1S/C7H16O13P2/c8-3(1-19-21(13,14)15)5(10)7(12)6(11)4(9)2-20-22(16,17)18/h3,5-8,10-12H,1-2H2,(H2,13,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1", + "name": "Sedoheptulose 1,7-bisphosphate", + "names": [ + "D-Sedoheptulose 1,7-bisphosphate", + "D-altro-Heptulose 1,7-biphosphate", + "Sedoheptulose 1,7-bisphosphate" + ] + }, + { + "compound_id": "C00448", + "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+", + "name": "trans,trans-Farnesyl diphosphate", + "names": [ + "(2E,6E)-Farnesyl diphosphate", + "2-trans,6-trans-Farnesyl diphosphate", + "Farnesyl diphosphate", + "Farnesyl pyrophosphate", + "trans,trans-Farnesyl diphosphate" + ] + }, + { + "compound_id": "C00449", + "inchi": "InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1", + "name": "N6-(L-1,3-Dicarboxypropyl)-L-lysine", + "names": [ + "L-Saccharopine", + "N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid", + "N6-(L-1,3-Dicarboxypropyl)-L-lysine", + "Saccharopine" + ] + }, + { + "compound_id": "C00450", + "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1", + "name": "(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate", + "names": [ + "(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate", + "delta1-Piperideine-6-L-carboxylate" + ] + }, + { + "compound_id": "C00451", + "inchi": "InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1", + "name": "(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", + "names": [ + "(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", + "D-threo-Isocitric acid" + ] + }, + { + "compound_id": "C00454", + "inchi": null, + "name": "NDP", + "names": [ + "NDP", + "Nucleoside diphosphate" + ] + }, + { + "compound_id": "C00455", + "inchi": "InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1", + "name": "Nicotinamide D-ribonucleotide", + "names": [ + "NMN", + "Nicotinamide D-ribonucleotide", + "Nicotinamide mononucleotide", + "Nicotinamide nucleotide", + "Nicotinamide ribonucleotide", + "beta-Nicotinamide D-ribonucleotide", + "beta-Nicotinamide mononucleotide", + "beta-Nicotinamide ribonucleotide" + ] + }, + { + "compound_id": "C00458", + "inchi": "InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", + "name": "dCTP", + "names": [ + "2'-Deoxycytidine 5'-triphosphate", + "Deoxycytidine 5'-triphosphate", + "Deoxycytidine triphosphate", + "dCTP" + ] + }, + { + "compound_id": "C00459", + "inchi": "InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", + "name": "dTTP", + "names": [ + "Deoxythymidine 5'-triphosphate", + "Deoxythymidine triphosphate", + "TTP", + "dTTP" + ] + }, + { + "compound_id": "C00460", + "inchi": "InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", + "name": "dUTP", + "names": [ + "2'-Deoxyuridine 5'-triphosphate", + "dUTP" + ] + }, + { + "compound_id": "C00461", + "inchi": null, + "name": "Chitin", + "names": [ + "Chitin", + "[1,4-(N-Acetyl-beta-D-glucosaminyl)]n", + "[1,4-(N-Acetyl-beta-D-glucosaminyl)]n+1", + "beta-1,4-Poly-N-acetyl-D-glucosamine" + ] + }, + { + "compound_id": "C00462", + "inchi": null, + "name": "Halide", + "names": [ + "HX", + "Halide", + "Halo acid", + "Hydrogen halide" + ] + }, + { + "compound_id": "C00463", + "inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H", + "name": "Indole", + "names": [ + "2,3-Benzopyrrole", + "Indole" + ] + }, + { + "compound_id": "C00464", + "inchi": null, + "name": "Mannan", + "names": [ + "Mannan", + "Mannoglycan" + ] + }, + { + "compound_id": "C00466", + "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3", + "name": "Acetoin", + "names": [ + "2-Acetoin", + "3-Hydroxy-2-butanone", + "3-Hydroxybutan-2-one", + "Acetoin", + "Dimethylketol" + ] + }, + { + "compound_id": "C00468", + "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", + "name": "Estrone", + "names": [ + "3-Hydroxy-1,3,5(10)-estratrien-17-one", + "Estrone" + ] + }, + { + "compound_id": "C00469", + "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", + "name": "Ethanol", + "names": [ + "Ethanol", + "Ethyl alcohol", + "Methylcarbinol" + ] + }, + { + "compound_id": "C00470", + "inchi": "InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)/t1-,2+,3+,4+,5+,6+,7+,8?,9?,10-,11-,12-,16?,17?,18?/m0/s1", + "name": "Pectate", + "names": [ + "(1,4-alpha-D-Galacturonide)n", + "(1,4-alpha-D-Galacturonosyl)n", + "De-esterified pectin", + "Pectate", + "Pectic acid", + "Poly(1,4-alpha-D-galacturonate)", + "Poly(1,4-alpha-D-galacturonate)(n)", + "alpha-D-Polygalacturonic acid" + ] + }, + { + "compound_id": "C00472", + "inchi": "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H", + "name": "p-Benzoquinone", + "names": [ + "1,4-Benzoquinone", + "2,5-Cyclohexadiene-1,4-dione", + "Chinone", + "Quinone", + "p-Benzoquinone" + ] + }, + { + "compound_id": "C00473", + "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", + "name": "Retinol", + "names": [ + "Retinol", + "Vitamin A", + "Vitamin A alcohol", + "Vitamin A1", + "all-trans-Retinol", + "vitamin a alcohol" + ] + }, + { + "compound_id": "C00474", + "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2", + "name": "Ribitol", + "names": [ + "Adonitol", + "Ribitol" + ] + }, + { + "compound_id": "C00475", + "inchi": "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1", + "name": "Cytidine", + "names": [ + "Cytidine" + ] + }, + { + "compound_id": "C00476", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5?/m1/s1", + "name": "D-Lyxose", + "names": [ + "D-Lyxose" + ] + }, + { + "compound_id": "C00477", + "inchi": "InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20?,22+,23-,25+,26+,27+/m0/s1", + "name": "Ecdysone", + "names": [ + "Ecdysone" + ] + }, + { + "compound_id": "C00478", + "inchi": "InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m0/s1", + "name": "Lichenin", + "names": [ + "Lichenan", + "Lichenin" + ] + }, + { + "compound_id": "C00479", + "inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3", + "name": "Propanal", + "names": [ + "Propanal", + "Propionaldehyde" + ] + }, + { + "compound_id": "C00480", + "inchi": null, + "name": "Pullulan", + "names": [ + "Pullulan" + ] + }, + { + "compound_id": "C00481", + "inchi": "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)", + "name": "Pyrazole", + "names": [ + "1,2-Diazole", + "Pyrazole" + ] + }, + { + "compound_id": "C00482", + "inchi": "InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+", + "name": "Sinapate", + "names": [ + "3,5-Dimethoxy-4-hydroxycinnamic acid", + "Sinapate", + "Sinapic acid" + ] + }, + { + "compound_id": "C00483", + "inchi": "InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2", + "name": "Tyramine", + "names": [ + "2-(p-Hydroxyphenyl)ethylamine", + "Tyramine" + ] + }, + { + "compound_id": "C00484", + "inchi": null, + "name": "Arylamide", + "names": [ + "Arylamide" + ] + }, + { + "compound_id": "C00486", + "inchi": "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-", + "name": "Bilirubin", + "names": [ + "Bilirubin" + ] + }, + { + "compound_id": "C00487", + "inchi": "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1", + "name": "Carnitine", + "names": [ + "3-Hydroxy-4-trimethylammoniobutanoate", + "Carnitine", + "gamma-Trimethyl-hydroxybutyrobetaine" + ] + }, + { + "compound_id": "C00488", + "inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)", + "name": "Formamide", + "names": [ + "Formamide", + "Methanamide" + ] + }, + { + "compound_id": "C00489", + "inchi": "InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)", + "name": "Glutarate", + "names": [ + "1,3-Propanedicarboxylic acid", + "Glutarate", + "Glutaric acid", + "Pentanedioic acid" + ] + }, + { + "compound_id": "C00490", + "inchi": "InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)", + "name": "Itaconate", + "names": [ + "Itaconate", + "Itaconic acid", + "Methylenesuccinic acid" + ] + }, + { + "compound_id": "C00491", + "inchi": "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1", + "name": "L-Cystine", + "names": [ + "L-Cystine", + "L-Dicysteine", + "L-alpha-Diamino-beta-dithiolactic acid" + ] + }, + { + "compound_id": "C00492", + "inchi": "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1", + "name": "Raffinose", + "names": [ + "6G-alpha-D-galactosylsucrose", + "Gossypose", + "Melitose", + "Melitriose", + "Raffinose" + ] + }, + { + "compound_id": "C00493", + "inchi": "InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1", + "name": "Shikimate", + "names": [ + "3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid", + "Shikimate", + "Shikimic acid" + ] + }, + { + "compound_id": "C00494", + "inchi": "InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1", + "name": "Sisomicin", + "names": [ + "Antibiotic 6640", + "Dehydrogentamicin Cla", + "Rickamicin", + "Sisomicin" + ] + }, + { + "compound_id": "C00495", + "inchi": "InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3", + "name": "Sulochrin", + "names": [ + "Sulochrin" + ] + }, + { + "compound_id": "C00496", + "inchi": null, + "name": "Ubiquitin", + "names": [ + "Ubiquitin" + ] + }, + { + "compound_id": "C00497", + "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1", + "name": "(R)-Malate", + "names": [ + "(R)-Malate", + "D-Malate", + "D-Malic acid" + ] + }, + { + "compound_id": "C00498", + "inchi": "InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1", + "name": "ADP-glucose", + "names": [ + "ADP-glucose", + "ADPglucose", + "Adenosine diphosphoglucose", + "adpglucose" + ] + }, + { + "compound_id": "C00499", + "inchi": "InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)", + "name": "Allantoate", + "names": [ + "Allantoate", + "Allantoic acid" + ] + }, + { + "compound_id": "C00500", + "inchi": "InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-", + "name": "Biliverdin", + "names": [ + "Biliverdin", + "Biliverdin IX alpha" + ] + }, + { + "compound_id": "C00501", + "inchi": "InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1", + "name": "CDP-glucose", + "names": [ + "CDP-D-Glucose", + "CDP-glucose", + "cdpglucose" + ] + }, + { + "compound_id": "C00502", + "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1", + "name": "D-Xylonate", + "names": [ + "D-Xylonate" + ] + }, + { + "compound_id": "C00503", + "inchi": "InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2", + "name": "Erythritol", + "names": [ + "Erythrite", + "Erythritol", + "Erythrol", + "Phycite", + "Phycitol" + ] + }, + { + "compound_id": "C00504", + "inchi": "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1", + "name": "Folate", + "names": [ + "Folate", + "Folic acid", + "Pteroylglutamic acid" + ] + }, + { + "compound_id": "C00505", + "inchi": null, + "name": "Gentamicin", + "names": [ + "Gentamicin" + ] + }, + { + "compound_id": "C00506", + "inchi": "InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", + "name": "L-Cysteate", + "names": [ + "2-Amino-3-sulfopropionic acid", + "3-Sulfoalanine", + "L-Cysteate", + "L-Cysteic acid" + ] + }, + { + "compound_id": "C00507", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1", + "name": "L-Rhamnose", + "names": [ + "6-Deoxy-L-mannose", + "L-Mannomethylose", + "L-Rhamnose" + ] + }, + { + "compound_id": "C00508", + "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5?/m0/s1", + "name": "L-Ribulose", + "names": [ + "L-Arabinoketose", + "L-Arabinulose", + "L-Riboketose", + "L-Ribulose", + "L-erythro-Pentulose" + ] + }, + { + "compound_id": "C00509", + "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1", + "name": "Naringenin", + "names": [ + "(-)-(2S)-Naringenin", + "(2S)-Naringenin", + "4',5,7-Trihydroxyflavanone", + "Naringenin" + ] + }, + { + "compound_id": "C00510", + "inchi": "InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34?,38-/m1/s1", + "name": "Oleoyl-CoA", + "names": [ + "(9Z)-Octadecenoyl-CoA", + "Oleoyl-CoA" + ] + }, + { + "compound_id": "C00511", + "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)", + "name": "Acrylic acid", + "names": [ + "2-Propenoic acid", + "Acrylate", + "Acrylic acid", + "Propenoate", + "Vinylformic acid" + ] + }, + { + "compound_id": "C00512", + "inchi": "InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", + "name": "S-Benzoate coenzyme A", + "names": [ + "Benzoyl-CoA", + "S-Benzoate coenzyme A" + ] + }, + { + "compound_id": "C00513", + "inchi": "InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1", + "name": "CDP-glycerol", + "names": [ + "CDP-glycerol" + ] + }, + { + "compound_id": "C00514", + "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1", + "name": "D-Mannonate", + "names": [ + "D-Mannonate" + ] + }, + { + "compound_id": "C00515", + "inchi": "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1", + "name": "D-Ornithine", + "names": [ + "D-Ornithine" + ] + }, + { + "compound_id": "C00516", + "inchi": null, + "name": "Fibronectin", + "names": [ + "Fibronectin" + ] + }, + { + "compound_id": "C00517", + "inchi": "InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3", + "name": "Hexadecanal", + "names": [ + "Hexadecanal", + "Palmitaldehyde" + ] + }, + { + "compound_id": "C00518", + "inchi": null, + "name": "Hyaluronate", + "names": [ + "Hyaluronate", + "Hyaluronic acid", + "[beta-N-Acetyl-D-glucosaminyl(1,4)beta-D-glucuronosyl(1,3)]n" + ] + }, + { + "compound_id": "C00519", + "inchi": "InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)", + "name": "Hypotaurine", + "names": [ + "2-Aminoethanesulfinic acid", + "Hypotaurine" + ] + }, + { + "compound_id": "C00521", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1", + "name": "(-)-Limonene", + "names": [ + "(-)-(4S)-Limonene", + "(-)-(S)-Limonene", + "(-)-Limonene" + ] + }, + { + "compound_id": "C00522", + "inchi": "InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/t4-/m0/s1", + "name": "(R)-Pantoate", + "names": [ + "(R)-Pantoate", + "Pantoate", + "Pantoic acid" + ] + }, + { + "compound_id": "C00523", + "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1", + "name": "Androsterone", + "names": [ + "3alpha-Hydroxy-5alpha-androstan-17-one", + "Androsterone" + ] + }, + { + "compound_id": "C00524", + "inchi": null, + "name": "Cytochrome c", + "names": [ + "Cytochrome c", + "Holocytochrome c" + ] + }, + { + "compound_id": "C00525", + "inchi": "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1", + "name": "D-Tryptophan", + "names": [ + "D-Tryptophan" + ] + }, + { + "compound_id": "C00526", + "inchi": "InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1", + "name": "Deoxyuridine", + "names": [ + "2'-Deoxyuridine", + "2-Deoxyuridine", + "Deoxyuridine" + ] + }, + { + "compound_id": "C00527", + "inchi": "InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21?,25-/m1/s1", + "name": "Glutaryl-CoA", + "names": [ + "Glutaryl-CoA" + ] + }, + { + "compound_id": "C00528", + "inchi": "InChI=1S/C36H64N8O17/c1-6-39-25-29(28(22(14-46)59-35(25)57)61-36-24(42-18(5)47)27(50)26(49)21(13-45)60-36)58-17(4)32(53)40-15(2)31(52)44-19(30(38)51)10-11-23(48)43-20(9-7-8-12-37)33(54)41-16(3)34(55)56/h15-17,19-22,24-29,35-36,39,45-46,49-50,57H,6-14,37H2,1-5H3,(H2,38,51)(H,40,53)(H,41,54)(H,42,47)(H,43,48)(H,44,52)(H,55,56)/t15-,16+,17+,19-,20-,21-,22?,24-,25-,26-,27-,28+,29?,35?,36+/m1/s1", + "name": "Glycopeptide", + "names": [ + "Glycopeptide" + ] + }, + { + "compound_id": "C00530", + "inchi": "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H", + "name": "Hydroquinone", + "names": [ + "1,4-Benzenediol", + "1,4-Dihydroxybenzene", + "4-Hydroxyphenol", + "Benzene-1,4-diol", + "Hydroquinone", + "Quinol", + "p-Benzenediol" + ] + }, + { + "compound_id": "C00531", + "inchi": "InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,36-37H,1,4-10H2,2-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,18-,19-,20?,24-/m1/s1", + "name": "Itaconyl-CoA", + "names": [ + "Itaconyl-CoA" + ] + }, + { + "compound_id": "C00532", + "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1", + "name": "L-Arabitol", + "names": [ + "L-Arabinitol", + "L-Arabinol", + "L-Arabitol", + "L-Lyxitol" + ] + }, + { + "compound_id": "C00533", + "inchi": "InChI=1S/NO/c1-2", + "name": "Nitric oxide", + "names": [ + "NO", + "Nitric oxide", + "Nitrogen monoxide" + ] + }, + { + "compound_id": "C00534", + "inchi": "InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3", + "name": "Pyridoxamine", + "names": [ + "PM", + "Pyridoxamine" + ] + }, + { + "compound_id": "C00535", + "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1", + "name": "Testosterone", + "names": [ + "17beta-Hydroxy-4-androsten-3-one", + "4-androstene-17-ol-3-one", + "Testosterone" + ] + }, + { + "compound_id": "C00536", + "inchi": "InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)", + "name": "Triphosphate", + "names": [ + "Inorganic triphosphate", + "Triphosphate", + "Triphosphoric acid", + "Tripolyphosphate" + ] + }, + { + "compound_id": "C00538", + "inchi": null, + "name": "2-Oxoaldehyde", + "names": [ + "2-Oxoaldehyde" + ] + }, + { + "compound_id": "C00539", + "inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)", + "name": "Aromatic acid", + "names": [ + "Aromatic acid", + "Aromatic carboxylic acid" + ] + }, + { + "compound_id": "C00540", + "inchi": "InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25?,29-/m1/s1", + "name": "Cinnamoyl-CoA", + "names": [ + "Cinnamoyl-CoA" + ] + }, + { + "compound_id": "C00541", + "inchi": "InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;/m1./s1", + "name": "Cob(II)alamin", + "names": [ + "Cob(II)alamin", + "Vitamin B12r" + ] + }, + { + "compound_id": "C00542", + "inchi": "InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)", + "name": "Cystathionine", + "names": [ + "Cystathionine" + ] + }, + { + "compound_id": "C00543", + "inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", + "name": "Dimethylamine", + "names": [ + "(CH3)2NH", + "Dimethylamine" + ] + }, + { + "compound_id": "C00544", + "inchi": "InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)", + "name": "Homogentisate", + "names": [ + "2,5-Dihydroxyphenylacetate", + "2,5-Dihydroxyphenylacetic acid", + "Homogentisate", + "Homogentisic acid" + ] + }, + { + "compound_id": "C00545", + "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m0/s1", + "name": "L-Arabinonate", + "names": [ + "L-Arabinonate" + ] + }, + { + "compound_id": "C00546", + "inchi": "InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3", + "name": "Methylglyoxal", + "names": [ + "2-Ketopropionaldehyde", + "2-Oxopropanal", + "Methylglyoxal", + "Pyruvaldehyde", + "Pyruvic aldehyde" + ] + }, + { + "compound_id": "C00547", + "inchi": "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1", + "name": "L-Noradrenaline", + "names": [ + "4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol", + "Arterenol", + "L-Noradrenaline", + "Noradrenaline", + "Norepinephrine" + ] + }, + { + "compound_id": "C00548", + "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3", + "name": "Phenyl acetate", + "names": [ + "Acetic acid,phenyl ester", + "Acetylphenol", + "Phenyl acetate" + ] + }, + { + "compound_id": "C00549", + "inchi": "InChI=1S/C27H34N6O22P2/c34-7-10-20(18(40)23(51-10)32-5-2-14(36)29-26(32)43)54-57(47,48)50-9-12-21(19(41)24(53-12)33-6-3-15(37)30-27(33)44)55-56(45,46)49-8-11-16(38)17(39)22(52-11)31-4-1-13(35)28-25(31)42/h1-6,10-12,16-24,34,38-41H,7-9H2,(H,45,46)(H,47,48)(H,28,35,42)(H,29,36,43)(H,30,37,44)/t10-,11-,12-,16-,17-,18-,19-,20?,21?,22-,23-,24-/m1/s1", + "name": "RNA (poly(U))", + "names": [ + "RNA (poly(U))" + ] + }, + { + "compound_id": "C00550", + "inchi": null, + "name": "Sphingomyelin", + "names": [ + "Sphingomyelin" + ] + }, + { + "compound_id": "C00551", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6?,7-,8+,9-,10?,11-,12-,13-,14?,15+,16+,17+,18?/m1/s1", + "name": "beta-D-Glucan", + "names": [ + "beta-D-Glucan", + "beta-Glucan" + ] + }, + { + "compound_id": "C00552", + "inchi": "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+", + "name": "meso-Tartaric acid", + "names": [ + "meso-Tartaric acid", + "meso-Tartrate" + ] + }, + { + "compound_id": "C00553", + "inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10?/m1/s1", + "name": "(+)-Neomenthol", + "names": [ + "(+)-Neomenthol" + ] + }, + { + "compound_id": "C00555", + "inchi": "InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2", + "name": "4-Aminobutyraldehyde", + "names": [ + "4-Aminobutanal", + "4-Aminobutyraldehyde", + "Butyraldehyde, 4-amino-" + ] + }, + { + "compound_id": "C00556", + "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2", + "name": "Benzyl alcohol", + "names": [ + "Benzenemethanol", + "Benzyl alcohol", + "Hydroxymethylbenzene", + "Phenylcarbinol", + "Phenylmethanol", + "alpha-Hydroxytoluene" + ] + }, + { + "compound_id": "C00557", + "inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2", + "name": "Cyclopentanone", + "names": [ + "Cyclopentanone" + ] + }, + { + "compound_id": "C00558", + "inchi": "InChI=1S/C6H10O7/c7-1-6(12)4(9)2(8)3(13-6)5(10)11/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3-,4-,6?/m0/s1", + "name": "D-Tagaturonate", + "names": [ + "D-Tagaturonate", + "D-Tagaturonic acid" + ] + }, + { + "compound_id": "C00559", + "inchi": "InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1", + "name": "Deoxyadenosine", + "names": [ + "2'-Deoxyadenosine", + "Deoxyadenosine" + ] + }, + { + "compound_id": "C00561", + "inchi": "InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H", + "name": "Mandelonitrile", + "names": [ + "Benzaldehyde cyanohydrin", + "Mandelonitrile" + ] + }, + { + "compound_id": "C00562", + "inchi": null, + "name": "Phosphoprotein", + "names": [ + "Phosphoprotein" + ] + }, + { + "compound_id": "C00563", + "inchi": "InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1", + "name": "Phosphoramidon", + "names": [ + "Phosphoramidon" + ] + }, + { + "compound_id": "C00565", + "inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3", + "name": "Trimethylamine", + "names": [ + "(CH3)3N", + "N,N-Dimethylmethanamine", + "Trimethylamine" + ] + }, + { + "compound_id": "C00566", + "inchi": "InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20?,24-,27?/m1/s1", + "name": "(3S)-Citryl-CoA", + "names": [ + "(3S)-Citryl-CoA" + ] + }, + { + "compound_id": "C00568", + "inchi": "InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)", + "name": "4-Aminobenzoate", + "names": [ + "4-Aminobenzoate", + "4-Aminobenzoic acid", + "ABEE", + "p-Aminobenzoate" + ] + }, + { + "compound_id": "C00569", + "inchi": null, + "name": "Arabinogalactan", + "names": [ + "Arabinogalactan", + "Arabinogalactoglycan" + ] + }, + { + "compound_id": "C00570", + "inchi": "InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1", + "name": "CDP-ethanolamine", + "names": [ + "CDP-ethanolamine", + "Cytidine diphosphate ethanolamine", + "cdpethanolamine" + ] + }, + { + "compound_id": "C00571", + "inchi": "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2", + "name": "Cyclohexylamine", + "names": [ + "Cyclohexanamine", + "Cyclohexylamine" + ] + }, + { + "compound_id": "C00573", + "inchi": null, + "name": "Keratan sulfate", + "names": [ + "Keratan", + "Keratan 6'-sulfate", + "Keratan sulfate", + "Kerato 6'-sulfate", + "Kerato sulfate" + ] + }, + { + "compound_id": "C00574", + "inchi": null, + "name": "beta-D-Fucoside", + "names": [ + "beta-D-Fucoside" + ] + }, + { + "compound_id": "C00575", + "inchi": "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", + "name": "3',5'-Cyclic AMP", + "names": [ + "3',5'-Cyclic AMP", + "Adenosine 3',5'-cyclic phosphate", + "Adenosine 3',5'-phosphate", + "Adenosine 3':5'-(cyclic)phosphate", + "Cyclic AMP", + "Cyclic adenylic acid", + "adenosine 3':5'-(cyclic)phosphate", + "cAMP" + ] + }, + { + "compound_id": "C00576", + "inchi": "InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1", + "name": "Betaine aldehyde", + "names": [ + "Betaine aldehyde" + ] + }, + { + "compound_id": "C00577", + "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1", + "name": "D-Glyceraldehyde", + "names": [ + "(R)-Glyceraldehyde", + "(r)-glyceraldehyde", + "D-Glyceraldehyde" + ] + }, + { + "compound_id": "C00579", + "inchi": "InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)", + "name": "Dihydrolipoamide", + "names": [ + "Dihydrolipoamide", + "Dihydrothioctamide" + ] + }, + { + "compound_id": "C00580", + "inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3", + "name": "Dimethyl sulfide", + "names": [ + "Dimethyl sulfide", + "Methyl sulfide", + "Methyl thioether", + "dimethylsulfide" + ] + }, + { + "compound_id": "C00581", + "inchi": "InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)", + "name": "Guanidinoacetate", + "names": [ + "Glycocyamine", + "Guanidinoacetate", + "Guanidinoacetic acid", + "Guanidoacetic acid", + "N-Amidinoglycine" + ] + }, + { + "compound_id": "C00582", + "inchi": "InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24?,28-/m1/s1", + "name": "Phenylacetyl-CoA", + "names": [ + "Phenylacetyl coenzyme A", + "Phenylacetyl-CoA" + ] + }, + { + "compound_id": "C00583", + "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3", + "name": "Propane-1,2-diol", + "names": [ + "1,2-Propanediol", + "Propane-1,2-diol", + "Propylene glycol" + ] + }, + { + "compound_id": "C00584", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1", + "name": "Prostaglandin E2", + "names": [ + "(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate", + "(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate", + "Dinoprostone", + "PGE2", + "Prostaglandin E2" + ] + }, + { + "compound_id": "C00585", + "inchi": null, + "name": "Protein tyrosine", + "names": [ + "Protein tyrosine", + "[Protein]-L-tyrosine" + ] + }, + { + "compound_id": "C00586", + "inchi": "InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1", + "name": "2-Deoxy-D-glucose", + "names": [ + "2-Deoxy-D-arabino-hexose", + "2-Deoxy-D-glucose", + "D-arabino-2-Deoxyhexose" + ] + }, + { + "compound_id": "C00587", + "inchi": "InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)", + "name": "3-Hydroxybenzoate", + "names": [ + "3-Hydroxybenzoate", + "3-Hydroxybenzoic acid", + "m-Hydroxybenzoic acid" + ] + }, + { + "compound_id": "C00588", + "inchi": "InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1", + "name": "Choline phosphate", + "names": [ + "Choline phosphate", + "O-Phosphocholine", + "Phosphocholine", + "Phosphorylcholine" + ] + }, + { + "compound_id": "C00590", + "inchi": "InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+", + "name": "Coniferyl alcohol", + "names": [ + "4-(3-Hydroxy-1-propenyl)-2-methoxyphenol", + "Coniferol", + "Coniferyl alcohol" + ] + }, + { + "compound_id": "C00591", + "inchi": null, + "name": "N-Acylneuraminate", + "names": [ + "N-Acylneuraminate" + ] + }, + { + "compound_id": "C00593", + "inchi": "InChI=1S/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)", + "name": "Sulfoacetaldehyde", + "names": [ + "2-Sulfoacetaldehyde", + "Sulfoacetaldehyde" + ] + }, + { + "compound_id": "C00596", + "inchi": "InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3,6H,1H2,(H,7,8)/b4-3+", + "name": "2-Hydroxy-2,4-pentadienoate", + "names": [ + "2-Hydroxy-2,4-pentadienoate", + "2-Hydroxypenta-2,4-dienoate", + "2-Oxopent-4-enoate", + "Oxopent-4-enoate", + "cis-2-Hydroxypenta-2,4-dienoate" + ] + }, + { + "compound_id": "C00597", + "inchi": "InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)", + "name": "3-Phospho-DL-glycerate", + "names": [ + "3-Phospho-DL-glycerate", + "3-Phosphoglycerate", + "DL-Glycerate 3-phosphate" + ] + }, + { + "compound_id": "C00599", + "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Cholest-4-en-3-one", + "names": [ + "4-Cholesten-3-one", + "Cholest-4-en-3-one", + "Cholestenone" + ] + }, + { + "compound_id": "C00601", + "inchi": "InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2", + "name": "Phenylacetaldehyde", + "names": [ + "Phenylacetaldehyde", + "alpha-Tolualdehyde" + ] + }, + { + "compound_id": "C00602", + "inchi": null, + "name": "beta-D-Galactoside", + "names": [ + "beta-D-Galactoside" + ] + }, + { + "compound_id": "C00603", + "inchi": "InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1", + "name": "(-)-Ureidoglycolate", + "names": [ + "(-)-Ureidoglycolate", + "(S)-Ureidoglycolate" + ] + }, + { + "compound_id": "C00604", + "inchi": "InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H", + "name": "1,10-Phenanthroline", + "names": [ + "1,10-Phenanthroline", + "o-Phenanthroline" + ] + }, + { + "compound_id": "C00605", + "inchi": null, + "name": "2,3-Dehydroacyl-CoA", + "names": [ + "2,3-Dehydroacyl-CoA", + "Dehydroacyl-CoA" + ] + }, + { + "compound_id": "C00606", + "inchi": "InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1", + "name": "3-Sulfino-L-alanine", + "names": [ + "3-Sulfino-L-alanine", + "3-Sulfinoalanine", + "3-Sulphino-L-alanine", + "L-Cysteinesulfinic acid" + ] + }, + { + "compound_id": "C00607", + "inchi": null, + "name": "Chondroitin sulfate", + "names": [ + "Chondroitin sulfate" + ] + }, + { + "compound_id": "C00608", + "inchi": null, + "name": "Deoxyribonucleotide", + "names": [ + "Deoxyribonucleotide" + ] + }, + { + "compound_id": "C00609", + "inchi": null, + "name": "Long-chain aldehyde", + "names": [ + "Long-chain aldehyde" + ] + }, + { + "compound_id": "C00611", + "inchi": "InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12?,13-,14?/m1/s1", + "name": "N-Acetyllactosamine", + "names": [ + "N-Acetyllactosamine", + "beta-D-Galactosyl-1,4-N-acetyl-D-glucosamine", + "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosamine" + ] + }, + { + "compound_id": "C00612", + "inchi": "InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)", + "name": "N1-Acetylspermidine", + "names": [ + "N1-Acetylspermidine" + ] + }, + { + "compound_id": "C00613", + "inchi": null, + "name": "Protein-L-arginine", + "names": [ + "Peptide L-arginine", + "Protein-L-arginine" + ] + }, + { + "compound_id": "C00614", + "inchi": null, + "name": "Protein glutamate", + "names": [ + "Protein L-glutamate", + "Protein glutamate" + ] + }, + { + "compound_id": "C00615", + "inchi": null, + "name": "Protein histidine", + "names": [ + "Protein L-histidine", + "Protein histidine", + "[Protein]-L-histidine" + ] + }, + { + "compound_id": "C00616", + "inchi": "InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)", + "name": "Quercetin 3-sulfate", + "names": [ + "Quercetin 3-sulfate" + ] + }, + { + "compound_id": "C00617", + "inchi": "InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8-,9-,10-,11+,12?,14-/m1/s1", + "name": "UDP-D-galacturonate", + "names": [ + "UDP-D-galacturonate", + "UDPgalacturonate" + ] + }, + { + "compound_id": "C00618", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1", + "name": "3-Dehydro-L-gulonate", + "names": [ + "3-Dehydro-L-gulonate" + ] + }, + { + "compound_id": "C00619", + "inchi": "InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3", + "name": "3-Oxo-delta4-steroid", + "names": [ + "3-Oxo-delta4-steroid" + ] + }, + { + "compound_id": "C00620", + "inchi": "InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", + "name": "alpha-D-Ribose 1-phosphate", + "names": [ + "D-Ribose 1-phosphate", + "Ribose 1-phosphate", + "alpha-D-Ribose 1-phosphate" + ] + }, + { + "compound_id": "C00621", + "inchi": "InChI=1S/C25H46O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-", + "name": "Dolichyl diphosphate", + "names": [ + "Dolichol diphosphate", + "Dolichyl diphosphate" + ] + }, + { + "compound_id": "C00623", + "inchi": "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1", + "name": "Glycerol 1-phosphate", + "names": [ + "Glycerol 1-phosphate", + "L-Glycerol 1-phosphate", + "sn-Glycerol 1-phosphate", + "sn-Gro-1-P" + ] + }, + { + "compound_id": "C00624", + "inchi": "InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1", + "name": "N-Acetyl-L-glutamate", + "names": [ + "N-Acetyl-L-glutamate", + "N-Acetyl-L-glutamic acid" + ] + }, + { + "compound_id": "C00625", + "inchi": null, + "name": "N-Acyl-D-mannosamine", + "names": [ + "N-Acyl-D-mannosamine" + ] + }, + { + "compound_id": "C00627", + "inchi": "InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)", + "name": "Pyridoxine phosphate", + "names": [ + "Pyridoxine 5'-phosphate", + "Pyridoxine 5-phosphate", + "Pyridoxine phosphate", + "Pyridoxol 5'-phosphate" + ] + }, + { + "compound_id": "C00628", + "inchi": "InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)", + "name": "2,5-Dihydroxybenzoate", + "names": [ + "2,5-Dihydroxybenzoate", + "2,5-Dihydroxybenzoic acid", + "Gentisate", + "Gentisic acid", + "Hydroquinonecarboxylic acid" + ] + }, + { + "compound_id": "C00630", + "inchi": "InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1", + "name": "2-Methylpropanoyl-CoA", + "names": [ + "2-Methylpropanoyl-CoA", + "2-Methylpropionyl-CoA", + "Isobutyryl-CoA" + ] + }, + { + "compound_id": "C00631", + "inchi": "InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1", + "name": "2-Phospho-D-glycerate", + "names": [ + "2-Phospho-(R)-glycerate", + "2-Phospho-D-glycerate", + "D-Glycerate 2-phosphate" + ] + }, + { + "compound_id": "C00632", + "inchi": "InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)", + "name": "3-Hydroxyanthranilate", + "names": [ + "3-Hydroxyanthranilate", + "3-Hydroxyanthranilic acid" + ] + }, + { + "compound_id": "C00633", + "inchi": "InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H", + "name": "4-Hydroxybenzaldehyde", + "names": [ + "4-Hydroxybenzaldehyde", + "p-Hydroxybenzaldehyde" + ] + }, + { + "compound_id": "C00634", + "inchi": null, + "name": "Chondroitin 4-sulfate", + "names": [ + "Chondroitin 4'-sulfate", + "Chondroitin 4-sulfate", + "Chondroitin sulfate A" + ] + }, + { + "compound_id": "C00635", + "inchi": null, + "name": "Chondroitin 6-sulfate", + "names": [ + "Chondroitin 6'-sulfate", + "Chondroitin 6-sulfate", + "Chondroitin sulfate C" + ] + }, + { + "compound_id": "C00636", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1", + "name": "D-Mannose 1-phosphate", + "names": [ + "D-Mannose 1-phosphate", + "alpha-D-Mannose 1-phosphate" + ] + }, + { + "compound_id": "C00637", + "inchi": "InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2", + "name": "Indole-3-acetaldehyde", + "names": [ + "2-(Indol-3-yl)acetaldehyde", + "Indole-3-acetaldehyde", + "Indoleacetaldehyde" + ] + }, + { + "compound_id": "C00638", + "inchi": null, + "name": "Long-chain fatty acid", + "names": [ + "Higher fatty acid", + "Long-chain fatty acid" + ] + }, + { + "compound_id": "C00639", + "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", + "name": "Prostaglandin F2alpha", + "names": [ + "(+)-Prostaglandin F2a", + "(5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate", + "(5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate", + "7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid", + "9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid", + "9a,11a-PGF2", + "Amoglandin", + "Cyclosin", + "Dinoprost", + "Enzaprost", + "Enzaprost F", + "PGF2a", + "Panacelan", + "Prostaglandin F2a", + "Prostaglandin F2alpha", + "Prostin F 2 alpha", + "Protamodin", + "U 14583" + ] + }, + { + "compound_id": "C00640", + "inchi": null, + "name": "(3S)-3-Hydroxyacyl-CoA", + "names": [ + "(3S)-3-Hydroxyacyl-CoA", + "(S)-3-Hydroxyacyl-CoA" + ] + }, + { + "compound_id": "C00641", + "inchi": null, + "name": "1,2-Diacyl-sn-glycerol", + "names": [ + "1,2-Diacyl-sn-glycerol", + "1,2-Diacylglycerol", + "L-1,2-Diacylglycerol" + ] + }, + { + "compound_id": "C00642", + "inchi": "InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)", + "name": "4-Hydroxyphenylacetate", + "names": [ + "4-Hydroxyphenylacetate", + "4-Hydroxyphenylacetic acid" + ] + }, + { + "compound_id": "C00643", + "inchi": "InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1", + "name": "5-Hydroxy-L-tryptophan", + "names": [ + "5-Hydroxy-L-tryptophan", + "Oxitriptan" + ] + }, + { + "compound_id": "C00644", + "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)", + "name": "D-Mannitol 1-phosphate", + "names": [ + "D-Mannitol 1-phosphate", + "d-mannitol-1-phosphate" + ] + }, + { + "compound_id": "C00645", + "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1", + "name": "N-Acetyl-D-mannosamine", + "names": [ + "2-Acetamido-2-deoxy-D-mannose", + "N-Acetyl-D-mannosamine" + ] + }, + { + "compound_id": "C00647", + "inchi": "InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)", + "name": "Pyridoxamine phosphate", + "names": [ + "Pyridoxamine 5'-phosphate", + "Pyridoxamine 5-phosphate", + "Pyridoxamine phosphate" + ] + }, + { + "compound_id": "C00650", + "inchi": "InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H", + "name": "4-Hydroxymandelonitrile", + "names": [ + "4-Hydroxymandelonitrile" + ] + }, + { + "compound_id": "C00651", + "inchi": "InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1", + "name": "4-Methylene-L-glutamate", + "names": [ + "4-Methylene-L-glutamate" + ] + }, + { + "compound_id": "C00652", + "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1", + "name": "D-Arabinono-1,4-lactone", + "names": [ + "D-Arabinono-1,4-lactone" + ] + }, + { + "compound_id": "C00653", + "inchi": null, + "name": "Poly(ribitol phosphate)", + "names": [ + "(Ribitol phosphate)n", + "(Ribitol phosphate)n+1", + "Poly(ribitol phosphate)", + "Poly-1,5-ribitol phosphate" + ] + }, + { + "compound_id": "C00655", + "inchi": "InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1", + "name": "Xanthosine 5'-phosphate", + "names": [ + "(9-D-Ribosylxanthine)-5'-phosphate", + "XMP", + "Xanthosine 5'-phosphate", + "Xanthylic acid" + ] + }, + { + "compound_id": "C00658", + "inchi": null, + "name": "trans-2,3-Dehydroacyl-CoA", + "names": [ + "(2E)-2-Enoyl-CoA", + "trans-2,3-Dehydroacyl-CoA", + "trans-2,3-Didehydroacyl-CoA", + "trans-2-Enoyl-CoA", + "trans-Didehydroacyl-CoA" + ] + }, + { + "compound_id": "C00659", + "inchi": "InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)", + "name": "2-Aceto-2-hydroxybutanoate", + "names": [ + "2-Aceto-2-hydroxybutanoate" + ] + }, + { + "compound_id": "C00660", + "inchi": "InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1", + "name": "D-Glucose 1,6-bisphosphate", + "names": [ + "D-Glucose 1,6-biphosphate", + "D-Glucose 1,6-bisphosphate", + "d-glucose 1,6-diphosphate" + ] + }, + { + "compound_id": "C00661", + "inchi": "InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)", + "name": "DL-Glyceraldehyde 3-phosphate", + "names": [ + "DL-Glyceraldehyde 3-phosphate", + "Glyceraldehyde 3-phosphate" + ] + }, + { + "compound_id": "C00662", + "inchi": null, + "name": "Reduced adrenal ferredoxin", + "names": [ + "Reduced adrenal ferredoxin", + "Reduced adrenodoxin" + ] + }, + { + "compound_id": "C00663", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1", + "name": "beta-D-Glucose 1-phosphate", + "names": [ + "beta-D-Glucose 1-phosphate" + ] + }, + { + "compound_id": "C00664", + "inchi": "InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)", + "name": "5-Formiminotetrahydrofolate", + "names": [ + "5-Formimidoyltetrahydrofolate", + "5-Formiminotetrahydrofolate" + ] + }, + { + "compound_id": "C00665", + "inchi": "InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1", + "name": "beta-D-Fructose 2,6-bisphosphate", + "names": [ + "D-Fructose 2,6-bisphosphate", + "beta-D-Fructose 2,6-bisphosphate" + ] + }, + { + "compound_id": "C00666", + "inchi": "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", + "name": "LL-2,6-Diaminoheptanedioate", + "names": [ + "LL-2,6-Diaminoheptanedioate", + "LL-2,6-Diaminopimelate", + "LL-2,6-Diaminopimelic acid", + "l,l-2,6-diaminoheptanedioate" + ] + }, + { + "compound_id": "C00667", + "inchi": null, + "name": "Oxidized adrenal ferredoxin", + "names": [ + "Oxidized adrenal ferredoxin", + "Oxidized adrenodoxin" + ] + }, + { + "compound_id": "C00668", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1", + "name": "alpha-D-Glucose 6-phosphate", + "names": [ + "alpha-D-Glucose 6-phosphate" + ] + }, + { + "compound_id": "C00669", + "inchi": "InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1", + "name": "gamma-L-Glutamyl-L-cysteine", + "names": [ + "5-L-Glutamyl-L-cysteine", + "L-gamma-Glutamylcysteine", + "gamma-Glutamylcysteine", + "gamma-L-Glutamyl-L-cysteine" + ] + }, + { + "compound_id": "C00670", + "inchi": "InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1", + "name": "sn-glycero-3-Phosphocholine", + "names": [ + "Glycerophosphocholine", + "sn-glycero-3-Phosphocholine" + ] + }, + { + "compound_id": "C00671", + "inchi": "InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1", + "name": "(S)-3-Methyl-2-oxopentanoic acid", + "names": [ + "(3S)-3-Methyl-2-oxopentanoate", + "(3S)-3-Methyl-2-oxopentanoic acid", + "(S)-3-Methyl-2-oxopentanoate", + "(S)-3-Methyl-2-oxopentanoic acid" + ] + }, + { + "compound_id": "C00672", + "inchi": "InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1", + "name": "2-Deoxy-D-ribose 1-phosphate", + "names": [ + "2-Deoxy-D-ribose 1-phosphate", + "2-Deoxy-alpha-D-ribose 1-phosphate", + "2-deoxy--d-ribose 1-phosphate" + ] + }, + { + "compound_id": "C00673", + "inchi": "InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1", + "name": "2-Deoxy-D-ribose 5-phosphate", + "names": [ + "2-Deoxy-D-ribose 5-phosphate" + ] + }, + { + "compound_id": "C00674", + "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19?/m0/s1", + "name": "5alpha-Androstane-3,17-dione", + "names": [ + "5-Androstane-3,17-dione", + "5-androstane-3,17-dione", + "5alpha-Androstane-3,17-dione", + "Androstanedione" + ] + }, + { + "compound_id": "C00675", + "inchi": null, + "name": "Deoxynucleoside 3'-phosphate", + "names": [ + "Deoxynucleoside 3'-phosphate" + ] + }, + { + "compound_id": "C00676", + "inchi": null, + "name": "Deoxynucleoside 5'-phosphate", + "names": [ + "2'-Deoxynucleoside 5'-monophosphate", + "2'-Deoxynucleoside 5'-phosphate", + "Deoxynucleoside 5'-phosphate" + ] + }, + { + "compound_id": "C00677", + "inchi": null, + "name": "Deoxynucleoside triphosphate", + "names": [ + "Deoxynucleoside triphosphate" + ] + }, + { + "compound_id": "C00679", + "inchi": "InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4+/m0/s1", + "name": "5-Dehydro-4-deoxy-D-glucarate", + "names": [ + "5-Dehydro-4-deoxy-D-glucarate" + ] + }, + { + "compound_id": "C00680", + "inchi": "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+", + "name": "meso-2,6-Diaminoheptanedioate", + "names": [ + "meso-2,6-Diaminoheptanedioate", + "meso-2,6-Diaminopimelate", + "meso-2,6-Diaminopimelic acid", + "meso-Diaminoheptanedioate" + ] + }, + { + "compound_id": "C00681", + "inchi": null, + "name": "1-Acyl-sn-glycerol 3-phosphate", + "names": [ + "1-Acyl-sn-glycerol 3-phosphate", + "2-Lysophosphatidate", + "Lysophosphatidate", + "Lysophosphatidic acid" + ] + }, + { + "compound_id": "C00682", + "inchi": "InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+", + "name": "2-Hydroxymuconate semialdehyde", + "names": [ + "2-Hydroxymuconate semialdehyde", + "2-Hydroxymuconic semialdehyde" + ] + }, + { + "compound_id": "C00683", + "inchi": "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18?,22+/m0/s1", + "name": "(S)-Methylmalonyl-CoA", + "names": [ + "(2S)-Methylmalonyl-CoA", + "(S)-Methylmalonyl-CoA", + "(S)-Methylmalonyl-coenzyme A", + "D-Methylmalonyl-CoA" + ] + }, + { + "compound_id": "C00684", + "inchi": "InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m1/s1", + "name": "2-Dehydro-3-deoxy-L-arabinonate", + "names": [ + "2-Dehydro-3-deoxy-L-arabinonate", + "2-Dehydro-3-deoxy-L-pentonate" + ] + }, + { + "compound_id": "C00685", + "inchi": null, + "name": "3-Oxoacyl-[acyl-carrier protein]", + "names": [ + "3-Oxoacyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C00686", + "inchi": null, + "name": "N-Acyl-D-mannosamine 6-phosphate", + "names": [ + "N-Acyl-D-mannosamine 6-phosphate" + ] + }, + { + "compound_id": "C00688", + "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,12+,13+,15+/m0/s1", + "name": "dTDP-4-dehydro-6-deoxy-L-mannose", + "names": [ + "dTDP-4-dehydro-6-deoxy-L-mannose", + "dTDP-4-oxo-6-deoxy-L-mannose", + "dTDP-4-oxo-L-rhamnose" + ] + }, + { + "compound_id": "C00689", + "inchi": "InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12?/m1/s1", + "name": "alpha,alpha'-Trehalose 6-phosphate", + "names": [ + ",-Trehalose 6-phosphate", + ",-trehalose 6-phosphate", + "Trehalose 6-phosphate", + "alpha,alpha'-Trehalose 6-phosphate" + ] + }, + { + "compound_id": "C00691", + "inchi": "InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5-", + "name": "2,4,6/3,5-Pentahydroxycyclohexanone", + "names": [ + "2,4,6/3,5-Pentahydroxycyclohexanone", + "2-Inosose", + "scyllo-Inosose" + ] + }, + { + "compound_id": "C00692", + "inchi": "InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15+,18+,19+,20+,21+,22+,25+,27+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamate", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamate" + ] + }, + { + "compound_id": "C00693", + "inchi": null, + "name": "trans-2,3-Dehydroacyl-[acyl-carrier protein]", + "names": [ + "trans-2,3-Dehydroacyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C00694", + "inchi": null, + "name": "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-R", + "names": [ + "beta-D-Galactosyl-(1->4)-N-acetyl-D-glucosaminyl-R", + "beta-D-Galactosyl-(1->4)-beta-N-acetyl-D-glucosaminyl-R", + "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C00695", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", + "name": "Cholic acid", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate", + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid", + "Cholate", + "Cholic acid" + ] + }, + { + "compound_id": "C00696", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1", + "name": "Prostaglandin D2", + "names": [ + "(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate", + "(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate", + "PGD2", + "Prostaglandin D2" + ] + }, + { + "compound_id": "C00697", + "inchi": "InChI=1S/N2/c1-2", + "name": "Nitrogen", + "names": [ + "N2", + "Nitrogen" + ] + }, + { + "compound_id": "C00698", + "inchi": "InChI=1S/ClH/h1H/p-1", + "name": "Cl-", + "names": [ + "Chloride", + "Chloride ion", + "Cl-" + ] + }, + { + "compound_id": "C00700", + "inchi": "InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1", + "name": "XTP", + "names": [ + "XTP", + "Xanthosine 5'-triphosphate" + ] + }, + { + "compound_id": "C00701", + "inchi": null, + "name": "Base", + "names": [ + "Base", + "Base1", + "Base2", + "Nucleobase" + ] + }, + { + "compound_id": "C00703", + "inchi": "InChI=1S/Hg/q+2", + "name": "Mercury(2+)", + "names": [ + "Hg2+", + "Mercuric ion", + "Mercury(2+)" + ] + }, + { + "compound_id": "C00704", + "inchi": "InChI=1S/HO2/c1-2/h1H/p-1", + "name": "O2.-", + "names": [ + "O2-", + "O2.-", + "Superoxide anion" + ] + }, + { + "compound_id": "C00705", + "inchi": "InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", + "name": "dCDP", + "names": [ + "2'-Deoxycytidine 5'-diphosphate", + "2'-Deoxycytidine diphosphate", + "dCDP" + ] + }, + { + "compound_id": "C00706", + "inchi": null, + "name": "Amine", + "names": [ + "Amine", + "Substituted amine" + ] + }, + { + "compound_id": "C00707", + "inchi": null, + "name": "Xylan", + "names": [ + "Xylan" + ] + }, + { + "compound_id": "C00708", + "inchi": "InChI=1S/HI/h1H/p-1", + "name": "Iodide", + "names": [ + "I-", + "Iodide" + ] + }, + { + "compound_id": "C00711", + "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)", + "name": "Malate", + "names": [ + "2-Hydroxybutanedioic acid", + "Malate", + "Malic acid" + ] + }, + { + "compound_id": "C00712", + "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-", + "name": "(9Z)-Octadecenoic acid", + "names": [ + "(9Z)-Octadecenoic acid", + "(Z)-Octadec-9-enoic acid", + "Oleate", + "Oleic acid" + ] + }, + { + "compound_id": "C00713", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16?,17+,18-/m1/s1", + "name": "Panose", + "names": [ + "Panose" + ] + }, + { + "compound_id": "C00714", + "inchi": null, + "name": "Pectin", + "names": [ + "Pectin", + "Poly(1,4-alpha-D-galacturonide)" + ] + }, + { + "compound_id": "C00715", + "inchi": "InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)", + "name": "Pterin", + "names": [ + "2-Amino-4-hydroxypteridine", + "2-Amino-4-oxopteridine", + "Pterin" + ] + }, + { + "compound_id": "C00716", + "inchi": "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)", + "name": "DL-Serine", + "names": [ + "2-Amino-3-hydroxypropionic acid", + "3-Hydroxyalanine", + "DL-Serine", + "Serine" + ] + }, + { + "compound_id": "C00717", + "inchi": null, + "name": "Alditol", + "names": [ + "Alditol", + "Glycitol", + "Sugar alcohol" + ] + }, + { + "compound_id": "C00718", + "inchi": null, + "name": "Amylose", + "names": [ + "(1,4-alpha-D-Glucosyl)n", + "(1,4-alpha-D-Glucosyl)n+1", + "(1,4-alpha-D-Glucosyl)n-1", + "1,4-alpha-D-Glucan", + "4-{(1,4)-alpha-D-Glucosyl}(n-1)-D-glucose", + "Amylose", + "Amylose chain" + ] + }, + { + "compound_id": "C00719", + "inchi": "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3", + "name": "Betaine", + "names": [ + "Betaine", + "Glycine betaine", + "N,N,N-Trimethylglycine", + "Trimethylaminoacetate", + "Trimethylammonioacetate" + ] + }, + { + "compound_id": "C00720", + "inchi": null, + "name": "RBr", + "names": [ + "RBr" + ] + }, + { + "compound_id": "C00721", + "inchi": null, + "name": "Dextrin", + "names": [ + "Dextrin" + ] + }, + { + "compound_id": "C00722", + "inchi": null, + "name": "Epoxide", + "names": [ + "Alkene oxide", + "Epoxide", + "Olefin oxide", + "Oxirane" + ] + }, + { + "compound_id": "C00723", + "inchi": null, + "name": "Insulin", + "names": [ + "Insulin" + ] + }, + { + "compound_id": "C00725", + "inchi": "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)", + "name": "Lipoate", + "names": [ + "Lipoate", + "Lipoic acid", + "Thioctic acid", + "alpha-Lipoic acid" + ] + }, + { + "compound_id": "C00726", + "inchi": null, + "name": "Nitrile", + "names": [ + "Nitrile", + "R-CN" + ] + }, + { + "compound_id": "C00727", + "inchi": "InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3", + "name": "Orcinol", + "names": [ + "3,5-Dihydroxytoluene", + "3,5-Toluenediol", + "5-Methyl-1,3-benzenediol", + "5-Methylresorcinol", + "Orcinol" + ] + }, + { + "compound_id": "C00729", + "inchi": "InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3", + "name": "Tropine", + "names": [ + "3alpha-Tropanol", + "Tropine" + ] + }, + { + "compound_id": "C00732", + "inchi": "InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14+/m1/s1", + "name": "Ubenimex", + "names": [ + "Ubenimex" + ] + }, + { + "compound_id": "C00734", + "inchi": "InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14?,15?,16-,17?,18?/m1/s1", + "name": "Chitosan", + "names": [ + "Chitosan", + "beta-1,4-Poly-D-glucosamine" + ] + }, + { + "compound_id": "C00735", + "inchi": "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1", + "name": "Cortisol", + "names": [ + "11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione", + "4-pregnene-11,17,21-triol-3,20-dione", + "Cortisol", + "Hydrocortisone", + "Kendall's compound F", + "Reichstein's substance M" + ] + }, + { + "compound_id": "C00736", + "inchi": "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)", + "name": "Cysteine", + "names": [ + "2-Amino-3-mercaptopropionic acid", + "Cysteine" + ] + }, + { + "compound_id": "C00737", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3?,4?,5?,6?/m1/s1", + "name": "D-Aldose", + "names": [ + "D-Aldose", + "D-Aldose1", + "D-Aldose2" + ] + }, + { + "compound_id": "C00738", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2", + "name": "D-Hexose", + "names": [ + "D-Hexose", + "Hexose" + ] + }, + { + "compound_id": "C00739", + "inchi": "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1", + "name": "D-Lysine", + "names": [ + "D-2,6-Diaminohexanoic acid", + "D-Lysine" + ] + }, + { + "compound_id": "C00740", + "inchi": "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1", + "name": "D-Serine", + "names": [ + "D-Serine" + ] + }, + { + "compound_id": "C00741", + "inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3", + "name": "Diacetyl", + "names": [ + "2,3-Butanedione", + "Biacetyl", + "Diacetyl", + "Dimethylglyoxal" + ] + }, + { + "compound_id": "C00742", + "inchi": "InChI=1S/FH/h1H/p-1", + "name": "Fluoride", + "names": [ + "F-", + "Fluoride", + "Fluoride ion" + ] + }, + { + "compound_id": "C00744", + "inchi": "InChI=1S/C45H75NO17/c1-12-32-29(21-57-44-41(56-11)38(53)36(51)25(5)59-44)17-22(2)13-14-30(48)23(3)18-28(15-16-47)39(24(4)31(49)19-33(50)61-32)63-43-37(52)35(46(9)10)40(26(6)60-43)62-34-20-45(8,55)42(54)27(7)58-34/h13-14,16-17,23-29,31-32,34-44,49,51-55H,12,15,18-21H2,1-11H3/b14-13+,22-17+/t23-,24+,25-,26-,27+,28+,29-,31-,32-,34?,35-,36-,37-,38-,39?,40-,41-,42+,43?,44-,45-/m1/s1", + "name": "Macrocin", + "names": [ + "Macrocin", + "Tylosin C" + ] + }, + { + "compound_id": "C00745", + "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1", + "name": "Nicotine", + "names": [ + "(S)-3-(1-methylpyrrolidin-2-yl)pyridine", + "(S)-Nicotine", + "Nicotine" + ] + }, + { + "compound_id": "C00746", + "inchi": "InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1", + "name": "Oxytocin", + "names": [ + "OT", + "OXT", + "Ocytocin", + "Oxytocin" + ] + }, + { + "compound_id": "C00747", + "inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H", + "name": "Pyridine", + "names": [ + "Azabenzene", + "Pyridine" + ] + }, + { + "compound_id": "C00748", + "inchi": "InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1", + "name": "Siroheme", + "names": [ + "Siroheme" + ] + }, + { + "compound_id": "C00750", + "inchi": "InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2", + "name": "Spermine", + "names": [ + "N,N'-Bis(3-aminopropyl)-1,4-butanediamine", + "Spermine" + ] + }, + { + "compound_id": "C00751", + "inchi": "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+", + "name": "Squalene", + "names": [ + "Spinacene", + "Squalene", + "Supraene" + ] + }, + { + "compound_id": "C00752", + "inchi": null, + "name": "Thrombin", + "names": [ + "Thrombin" + ] + }, + { + "compound_id": "C00753", + "inchi": "InChI=1S/W", + "name": "Tungsten", + "names": [ + "Tungsten" + ] + }, + { + "compound_id": "C00755", + "inchi": "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3", + "name": "4-Hydroxy-3-methoxy-benzaldehyde", + "names": [ + "4-Hydroxy-3-methoxy-benzaldehyde", + "4-Hydroxy-3-methoxybenzaldehyde", + "Vanillaldehyde", + "Vanillin" + ] + }, + { + "compound_id": "C00756", + "inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3", + "name": "1-Octanol", + "names": [ + "1-Octanol" + ] + }, + { + "compound_id": "C00757", + "inchi": "InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1", + "name": "Berberine", + "names": [ + "Berberine", + "Umbellatine" + ] + }, + { + "compound_id": "C00758", + "inchi": "InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H", + "name": "Bergaptol", + "names": [ + "5-Hydroxyfuranocoumarin", + "5-Hydroxypsoralen", + "Bergaptol" + ] + }, + { + "compound_id": "C00759", + "inchi": null, + "name": "Caldesmon", + "names": [ + "Caldesmon" + ] + }, + { + "compound_id": "C00760", + "inchi": null, + "name": "Cellulose", + "names": [ + "(1,4-beta-D-Glucosyl)n", + "(1,4-beta-D-Glucosyl)n+1", + "(1,4-beta-D-Glucosyl)n-1", + "1,4-beta-D-Glucan", + "Cellulose", + "Microcrystalline cellulose" + ] + }, + { + "compound_id": "C00761", + "inchi": "InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1", + "name": "Coniferin", + "names": [ + "Coniferin" + ] + }, + { + "compound_id": "C00762", + "inchi": "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1", + "name": "Cortisone", + "names": [ + "17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione", + "Cortisone", + "Kendall's compound E", + "Reichstein's substance Fa" + ] + }, + { + "compound_id": "C00763", + "inchi": "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1", + "name": "D-Proline", + "names": [ + "D-Proline" + ] + }, + { + "compound_id": "C00764", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m1/s1", + "name": "D-Sorbose", + "names": [ + "D-Sorbose", + "D-xylo-Hexulose" + ] + }, + { + "compound_id": "C00765", + "inchi": "InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19?,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46-,47-,48?,49-,50+,51-,52?,53-,54+,55-,56+/m0/s1", + "name": "Digitonin", + "names": [ + "Digitonin" + ] + }, + { + "compound_id": "C00766", + "inchi": "InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2", + "name": "Flavanone", + "names": [ + "2,3-Dihydroflavone", + "Flavanone" + ] + }, + { + "compound_id": "C00768", + "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)", + "name": "Histidine", + "names": [ + "DL-Histidine", + "Histidine", + "alpha-Amino-1H-imidazole-4-propionic acid" + ] + }, + { + "compound_id": "C00770", + "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)", + "name": "L-Idonate", + "names": [ + "L-Idonate" + ] + }, + { + "compound_id": "C00771", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17+,18+/m1/s1", + "name": "Laminarin", + "names": [ + "Laminaran", + "Laminarin" + ] + }, + { + "compound_id": "C00772", + "inchi": "InChI=1S/C6H10O4/c1-6(9)2-4(7)10-5(8)3-6/h4,7,9H,2-3H2,1H3", + "name": "Mevaldate", + "names": [ + "Mevaldate", + "Mevaldic acid" + ] + }, + { + "compound_id": "C00773", + "inchi": "InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23?,24?,25?,26?,30-,31-/m0/s1", + "name": "Pepstatin", + "names": [ + "Pepstatin" + ] + }, + { + "compound_id": "C00774", + "inchi": "InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2", + "name": "Phloretin", + "names": [ + "Phloretin" + ] + }, + { + "compound_id": "C00775", + "inchi": null, + "name": "Porphyran", + "names": [ + "Porphyran" + ] + }, + { + "compound_id": "C00777", + "inchi": "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+", + "name": "Retinoate", + "names": [ + "(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid", + "3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL)", + "AGN 100335", + "Acide retinoique (French) (DSL)", + "Retinoate", + "Retinoic acid", + "Ro 1-5488", + "Tretin M", + "Tretinoine (French) (EINECS)", + "Vitamin A acid", + "all-(E)-Retinoic acid", + "all-trans-Retinoate", + "all-trans-Retinoic acid", + "all-trans-Tretinoin", + "all-trans-Vitamin A acid", + "all-trans-Vitamin A1 acid", + "all-trans-beta-Retinoic acid", + "beta-Retinoic acid", + "trans-Retinoic acid" + ] + }, + { + "compound_id": "C00778", + "inchi": null, + "name": "Rhodopsin", + "names": [ + "Rhodopsin", + "Visual purple" + ] + }, + { + "compound_id": "C00779", + "inchi": "InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2/t7-/m0/s1", + "name": "Scytalone", + "names": [ + "3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone", + "Scytalone" + ] + }, + { + "compound_id": "C00780", + "inchi": "InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2", + "name": "Serotonin", + "names": [ + "3-(2-Aminoethyl)-1H-indol-5-ol", + "5-Hydroxytryptamine", + "Enteramine", + "Serotonin" + ] + }, + { + "compound_id": "C00783", + "inchi": "InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3", + "name": "Tropinone", + "names": [ + "3-Tropanone", + "Tropinone" + ] + }, + { + "compound_id": "C00785", + "inchi": "InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+", + "name": "Urocanate", + "names": [ + "Urocanate", + "Urocanic acid" + ] + }, + { + "compound_id": "C00786", + "inchi": "InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/t13-/m0/s1", + "name": "(-)-Vestitone", + "names": [ + "(-)-Vestitone", + "Vestitone" + ] + }, + { + "compound_id": "C00787", + "inchi": null, + "name": "tRNA(Tyr)", + "names": [ + "tRNA(Tyr)", + "tRNA-tyr", + "trna-tyr" + ] + }, + { + "compound_id": "C00788", + "inchi": "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1", + "name": "L-Adrenaline", + "names": [ + "(R)-(-)-Adnephrine", + "(R)-(-)-Adrenaline", + "(R)-(-)-Epinephrine", + "(R)-(-)-Epirenamine", + "4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol", + "L-Adrenaline" + ] + }, + { + "compound_id": "C00789", + "inchi": "InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1", + "name": "CDP-ribitol", + "names": [ + "CDP 5-ester with D-ribitol", + "CDP-L-ribitol", + "CDP-ribitol" + ] + }, + { + "compound_id": "C00791", + "inchi": "InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)", + "name": "Creatinine", + "names": [ + "1-Methylglycocyamidine", + "Creatinine" + ] + }, + { + "compound_id": "C00792", + "inchi": "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1", + "name": "D-Arginine", + "names": [ + "D-2-Amino-5-guanidinovaleric acid", + "D-Arginine" + ] + }, + { + "compound_id": "C00793", + "inchi": "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1", + "name": "D-Cysteine", + "names": [ + "D-Amino-3-mercaptopropionic acid", + "D-Cysteine" + ] + }, + { + "compound_id": "C00794", + "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1", + "name": "D-Sorbitol", + "names": [ + "D-Glucitol", + "D-Sorbitol", + "L-Gulitol", + "Sorbitol" + ] + }, + { + "compound_id": "C00795", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1", + "name": "D-Tagatose", + "names": [ + "D-Tagatose", + "lyxo-Hexulose" + ] + }, + { + "compound_id": "C00796", + "inchi": "InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2", + "name": "Dicumarol", + "names": [ + "Dicoumarol", + "Dicumarol" + ] + }, + { + "compound_id": "C00797", + "inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3", + "name": "Ethylamine", + "names": [ + "Ethylamine" + ] + }, + { + "compound_id": "C00798", + "inchi": "InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17?,21-/m1/s1", + "name": "Formyl-CoA", + "names": [ + "Formyl-CoA" + ] + }, + { + "compound_id": "C00799", + "inchi": "InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H", + "name": "Isoflavone", + "names": [ + "Isoflavone" + ] + }, + { + "compound_id": "C00800", + "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)", + "name": "L-Gulonate", + "names": [ + "Gulonate", + "Gulonic acid", + "L-Gulonate", + "L-Gulonic acid" + ] + }, + { + "compound_id": "C00801", + "inchi": null, + "name": "Nucleoside", + "names": [ + "Nucleoside" + ] + }, + { + "compound_id": "C00802", + "inchi": "InChI=1S/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9)", + "name": "Oxalureate", + "names": [ + "Monooxalylurea", + "Oxalurate", + "Oxalureate", + "Oxaluric acid" + ] + }, + { + "compound_id": "C00803", + "inchi": "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)", + "name": "Pentanoate", + "names": [ + "Pentanoate", + "Pentanoic acid", + "Valerate", + "Valerianic acid", + "Valeric acid", + "n-Pentanoate", + "n-Valeric acid" + ] + }, + { + "compound_id": "C00804", + "inchi": "InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)", + "name": "Propynoate", + "names": [ + "Acetylenecarboxylic acid", + "Acetylenemonocarboxylate", + "Propiolic acid", + "Propynoate" + ] + }, + { + "compound_id": "C00805", + "inchi": "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)", + "name": "Salicylate", + "names": [ + "Salicylate", + "Salicylic acid", + "o-Hydroxybenzoic acid" + ] + }, + { + "compound_id": "C00806", + "inchi": "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)", + "name": "Tryptophan", + "names": [ + "Tryptophan", + "alpha-Amino-beta-(3-indolyl)-propionic acid" + ] + }, + { + "compound_id": "C00807", + "inchi": null, + "name": "Xyloglucan", + "names": [ + "Xyloglucan" + ] + }, + { + "compound_id": "C00808", + "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10-/m0/s1", + "name": "(+)-Camphor", + "names": [ + "(+)-Camphor", + "d-Camphor" + ] + }, + { + "compound_id": "C00809", + "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3", + "name": "(-)-Camphor", + "names": [ + "(-)-Camphor" + ] + }, + { + "compound_id": "C00810", + "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1", + "name": "(R)-Acetoin", + "names": [ + "(R)-2-Acetoin", + "(R)-3-Hydroxy-2-butanone", + "(R)-3-Hydroxybutan-2-one", + "(R)-Acetoin", + "(R)-Dimethylketol" + ] + }, + { + "compound_id": "C00811", + "inchi": "InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+", + "name": "4-Coumarate", + "names": [ + "4-Coumarate", + "4-Hydroxycinnamate", + "4-Hydroxycinnamic acid", + "p-Coumaric acid", + "trans-4-Hydroxycinnamate", + "trans-p-Hydroxycinnamate" + ] + }, + { + "compound_id": "C00812", + "inchi": null, + "name": "Alkyl thiol", + "names": [ + "Alkyl thiol" + ] + }, + { + "compound_id": "C00813", + "inchi": "InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)", + "name": "Barbiturate", + "names": [ + "Barbiturate", + "Barbituric acid", + "Malonylurea" + ] + }, + { + "compound_id": "C00814", + "inchi": "InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3", + "name": "Biochanin A", + "names": [ + "Biochanin A" + ] + }, + { + "compound_id": "C00815", + "inchi": "InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)", + "name": "Citramalate", + "names": [ + "2-Methylmalic acid", + "Citramalate", + "Citramalic acid", + "alpha-Hydroxypyrotartaric acid" + ] + }, + { + "compound_id": "C00816", + "inchi": null, + "name": "Collagenase", + "names": [ + "Collagenase" + ] + }, + { + "compound_id": "C00817", + "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4-,5+/m1/s1", + "name": "D-Altronate", + "names": [ + "D-Altronate" + ] + }, + { + "compound_id": "C00818", + "inchi": "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1", + "name": "D-Glucarate", + "names": [ + "D-Glucarate", + "D-Glucaric acid", + "D-Glucosaccharic acid", + "D-Saccharic acid", + "Glucarate", + "Glucaric acid", + "L-Gularic acid" + ] + }, + { + "compound_id": "C00819", + "inchi": "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1", + "name": "D-Glutamine", + "names": [ + "D-2-Aminoglutaramic acid", + "D-Glutamine" + ] + }, + { + "compound_id": "C00820", + "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1", + "name": "D-Threonine", + "names": [ + "D-2-Amino-3-hydroxybutyric acid", + "D-Threonine" + ] + }, + { + "compound_id": "C00821", + "inchi": null, + "name": "DNA adenine", + "names": [ + "DNA adenine" + ] + }, + { + "compound_id": "C00822", + "inchi": "InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1", + "name": "Dopaquinone", + "names": [ + "Dopaquinone" + ] + }, + { + "compound_id": "C00823", + "inchi": "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3", + "name": "1-Hexadecanol", + "names": [ + "1-Hexadecanol", + "16-Hexadecanol", + "Cetyl alcohol", + "Hexadecanol", + "Palmityl alcohol" + ] + }, + { + "compound_id": "C00824", + "inchi": null, + "name": "Iron-sulfur", + "names": [ + "Iron-sulfur", + "Iron-sulfur cluster" + ] + }, + { + "compound_id": "C00825", + "inchi": "InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", + "name": "Kanamycin B", + "names": [ + "Bekanamycin", + "Kanamycin B", + "Nebramycin factor 5" + ] + }, + { + "compound_id": "C00826", + "inchi": "InChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1", + "name": "L-Arogenate", + "names": [ + "L-Arogenate", + "L-Arogenic acid", + "Pretyrosine" + ] + }, + { + "compound_id": "C00827", + "inchi": "InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18?,22-/m1/s1", + "name": "Lactoyl-CoA", + "names": [ + "Lactoyl-CoA" + ] + }, + { + "compound_id": "C00828", + "inchi": "InChI=1S/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+", + "name": "Menaquinone", + "names": [ + "Menaquinone", + "Vitamin K2" + ] + }, + { + "compound_id": "C00829", + "inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H", + "name": "Naphthalene", + "names": [ + "Naphthalene" + ] + }, + { + "compound_id": "C00830", + "inchi": "InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)", + "name": "Oxomalonate", + "names": [ + "Ketomalonic acid", + "Mesoxalic acid", + "Oxomalonate", + "Oxomalonic acid" + ] + }, + { + "compound_id": "C00831", + "inchi": "InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1", + "name": "Pantetheine", + "names": [ + "(R)-Pantetheine", + "Pantetheine" + ] + }, + { + "compound_id": "C00832", + "inchi": "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", + "name": "Paromomycin", + "names": [ + "Aminosidin", + "Catenulin", + "Hydroxymycin", + "Monomycin A", + "Neomycin E", + "Paromomycin", + "Paromomycin I", + "Zygomycin A1" + ] + }, + { + "compound_id": "C00835", + "inchi": "InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1", + "name": "Sepiapterin", + "names": [ + "Sepiapterin" + ] + }, + { + "compound_id": "C00836", + "inchi": "InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1", + "name": "Sphinganine", + "names": [ + "2-Amino-1,3-dihydroxyoctadecane", + "Dihydrosphingosine", + "Sphinganine" + ] + }, + { + "compound_id": "C00837", + "inchi": "InChI=1S/C8H18N6O4/c9-7(10)13-1-3(15)2(14-8(11)12)5(17)6(18)4(1)16/h1-6,15-18H,(H4,9,10,13)(H4,11,12,14)/t1-,2+,3-,4+,5-,6-", + "name": "Streptidine", + "names": [ + "Streptidine" + ] + }, + { + "compound_id": "C00839", + "inchi": null, + "name": "Tropomyosin", + "names": [ + "Tropomyosin", + "Tropomyosin serine", + "Unphosphorylated tropomyosin" + ] + }, + { + "compound_id": "C00840", + "inchi": null, + "name": "Vasopressin", + "names": [ + "ADH", + "Antidiuretic hormone", + "VP", + "Vasopressin" + ] + }, + { + "compound_id": "C00841", + "inchi": "InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H", + "name": "Xanthotoxol", + "names": [ + "8-Hydroxyfuranocoumarin", + "8-Hydroxypsoralen", + "Xanthotoxol" + ] + }, + { + "compound_id": "C00842", + "inchi": "InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1", + "name": "dTDP-glucose", + "names": [ + "dTDP-D-glucose", + "dTDP-alpha-D-glucose", + "dTDP-glucose", + "dtdpglucose" + ] + }, + { + "compound_id": "C00843", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1", + "name": "(-)-Menthone", + "names": [ + "(-)-Menthone", + "l-Menthone", + "p-Menthan-3-one" + ] + }, + { + "compound_id": "C00844", + "inchi": "InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14?/m1/s1", + "name": "(R)-Prunasin", + "names": [ + "(R)-Prunasin" + ] + }, + { + "compound_id": "C00845", + "inchi": "InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20?,24-/m1/s1", + "name": "2-Furoyl-CoA", + "names": [ + "2-Furoyl-CoA" + ] + }, + { + "compound_id": "C00846", + "inchi": "InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)", + "name": "3-Oxoadipate", + "names": [ + "3-Keto-adipate", + "3-Oxoadipate", + "3-Oxoadipic acid" + ] + }, + { + "compound_id": "C00847", + "inchi": "InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)", + "name": "4-Pyridoxate", + "names": [ + "4-Pyridoxate", + "4-Pyridoxic acid" + ] + }, + { + "compound_id": "C00848", + "inchi": "InChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3", + "name": "6-Oxocineole", + "names": [ + "(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one", + "6-Oxocineole" + ] + }, + { + "compound_id": "C00849", + "inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3", + "name": "Ethyl acetate", + "names": [ + "Ethyl acetate" + ] + }, + { + "compound_id": "C00850", + "inchi": "InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)", + "name": "Aryl sulfate", + "names": [ + "Aryl sulfate" + ] + }, + { + "compound_id": "C00852", + "inchi": "InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1", + "name": "Chlorogenate", + "names": [ + "Caffeoyl quinic acid", + "Chlorogenate", + "Chlorogenic acid", + "trans-5-O-Caffeoyl-D-quinate" + ] + }, + { + "compound_id": "C00853", + "inchi": "InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+1/p-1/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;/m1./s1", + "name": "Cob(I)alamin", + "names": [ + "Cbl", + "Cob(I)alamin", + "Vitamin B12s" + ] + }, + { + "compound_id": "C00854", + "inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2", + "name": "Cyclohexanol", + "names": [ + "Cyclohexan-1-ol", + "Cyclohexanol", + "Hexahydrophenol", + "Hexalin" + ] + }, + { + "compound_id": "C00855", + "inchi": "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1", + "name": "D-Methionine", + "names": [ + "D-2-Amino-4-(methylthio)butyric acid", + "D-Methionine" + ] + }, + { + "compound_id": "C00856", + "inchi": null, + "name": "DNA cytosine", + "names": [ + "Cytosine (in DNA)", + "DNA cytosine" + ] + }, + { + "compound_id": "C00857", + "inchi": "InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1", + "name": "Deamino-NAD+", + "names": [ + "Deamido-NAD", + "Deamido-NAD+", + "Deamino-NAD+", + "desamino nad" + ] + }, + { + "compound_id": "C00858", + "inchi": "InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3", + "name": "Formononetin", + "names": [ + "Formononetin" + ] + }, + { + "compound_id": "C00859", + "inchi": "InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1", + "name": "Gibberellin A1", + "names": [ + "Gibberellin 1", + "Gibberellin A1" + ] + }, + { + "compound_id": "C00860", + "inchi": "InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1", + "name": "L-Histidinol", + "names": [ + "L-Histidinol" + ] + }, + { + "compound_id": "C00861", + "inchi": "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5-,6-/m0/s1", + "name": "L-Rhamnulose", + "names": [ + "L-Rhamnulose" + ] + }, + { + "compound_id": "C00862", + "inchi": "InChI=1S/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)/t23?,24?,25-,26-/m0/s1", + "name": "Methanofuran", + "names": [ + "Carbon dioxide reduction factor", + "Methanofuran" + ] + }, + { + "compound_id": "C00863", + "inchi": null, + "name": "Monoterpenol", + "names": [ + "Monoterpenol" + ] + }, + { + "compound_id": "C00864", + "inchi": "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1", + "name": "Pantothenate", + "names": [ + "(R)-Pantothenate", + "Pantothenate", + "Pantothenic acid" + ] + }, + { + "compound_id": "C00865", + "inchi": null, + "name": "Phospholipid", + "names": [ + "Phospholipid" + ] + }, + { + "compound_id": "C00868", + "inchi": null, + "name": "tRNA uridine", + "names": [ + "tRNA uridine" + ] + }, + { + "compound_id": "C00869", + "inchi": "InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)", + "name": "2-Oxooctadecanoic acid", + "names": [ + "2-Oxooctadecanoic acid", + "2-Oxostearate" + ] + }, + { + "compound_id": "C00870", + "inchi": "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H", + "name": "4-Nitrophenol", + "names": [ + "4-Hydroxynitrobenzene", + "4-Nitrophenol", + "Niphen", + "PNP", + "p-Nitrophenol" + ] + }, + { + "compound_id": "C00871", + "inchi": null, + "name": "Alkylated DNA", + "names": [ + "Alkylated DNA" + ] + }, + { + "compound_id": "C00872", + "inchi": "InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)", + "name": "Aminomalonate", + "names": [ + "2-Aminomalonic acid", + "Aminomalonate", + "Aminomalonic acid" + ] + }, + { + "compound_id": "C00873", + "inchi": "InChI=1S/C62H89N17O14/c1-7-35(6)51(78-56(87)44(25-37-17-19-40(80)20-18-37)74-58(89)50(34(4)5)77-53(84)42(15-11-21-68-62(64)65)71-52(83)41(63)28-49(81)82)59(90)75-46(27-39-30-67-32-70-39)60(91)79-22-12-16-48(79)57(88)73-43(24-36-13-9-8-10-14-36)54(85)72-45(26-38-29-66-31-69-38)55(86)76-47(61(92)93)23-33(2)3/h8-10,13-14,17-20,29-35,41-48,50-51,80H,7,11-12,15-16,21-28,63H2,1-6H3,(H,66,69)(H,67,70)(H,71,83)(H,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,84)(H,78,87)(H,81,82)(H,92,93)(H4,64,65,68)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,50-,51-/m0/s1", + "name": "Angiotensin I", + "names": [ + "Angiotensin I" + ] + }, + { + "compound_id": "C00875", + "inchi": null, + "name": "Cephalosporin", + "names": [ + "Cephalosporin" + ] + }, + { + "compound_id": "C00876", + "inchi": "InChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,35-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1", + "name": "Coenzyme F420", + "names": [ + "Coenzyme F420" + ] + }, + { + "compound_id": "C00877", + "inchi": "InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20?,24-/m1/s1", + "name": "Crotonoyl-CoA", + "names": [ + "2-Butenoyl-CoA", + "But-2-enoyl-CoA", + "Crotonoyl-CoA", + "Crotonyl-CoA", + "cis-but-2-enoyl-coa", + "trans-But-2-enoyl-CoA", + "trans-but-2-enoyl-coenzyme a" + ] + }, + { + "compound_id": "C00878", + "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1", + "name": "D-Arabinonate", + "names": [ + "D-Arabinonate", + "D-Arabinonic acid" + ] + }, + { + "compound_id": "C00879", + "inchi": "InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-", + "name": "D-Galactarate", + "names": [ + "D-Galactarate", + "D-Galactaric acid", + "D-Mucic acid", + "Galactarate", + "Galactaric acid", + "Mucic acid" + ] + }, + { + "compound_id": "C00880", + "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1", + "name": "D-Galactonate", + "names": [ + "D-Galactonate", + "D-Galactonic acid" + ] + }, + { + "compound_id": "C00881", + "inchi": "InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1", + "name": "Deoxycytidine", + "names": [ + "2'-Deoxycytidine", + "Deoxycytidine" + ] + }, + { + "compound_id": "C00882", + "inchi": "InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1", + "name": "Dephospho-CoA", + "names": [ + "3'-Dephospho-CoA", + "Dephospho-CoA", + "Dephosphocoenzyme A" + ] + }, + { + "compound_id": "C00883", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15?,16-,17+,18?/m1/s1", + "name": "Galactomannan", + "names": [ + "Galactomannan", + "Galactomannoglycan" + ] + }, + { + "compound_id": "C00884", + "inchi": "InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1", + "name": "Homocarnosine", + "names": [ + "Homocarnosine", + "L-Homocarnosine", + "N-(4-Amino-1-oxobutyryl)histidine", + "gamma-Aminobutyryl histidine" + ] + }, + { + "compound_id": "C00885", + "inchi": "InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1", + "name": "Isochorismate", + "names": [ + "Isochorismate", + "Isochorismic acid" + ] + }, + { + "compound_id": "C00886", + "inchi": null, + "name": "L-Alanyl-tRNA", + "names": [ + "L-Alanyl-tRNA", + "L-Alanyl-tRNA(Ala)" + ] + }, + { + "compound_id": "C00887", + "inchi": "InChI=1S/N2O/c1-2-3", + "name": "Nitrous oxide", + "names": [ + "Dinitrogen monoxide", + "Dinitrogen oxide", + "N2O", + "Nitrous oxide" + ] + }, + { + "compound_id": "C00888", + "inchi": "InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", + "name": "Pentanoyl-CoA", + "names": [ + "Pentanoyl-CoA", + "Valeryl-coenzyme A" + ] + }, + { + "compound_id": "C00889", + "inchi": null, + "name": "Peptidoglycan", + "names": [ + "Mucopeptide", + "Murein", + "Peptideglycan", + "Peptidoglycan" + ] + }, + { + "compound_id": "C00891", + "inchi": "InChI=1S/C21H34O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h14-19H,3-13H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1", + "name": "Pregnan-21-al", + "names": [ + "Pregnan-21-al" + ] + }, + { + "compound_id": "C00892", + "inchi": "InChI=1S/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1", + "name": "Pregnan-21-ol", + "names": [ + "5-beta-Pregnan-21-ol", + "Pregnan-21-ol" + ] + }, + { + "compound_id": "C00893", + "inchi": null, + "name": "Primary monoamine", + "names": [ + "Primary amine", + "Primary monoamine" + ] + }, + { + "compound_id": "C00894", + "inchi": "InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1", + "name": "Propenoyl-CoA", + "names": [ + "Acryloyl-CoA", + "Acrylyl-CoA", + "Propenoyl-CoA" + ] + }, + { + "compound_id": "C00895", + "inchi": "InChI=1S/C30H37N15O16P2/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(58-28)2-55-62(51,52)61-21-12(59-30(19(21)50)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-10(1-46)57-29(18(20)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-50H,1-3H2,(H,51,52)(H,53,54)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1", + "name": "RNA (poly(A))", + "names": [ + "Poly(A)", + "Polyadenylic acid", + "RNA (poly(A))" + ] + }, + { + "compound_id": "C00896", + "inchi": "InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1", + "name": "Tos-Lys-CH2Cl", + "names": [ + "Tos-Lys-CH2Cl" + ] + }, + { + "compound_id": "C00897", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1", + "name": "alpha-Maltose", + "names": [ + "alpha-Malt sugar", + "alpha-Maltose" + ] + }, + { + "compound_id": "C00898", + "inchi": "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1", + "name": "(R,R)-Tartaric acid", + "names": [ + "(+)-Tartaric acid", + "(2R,3R)-Tartaric acid", + "(R,R)-Tartaric acid", + "(R,R)-Tartrate", + "2,3-Dihydroxybutanedioic acid", + "L-Tartaric acid", + "Tartaric acid", + "Tartrate" + ] + }, + { + "compound_id": "C00899", + "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+", + "name": "11-cis-Retinol", + "names": [ + "11-cis-Retinol" + ] + }, + { + "compound_id": "C00900", + "inchi": "InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)", + "name": "2-Acetolactate", + "names": [ + "2-Acetolactate", + "alpha-Acetolactic acid" + ] + }, + { + "compound_id": "C00902", + "inchi": "InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)", + "name": "2-Oxohexanoic acid", + "names": [ + "2-Oxohexanoate", + "2-Oxohexanoic acid", + "alpha-Ketocaproic acid" + ] + }, + { + "compound_id": "C00903", + "inchi": "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+", + "name": "Cinnamaldehyde", + "names": [ + "Cinnamaldehyde" + ] + }, + { + "compound_id": "C00904", + "inchi": "InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19?,23-,26?/m1/s1", + "name": "Citramalyl-CoA", + "names": [ + "Citramalyl-CoA" + ] + }, + { + "compound_id": "C00905", + "inchi": "InChI=1S/C6H10O7/c7-1-6(12)4(9)2(8)3(13-6)5(10)11/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3+,4+,6?/m1/s1", + "name": "D-Fructuronate", + "names": [ + "D-Fructuronate", + "D-Fructuronic acid" + ] + }, + { + "compound_id": "C00906", + "inchi": "InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)", + "name": "5,6-Dihydrothymine", + "names": [ + "5,6-Dihydro-5-methyluracil", + "5,6-Dihydrothymine", + "Dihydrothymine" + ] + }, + { + "compound_id": "C00908", + "inchi": "InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1", + "name": "Gentamicin C1a", + "names": [ + "Gentamicin C1a" + ] + }, + { + "compound_id": "C00909", + "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1", + "name": "Leukotriene A4", + "names": [ + "(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate", + "(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoate", + "(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid", + "(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate", + "LTA4", + "Leukotriene A4" + ] + }, + { + "compound_id": "C00911", + "inchi": null, + "name": "Ribonucleoside", + "names": [ + "Ribonucleoside" + ] + }, + { + "compound_id": "C00912", + "inchi": null, + "name": "alpha-D-Glucan", + "names": [ + "alpha-D-Glucan" + ] + }, + { + "compound_id": "C00913", + "inchi": "InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3", + "name": "3-Methyladenine", + "names": [ + "3-Methyladenine" + ] + }, + { + "compound_id": "C00915", + "inchi": "InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2", + "name": "Benzyl viologen", + "names": [ + "Benzyl viologen" + ] + }, + { + "compound_id": "C00916", + "inchi": "InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1", + "name": "Cephalosporin C", + "names": [ + "Cephalosporin C" + ] + }, + { + "compound_id": "C00917", + "inchi": null, + "name": "Chelating agent", + "names": [ + "Chelating agent", + "Metal chelator" + ] + }, + { + "compound_id": "C00918", + "inchi": "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1", + "name": "Chloramphenicol", + "names": [ + "Chloramphenicol" + ] + }, + { + "compound_id": "C00919", + "inchi": "InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3", + "name": "Choline sulfate", + "names": [ + "Choline sulfate" + ] + }, + { + "compound_id": "C00920", + "inchi": "InChI=1S/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(61-17)41-14-39-21-25(33)37-13-38-26(21)41/h13-17,22-24,29,46-47H,3-12,32H2,1-2H3,(H,34,42)(H,35,49)(H,36,48)(H,40,43)(H,44,45)(H,50,51)(H,55,56)(H,57,58)(H2,33,37,38)(H2,52,53,54)/t15-,16-,17+,22+,23+,24?,29+/m0/s1", + "name": "CoA-glutathione", + "names": [ + "CoA-glutathione", + "Coenzyme A-glutathione mixed disulfide" + ] + }, + { + "compound_id": "C00921", + "inchi": "InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)", + "name": "Dihydropteroate", + "names": [ + "7,8-Dihydropteroate", + "Dihydropteroate" + ] + }, + { + "compound_id": "C00922", + "inchi": "InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3-", + "name": "2,3-Dimethylmaleate", + "names": [ + "2,3-Dimethylmaleate", + "Dimethylmaleate", + "Dimethylmaleic acid", + "dimethylmaleate" + ] + }, + { + "compound_id": "C00923", + "inchi": null, + "name": "Ferricytochrome", + "names": [ + "Ferricytochrome" + ] + }, + { + "compound_id": "C00924", + "inchi": null, + "name": "Ferrocytochrome", + "names": [ + "Ferrocytochrome" + ] + }, + { + "compound_id": "C00925", + "inchi": null, + "name": "Heparan sulfate", + "names": [ + "Heparan sulfate", + "Heparin monosulfate", + "Heparin sulfate", + "Heparitin sulfate" + ] + }, + { + "compound_id": "C00927", + "inchi": "InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17-,19+/m0/s1", + "name": "Isonocardicin A", + "names": [ + "1-Azetidineacetic acid", + "Isonocardicin A" + ] + }, + { + "compound_id": "C00928", + "inchi": "InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2", + "name": "Mercaptoethanol", + "names": [ + "2-Mercaptoethanol", + "Mercaptoethanol", + "Thioglycol" + ] + }, + { + "compound_id": "C00929", + "inchi": null, + "name": "Oligonucleotide", + "names": [ + "Oligonucleotide" + ] + }, + { + "compound_id": "C00930", + "inchi": null, + "name": "Oligosaccharide", + "names": [ + "Oligosaccharide" + ] + }, + { + "compound_id": "C00931", + "inchi": "InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)", + "name": "Porphobilinogen", + "names": [ + "Porphobilinogen" + ] + }, + { + "compound_id": "C00933", + "inchi": "InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1", + "name": "Sinapine", + "names": [ + "Sinapine", + "Sinapoylcholine" + ] + }, + { + "compound_id": "C00934", + "inchi": null, + "name": "Sugar phosphate", + "names": [ + "Sugar phosphate" + ] + }, + { + "compound_id": "C00935", + "inchi": "InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12?,13+/m0/s1", + "name": "UDP-L-arabinose", + "names": [ + "UDP-L-arabinopyranose", + "UDP-L-arabinose", + "UDP-beta-L-arabinopyranose" + ] + }, + { + "compound_id": "C00936", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1", + "name": "alpha-D-Mannose", + "names": [ + "alpha-D-Mannose" + ] + }, + { + "compound_id": "C00937", + "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1", + "name": "(R)-Lactaldehyde", + "names": [ + "(R)-Lactaldehyde", + "D-2-Hydroxypropionaldehyde", + "D-Lactaldehyde" + ] + }, + { + "compound_id": "C00938", + "inchi": null, + "name": "1,3-beta-D-Xylan", + "names": [ + "1,3-beta-D-Xylan" + ] + }, + { + "compound_id": "C00939", + "inchi": "InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1", + "name": "2-Aminoadenosine", + "names": [ + "2-Aminoadenosine" + ] + }, + { + "compound_id": "C00940", + "inchi": "InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)", + "name": "2-Oxoglutaramate", + "names": [ + "2-Ketoglutaramate", + "2-Oxoglutaramate", + "2-Oxoglutaramic acid", + "alpha-Ketoglutaramate" + ] + }, + { + "compound_id": "C00941", + "inchi": "InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1", + "name": "3',5'-Cyclic CMP", + "names": [ + "3',5'-Cyclic CMP", + "Cytidine 3',5'-cyclic monophosphate" + ] + }, + { + "compound_id": "C00942", + "inchi": "InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", + "name": "3',5'-Cyclic GMP", + "names": [ + "3',5'-Cyclic GMP", + "Cyclic GMP", + "Guanosine 3',5'-cyclic monophosphate", + "Guanosine 3',5'-cyclic phosphate", + "cGMP", + "guanosine 3 ',5 '-cyclic phosphate", + "guanosine 3':5'-(cyclic)phosphate" + ] + }, + { + "compound_id": "C00943", + "inchi": "InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1", + "name": "3',5'-Cyclic IMP", + "names": [ + "3',5'-Cyclic IMP", + "Inosine 3',5'-cyclic monophosphate", + "inosine 3':5'-(cyclic)phosphate" + ] + }, + { + "compound_id": "C00944", + "inchi": "InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1", + "name": "3-Dehydroquinate", + "names": [ + "3-Dehydroquinate", + "3-Dehydroquinic acid", + "5-Dehydroquinate", + "5-Dehydroquinic acid" + ] + }, + { + "compound_id": "C00946", + "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine 2'-phosphate", + "names": [ + "2'-Adenylic acid", + "AMP 2'-phosphate", + "Adenosine 2'-phosphate", + "Adenosine-2'-monophosphate" + ] + }, + { + "compound_id": "C00949", + "inchi": null, + "name": "Cytochrome c-552", + "names": [ + "Cytochrome c-552" + ] + }, + { + "compound_id": "C00950", + "inchi": "InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+", + "name": "Dithioerythritol", + "names": [ + "DTE", + "Dithioerythritol", + "erythro-1,4-Dimercapto-2,3-butanediol" + ] + }, + { + "compound_id": "C00951", + "inchi": "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1", + "name": "Estradiol-17beta", + "names": [ + "Estradiol", + "Estradiol-17", + "Estradiol-17beta", + "beta-Estradiol", + "estradiol-17" + ] + }, + { + "compound_id": "C00952", + "inchi": null, + "name": "Fibrinopeptide A", + "names": [ + "Fibrinopeptide A" + ] + }, + { + "compound_id": "C00954", + "inchi": "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)", + "name": "Indole-3-acetate", + "names": [ + "(Indol-3-yl)acetate", + "IAA", + "Indole-3-acetate", + "Indole-3-acetic acid", + "Indoleacetate", + "Indoleacetic acid" + ] + }, + { + "compound_id": "C00955", + "inchi": "InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2", + "name": "Indole-3-ethanol", + "names": [ + "Indole-3-ethanol", + "Tryptophol" + ] + }, + { + "compound_id": "C00956", + "inchi": "InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1", + "name": "L-2-Aminoadipate", + "names": [ + "L-2-Aminoadipate", + "L-2-Aminoadipic acid", + "L-2-Aminohexanedioate", + "L-alpha-Aminoadipate", + "L-alpha-Aminoadipic acid" + ] + }, + { + "compound_id": "C00957", + "inchi": "InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)", + "name": "Mercaptopyruvate", + "names": [ + "3-Mercaptopyruvate", + "3-Mercaptopyruvic acid", + "Mercaptopyruvate" + ] + }, + { + "compound_id": "C00958", + "inchi": null, + "name": "Plasmenylcholine", + "names": [ + "1-Alkenyl-2-acylglycerophosphocholine", + "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphocholine", + "Choline plasmalogen", + "Plasmenylcholine" + ] + }, + { + "compound_id": "C00959", + "inchi": "InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1", + "name": "Prostaglandin B1", + "names": [ + "PGB1", + "Prostaglandin B1" + ] + }, + { + "compound_id": "C00960", + "inchi": null, + "name": "RNA 5'-phosphate", + "names": [ + "RNA 5'-phosphate" + ] + }, + { + "compound_id": "C00961", + "inchi": "InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1", + "name": "Sterigmatocystin", + "names": [ + "Sterigmatocystin" + ] + }, + { + "compound_id": "C00962", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1", + "name": "beta-D-Galactose", + "names": [ + "beta-D-Galactose" + ] + }, + { + "compound_id": "C00963", + "inchi": null, + "name": "beta-D-Glucoside", + "names": [ + "beta-D-Glucoside" + ] + }, + { + "compound_id": "C00964", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1", + "name": "(-)-trans-Carveol", + "names": [ + "(-)-trans-Carveol" + ] + }, + { + "compound_id": "C00965", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1", + "name": "(1->3)-beta-D-glucan", + "names": [ + "(1->3)-beta-D-glucan" + ] + }, + { + "compound_id": "C00966", + "inchi": "InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)", + "name": "2-Dehydropantoate", + "names": [ + "2-Dehydropantoate" + ] + }, + { + "compound_id": "C00968", + "inchi": "InChI=1S/C10H12N5O5P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5-6(19-7)2-18-21(16,17)20-5/h3-7H,1-2H2,(H,16,17)(H2,11,12,13)/t5-,6+,7+/m0/s1", + "name": "3',5'-Cyclic dAMP", + "names": [ + "2'-deoxyadenosine 3':5'-(cyclic)phosphate", + "3',5'-Cyclic dAMP" + ] + }, + { + "compound_id": "C00969", + "inchi": "InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2", + "name": "3-Hydroxypropanal", + "names": [ + "3-Hydroxypropanal" + ] + }, + { + "compound_id": "C00971", + "inchi": "InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3", + "name": "4-Pyridoxolactone", + "names": [ + "4-Pyridoxic acid lactone", + "4-Pyridoxolactone" + ] + }, + { + "compound_id": "C00972", + "inchi": null, + "name": "Aromatic oxo acid", + "names": [ + "Aromatic oxo acid" + ] + }, + { + "compound_id": "C00973", + "inchi": "InChI=1S/C24H40O20/c1-5-9(28)19-24(44-35)43-20(5)39-16-6(2-25)36-21(13(32)10(16)29)40-17-7(3-26)37-22(14(33)11(17)30)41-18-8(4-27)38-23(42-19)15(34)12(18)31/h5-35H,2-4H2,1H3/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1", + "name": "Cyclomaltodextrin", + "names": [ + "Cyclomaltodextrin" + ] + }, + { + "compound_id": "C00974", + "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1", + "name": "Dihydrokaempferol", + "names": [ + "(+)-Aromadendrin", + "(+)-Dihydrokaempferol", + "Aromadendrin", + "Dihydrokaempferol" + ] + }, + { + "compound_id": "C00975", + "inchi": "InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5-6H,(H,7,8)(H,9,10)/b2-1+", + "name": "Dihydroxyfumarate", + "names": [ + "(e)-dihydroxyfumarate", + "Dihydroxyfumarate", + "Dihydroxyfumaric acid" + ] + }, + { + "compound_id": "C00976", + "inchi": "InChI=1S/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/t3-,5-,6+,7+,8-,9+,10+,13-,15-/m1/s1", + "name": "GDP-D-mannuronate", + "names": [ + "GDP-D-mannuronate", + "GDP-D-mannuronic acid" + ] + }, + { + "compound_id": "C00977", + "inchi": "InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1", + "name": "L-Tryptophanamide", + "names": [ + "L-Tryptophanamide" + ] + }, + { + "compound_id": "C00978", + "inchi": "InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)", + "name": "N-Acetylserotonin", + "names": [ + "N-Acetyl-5-hydroxytryptamine", + "N-Acetylserotonin" + ] + }, + { + "compound_id": "C00979", + "inchi": "InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1", + "name": "O-Acetyl-L-serine", + "names": [ + "O-Acetyl-L-serine", + "O3-Acetyl-L-serine" + ] + }, + { + "compound_id": "C00980", + "inchi": null, + "name": "Polyvinyl alcohol", + "names": [ + "PVA", + "Polyvinyl alcohol" + ] + }, + { + "compound_id": "C00982", + "inchi": "InChI=1S/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,27,30H,15-16H2", + "name": "Renilla luciferin", + "names": [ + "Renilla luciferin" + ] + }, + { + "compound_id": "C00984", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1", + "name": "alpha-D-Galactose", + "names": [ + "alpha-D-Galactose" + ] + }, + { + "compound_id": "C00985", + "inchi": "InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);/q;+1", + "name": "p-Mercuribenzoate", + "names": [ + "p-Mercuribanzoic acid", + "p-Mercuribenzoate" + ] + }, + { + "compound_id": "C00986", + "inchi": "InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2", + "name": "1,3-Diaminopropane", + "names": [ + "1,3-Diaminopropane", + "1,3-Propanediamine", + "Propane-1,3-diamine", + "Trimethylenediamine" + ] + }, + { + "compound_id": "C00988", + "inchi": "InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)", + "name": "2-Phosphoglycolate", + "names": [ + "2-Phosphoglycolate", + "Phosphoglycolic acid" + ] + }, + { + "compound_id": "C00989", + "inchi": "InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)", + "name": "4-Hydroxybutanoic acid", + "names": [ + "4-Hydroxybutanoate", + "4-Hydroxybutanoic acid", + "4-Hydroxybutyric acid" + ] + }, + { + "compound_id": "C00990", + "inchi": "InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8)", + "name": "5-Aminopentanamide", + "names": [ + "5-Aminopentanamide" + ] + }, + { + "compound_id": "C00991", + "inchi": null, + "name": "alpha-D-Aldose 1-phosphate", + "names": [ + "Monosaccharide 1-phosphate", + "alpha-D-Aldose 1-phosphate", + "beta-L-Aldose 1-phosphate" + ] + }, + { + "compound_id": "C00992", + "inchi": "InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", + "name": "Aquacob(III)alamin", + "names": [ + "Aquacob(III)alamin", + "Aquacobalamin" + ] + }, + { + "compound_id": "C00993", + "inchi": "InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1", + "name": "D-Alanyl-D-alanine", + "names": [ + "D-Ala-D-Ala", + "D-Alanyl-D-alanine" + ] + }, + { + "compound_id": "C00994", + "inchi": "InChI=1S/C13H14O8/c1-7(14)11(18)21-8-2-4-13(5-3-8,12(19)20)6-9(15)10(16)17/h2-5,7-8,14H,6H2,1H3,(H,16,17)(H,19,20)/t7-,8-,13+/m1/s1", + "name": "D-Prephenyllactate", + "names": [ + "D-Prephenyllactate" + ] + }, + { + "compound_id": "C00995", + "inchi": null, + "name": "Ferricytochrome b1", + "names": [ + "Ferricytochrome b1" + ] + }, + { + "compound_id": "C00996", + "inchi": null, + "name": "Ferricytochrome b5", + "names": [ + "Ferricytochrome b5" + ] + }, + { + "compound_id": "C00997", + "inchi": null, + "name": "Ferricytochrome c2", + "names": [ + "Ferricytochrome c2" + ] + }, + { + "compound_id": "C00998", + "inchi": null, + "name": "Ferrocytochrome b1", + "names": [ + "Ferrocytochrome b1" + ] + }, + { + "compound_id": "C00999", + "inchi": null, + "name": "Ferrocytochrome b5", + "names": [ + "Ferrocytochrome b5" + ] + }, + { + "compound_id": "C01000", + "inchi": null, + "name": "Ferrocytochrome c2", + "names": [ + "Ferrocytochrome c2" + ] + }, + { + "compound_id": "C01001", + "inchi": "InChI=1S/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,15,18-19,24-27H,5-14,16-17H2,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t24?,25?,26-,27-/m0/s1", + "name": "Formylmethanofuran", + "names": [ + "Formylmethanofuran" + ] + }, + { + "compound_id": "C01002", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)", + "name": "Hexose 1-phosphate", + "names": [ + "Hexose 1-phosphate" + ] + }, + { + "compound_id": "C01003", + "inchi": null, + "name": "Myosin light chain", + "names": [ + "Myosin light chain" + ] + }, + { + "compound_id": "C01004", + "inchi": "InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3", + "name": "N-Methylnicotinate", + "names": [ + "1-Methylpyridinio-3-carboxylate", + "Betaine nicotinate", + "Caffearin", + "Gynesine", + "N-Methylnicotinate", + "Trigenelline", + "Trigonelline" + ] + }, + { + "compound_id": "C01005", + "inchi": "InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1", + "name": "O-Phospho-L-serine", + "names": [ + "3-Phosphoserine", + "Dexfosfoserine", + "L-O-Phosphoserine", + "O-Phospho-L-serine" + ] + }, + { + "compound_id": "C01007", + "inchi": "InChI=1S/C17H22N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,18,22-25H,5-6H2,1-2H3,(H2,19,20,26,27)/t11-,12+,14-/m0/s1", + "name": "Reduced riboflavin", + "names": [ + "Reduced riboflavin" + ] + }, + { + "compound_id": "C01008", + "inchi": "InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1", + "name": "Trimethylsulfonium", + "names": [ + "Trimethylsulfonium" + ] + }, + { + "compound_id": "C01009", + "inchi": "InChI=1S/C15H24N2O16P2/c18-4-7-11(21)6(19)3-10(30-7)32-35(27,28)33-34(25,26)29-5-8-12(22)13(23)14(31-8)17-2-1-9(20)16-15(17)24/h1-2,6-8,10-14,18-19,21-23H,3-5H2,(H,25,26)(H,27,28)(H,16,20,24)/t6-,7-,8-,10-,11+,12-,13-,14-/m1/s1", + "name": "UDP-2-deoxyglucose", + "names": [ + "UDP-2-deoxyglucose" + ] + }, + { + "compound_id": "C01010", + "inchi": "InChI=1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)", + "name": "Urea-1-carboxylate", + "names": [ + "Allophanate", + "Allophanic acid", + "Urea-1-carboxylate" + ] + }, + { + "compound_id": "C01011", + "inchi": "InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19?,23-,26+/m1/s1", + "name": "(3S)-Citramalyl-CoA", + "names": [ + "(3S)-Citramalyl-CoA", + "L-Citramalyl-CoA" + ] + }, + { + "compound_id": "C01012", + "inchi": "InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1", + "name": "(R)-Pantolactone", + "names": [ + "(3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-Furanone", + "(R)-Pantolactone", + "(R)-Pantoyl lactone" + ] + }, + { + "compound_id": "C01013", + "inchi": "InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)", + "name": "3-Hydroxypropanoate", + "names": [ + "3-Hydroxypropanoate", + "3-Hydroxypropanoic acid", + "3-Hydroxypropionate", + "3-Hydroxypropionic acid", + "Hydracrylic acid" + ] + }, + { + "compound_id": "C01014", + "inchi": "InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3", + "name": "3-Isopropylcatechol", + "names": [ + "3-Isopropylcatechol" + ] + }, + { + "compound_id": "C01015", + "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1", + "name": "cis-4-Hydroxy-L-proline", + "names": [ + "L-Hydroxyproline", + "cis-4-Hydroxy-L-proline" + ] + }, + { + "compound_id": "C01016", + "inchi": null, + "name": "5'-Phosphomonoester", + "names": [ + "5'-Phosphomonoester" + ] + }, + { + "compound_id": "C01017", + "inchi": "InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)", + "name": "5-Hydroxytryptophan", + "names": [ + "5-HTP", + "5-Hydroxytryptophan" + ] + }, + { + "compound_id": "C01018", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m1/s1", + "name": "6-Deoxy-D-galactose", + "names": [ + "6-Deoxy-D-galactose", + "D-Fucose" + ] + }, + { + "compound_id": "C01019", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1", + "name": "6-Deoxy-L-galactose", + "names": [ + "6-Deoxy-L-galactose", + "L-Fucose" + ] + }, + { + "compound_id": "C01020", + "inchi": "InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)", + "name": "6-Hydroxynicotinate", + "names": [ + "6-Hydroxynicotinate", + "6-Hydroxynicotinic acid" + ] + }, + { + "compound_id": "C01021", + "inchi": null, + "name": "Aromatic amino acid", + "names": [ + "Aromatic L-amino acid", + "Aromatic amino acid" + ] + }, + { + "compound_id": "C01022", + "inchi": null, + "name": "Caldesmon phosphate", + "names": [ + "Caldesmon phosphate" + ] + }, + { + "compound_id": "C01023", + "inchi": "InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16-,17-,18?,21+/m0/s1", + "name": "Dihydrostreptomycin", + "names": [ + "Dihydrostreptomycin" + ] + }, + { + "compound_id": "C01024", + "inchi": "InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)", + "name": "Hydroxymethylbilane", + "names": [ + "Hydroxymethylbilane" + ] + }, + { + "compound_id": "C01025", + "inchi": null, + "name": "Lipid hydroperoxide", + "names": [ + "Lipid hydroperoxide" + ] + }, + { + "compound_id": "C01026", + "inchi": "InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)", + "name": "N,N-Dimethylglycine", + "names": [ + "Dimethylglycine", + "N,N-Dimethylglycine" + ] + }, + { + "compound_id": "C01028", + "inchi": "InChI=1S/C6H14N2O3/c7-5(6(9)10)3-1-2-4-8-11/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1", + "name": "N6-Hydroxy-L-lysine", + "names": [ + "N6-Hydroxy-L-lysine" + ] + }, + { + "compound_id": "C01029", + "inchi": "InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)", + "name": "N8-Acetylspermidine", + "names": [ + "N8-Acetylspermidine" + ] + }, + { + "compound_id": "C01031", + "inchi": "InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1", + "name": "S-Formylglutathione", + "names": [ + "S-Formylglutathione" + ] + }, + { + "compound_id": "C01032", + "inchi": null, + "name": "alpha-L-Arabinoside", + "names": [ + "alpha-L-Arabinoside" + ] + }, + { + "compound_id": "C01033", + "inchi": "InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20?,24-/m1/s1", + "name": "2-Methylbutanoyl-CoA", + "names": [ + "2-Methylbutanoyl-CoA", + "2-Methylbutyryl-CoA" + ] + }, + { + "compound_id": "C01034", + "inchi": "InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,15-17H,3-4,6-12H2,1-2H3", + "name": "3-Oxo-delta5-steroid", + "names": [ + "3-Oxo-delta5-steroid" + ] + }, + { + "compound_id": "C01035", + "inchi": "InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)", + "name": "4-Guanidinobutanoate", + "names": [ + "4-Guanidinobutanoate", + "4-Guanidinobutyric acid" + ] + }, + { + "compound_id": "C01036", + "inchi": "InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1-", + "name": "4-Maleylacetoacetate", + "names": [ + "4-Maleylacetoacetate", + "4-Maleylacetoacetic acid" + ] + }, + { + "compound_id": "C01037", + "inchi": "InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)", + "name": "7,8-Diaminononanoate", + "names": [ + "7,8-Diaminononanoate" + ] + }, + { + "compound_id": "C01040", + "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1", + "name": "L-Gulono-1,4-lactone", + "names": [ + "L-Gulonic acid gamma-lactone", + "L-Gulono-1,4-lactone", + "L-Gulono-gamma-lactone", + "L-Gulonolactone", + "gamma-Gulonolactone" + ] + }, + { + "compound_id": "C01041", + "inchi": "InChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5+/m0/s1", + "name": "Monodehydro-L-ascorbate", + "names": [ + "Monodehydro-L-ascorbate" + ] + }, + { + "compound_id": "C01042", + "inchi": "InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1", + "name": "N-Acetyl-L-aspartate", + "names": [ + "N-Acetyl-L-aspartate", + "N-Acetyl-L-aspartic acid" + ] + }, + { + "compound_id": "C01043", + "inchi": "InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8)", + "name": "N-Carbamoylsarcosine", + "names": [ + "N-Carbamoylsarcosine" + ] + }, + { + "compound_id": "C01044", + "inchi": "InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1", + "name": "N-Formyl-L-aspartate", + "names": [ + "N-Formyl-L-aspartate" + ] + }, + { + "compound_id": "C01045", + "inchi": "InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1", + "name": "N-Formyl-L-glutamate", + "names": [ + "N-Formyl-L-glutamate" + ] + }, + { + "compound_id": "C01046", + "inchi": "InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1", + "name": "N-Methyl-L-glutamate", + "names": [ + "N-Methyl-L-glutamate", + "N-Methyl-L-glutamic acid" + ] + }, + { + "compound_id": "C01047", + "inchi": "InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1", + "name": "N5-Ethyl-L-glutamine", + "names": [ + "L-Theanine", + "N5-Ethyl-L-glutamine" + ] + }, + { + "compound_id": "C01048", + "inchi": "InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+", + "name": "Polyprenyl phosphate", + "names": [ + "Polyprenyl phosphate" + ] + }, + { + "compound_id": "C01050", + "inchi": "InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1", + "name": "UDP-N-acetylmuramate", + "names": [ + "UDP-MurNAc", + "UDP-N-acetylmuramate", + "UDP-N-acetylmuramic acid" + ] + }, + { + "compound_id": "C01051", + "inchi": "InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)", + "name": "Uroporphyrinogen III", + "names": [ + "Uroporphyrinogen III" + ] + }, + { + "compound_id": "C01053", + "inchi": "InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h3-4,8H,1-2H3,(H,9,10)", + "name": "(R)-4-Dehydropantoate", + "names": [ + "(R)-4-Dehydropantoate" + ] + }, + { + "compound_id": "C01054", + "inchi": "InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1", + "name": "(S)-2,3-Epoxysqualene", + "names": [ + "(3S)-2,3-Epoxy-2,3-dihydrosqualene", + "(S)-2,3-Epoxysqualene", + "(S)-Squalene-2,3-epoxide", + "2,3-Oxidosqualene", + "Squalene 2,3-epoxide", + "Squalene 2,3-oxide" + ] + }, + { + "compound_id": "C01056", + "inchi": "InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1", + "name": "(S)-6-Hydroxynicotine", + "names": [ + "(S)-6-Hydroxynicotine" + ] + }, + { + "compound_id": "C01058", + "inchi": null, + "name": "11beta-Hydroxysteroid", + "names": [ + "11beta-Hydroxysteroid" + ] + }, + { + "compound_id": "C01059", + "inchi": "InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)", + "name": "2,5-Dihydroxypyridine", + "names": [ + "2,5-Dihydroxypyridine" + ] + }, + { + "compound_id": "C01060", + "inchi": "InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1", + "name": "3,5-Diiodo-L-tyrosine", + "names": [ + "3,5-Diiodo-L-tyrosine", + "3,5-Diiodotyrosine", + "L-Diiodotyrosine" + ] + }, + { + "compound_id": "C01061", + "inchi": "InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+", + "name": "4-Fumarylacetoacetate", + "names": [ + "4-Fumarylacetoacetate", + "4-Fumarylacetoacetic acid", + "Fumarylacetoacetate" + ] + }, + { + "compound_id": "C01062", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)", + "name": "5-Dehydro-D-gluconate", + "names": [ + "5-Dehydro-D-gluconate", + "5-Dehydrogluconate" + ] + }, + { + "compound_id": "C01063", + "inchi": "InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23?,27-/m1/s1", + "name": "6-Carboxyhexanoyl-CoA", + "names": [ + "6-Carboxyhexanoyl-CoA", + "Pimeloyl-CoA" + ] + }, + { + "compound_id": "C01064", + "inchi": null, + "name": "CMP-N-acylneuraminate", + "names": [ + "CMP-N-acylneuraminate" + ] + }, + { + "compound_id": "C01066", + "inchi": "InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2", + "name": "Cyclohexane-1,3-dione", + "names": [ + "1,3-Cyclohexanedione", + "Cyclohexane-1,3-dione", + "Dihydroresorcinol" + ] + }, + { + "compound_id": "C01067", + "inchi": "InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6+/m1/s1", + "name": "D-Galactose 6-sulfate", + "names": [ + "D-Galactose 6-sulfate" + ] + }, + { + "compound_id": "C01068", + "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1", + "name": "D-Ribitol 5-phosphate", + "names": [ + "D-Ribitol 5-phosphate", + "L-Ribitol 1-phosphate", + "Ribitol 5-phosphate" + ] + }, + { + "compound_id": "C01069", + "inchi": "InChI=1S/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/b15-10-/t9-,11-,12+,13-,14+/m1/s1", + "name": "Desulfoglucotropeolin", + "names": [ + "Desulfoglucotropeolin" + ] + }, + { + "compound_id": "C01070", + "inchi": null, + "name": "Ferricytochrome c-553", + "names": [ + "Ferricytochrome c-553" + ] + }, + { + "compound_id": "C01071", + "inchi": null, + "name": "Ferrocytochrome c-553", + "names": [ + "Ferrocytochrome c-553" + ] + }, + { + "compound_id": "C01073", + "inchi": "InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)", + "name": "N-Acetyl-beta-alanine", + "names": [ + "N-Acetyl-beta-alanine" + ] + }, + { + "compound_id": "C01074", + "inchi": null, + "name": "N-Acetylgalactosamine", + "names": [ + "2-Acetamido-2-deoxygalactose", + "GalNAc", + "N-Acetylchondrosamine", + "N-Acetylgalactosamine" + ] + }, + { + "compound_id": "C01075", + "inchi": "InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6?/m1/s1", + "name": "N-Sulfo-D-glucosamine", + "names": [ + "N-Sulfo-D-glucosamine" + ] + }, + { + "compound_id": "C01076", + "inchi": null, + "name": "N-Terminal amino acid", + "names": [ + "N-Terminal amino acid" + ] + }, + { + "compound_id": "C01077", + "inchi": "InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1", + "name": "O-Acetyl-L-homoserine", + "names": [ + "O-Acetyl-L-homoserine", + "O-Acetylhomoserine" + ] + }, + { + "compound_id": "C01078", + "inchi": null, + "name": "Procollagen L-proline", + "names": [ + "Procollagen L-proline" + ] + }, + { + "compound_id": "C01079", + "inchi": "InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)", + "name": "Protoporphyrinogen IX", + "names": [ + "Protoporphyrinogen IX" + ] + }, + { + "compound_id": "C01080", + "inchi": "InChI=1S/C29H38N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,9,12,16-17,19-20,23,35-37,41H,4-8,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H2,32,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1", + "name": "Reduced coenzyme F420", + "names": [ + "Reduced coenzyme F420" + ] + }, + { + "compound_id": "C01081", + "inchi": "InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1", + "name": "Thiamin monophosphate", + "names": [ + "TMP", + "Thiamin monophosphate", + "Thiamin phosphate", + "Thiamine monophosphate", + "Thiamine phosphate" + ] + }, + { + "compound_id": "C01083", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1", + "name": "alpha,alpha-Trehalose", + "names": [ + ",-Trehalose", + ",-trehalose", + "Trehalose", + "alpha,alpha'-Trehalose", + "alpha,alpha-Trehalose" + ] + }, + { + "compound_id": "C01086", + "inchi": null, + "name": "(3R)-3-Hydroxyacyl-CoA", + "names": [ + "(3R)-3-Hydroxyacyl-CoA", + "(R)-3-Hydroxyacyl-CoA" + ] + }, + { + "compound_id": "C01087", + "inchi": "InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1", + "name": "(R)-2-Hydroxyglutarate", + "names": [ + "(R)-2-Hydroxyglutarate", + "(R)-Hydroxyglutarate" + ] + }, + { + "compound_id": "C01088", + "inchi": "InChI=1S/C6H10O5/c1-6(2,5(10)11)3(7)4(8)9/h3,7H,1-2H3,(H,8,9)(H,10,11)/t3-/m0/s1", + "name": "(R)-3,3-Dimethylmalate", + "names": [ + "(R)-3,3-Dimethylmalate" + ] + }, + { + "compound_id": "C01089", + "inchi": "InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1", + "name": "(R)-3-Hydroxybutanoate", + "names": [ + "(R)-3-Hydroxybutanoate", + "(R)-3-Hydroxybutanoic acid", + "(R)-3-Hydroxybutyric acid" + ] + }, + { + "compound_id": "C01090", + "inchi": "InChI=1S/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15?,16?,17?,18?,19?/m1/s1", + "name": "16alpha-Hydroxysteroid", + "names": [ + "16alpha-Hydroxysteroid" + ] + }, + { + "compound_id": "C01091", + "inchi": "InChI=1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/t17-,18+,19+,21+,22+,23-/m0/s1", + "name": "Deacetylvindoline", + "names": [ + "17-O-Deacetylvindoline", + "Deacetylvindoline", + "Desacetylvindoline" + ] + }, + { + "compound_id": "C01092", + "inchi": "InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)", + "name": "8-Amino-7-oxononanoate", + "names": [ + "8-Amino-7-oxononanoate", + "8-Amino-7-oxononanoic acid" + ] + }, + { + "compound_id": "C01093", + "inchi": "InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-10,12-19H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,12?/m1/s1", + "name": "Cellobiono-1,5-lactone", + "names": [ + "Cellobiono-1,5-lactone", + "Cellobionolactone", + "Cellobiose-1,5-lactone" + ] + }, + { + "compound_id": "C01094", + "inchi": "InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", + "name": "D-Fructose 1-phosphate", + "names": [ + "D-Fructose 1-phosphate" + ] + }, + { + "compound_id": "C01095", + "inchi": "InChI=1S/C5H12O11P2/c6-3-2(15-5(8)4(3)7)1-14-18(12,13)16-17(9,10)11/h2-8H,1H2,(H,12,13)(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", + "name": "D-Ribose 5-diphosphate", + "names": [ + "D-Ribose 5-diphosphate" + ] + }, + { + "compound_id": "C01096", + "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1", + "name": "Sorbitol 6-phosphate", + "names": [ + "D-Glucitol 6-phosphate", + "D-Sorbitol 6-phosphate", + "Sorbitol 6-phosphate" + ] + }, + { + "compound_id": "C01097", + "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m1/s1", + "name": "D-Tagatose 6-phosphate", + "names": [ + "D-Tagatose 6-phosphate" + ] + }, + { + "compound_id": "C01099", + "inchi": "InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5+,6-/m0/s1", + "name": "L-Fuculose 1-phosphate", + "names": [ + "L-Fuculose 1-phosphate" + ] + }, + { + "compound_id": "C01100", + "inchi": "InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1", + "name": "L-Histidinol phosphate", + "names": [ + "L-Histidinol phosphate" + ] + }, + { + "compound_id": "C01101", + "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m0/s1", + "name": "L-Ribulose 5-phosphate", + "names": [ + "L-Ribulose 5-phosphate" + ] + }, + { + "compound_id": "C01102", + "inchi": "InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1", + "name": "O-Phospho-L-homoserine", + "names": [ + "O-Phospho-L-homoserine" + ] + }, + { + "compound_id": "C01103", + "inchi": "InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1", + "name": "Orotidine 5'-phosphate", + "names": [ + "Orotidine 5 '-phosphate", + "Orotidine 5'-phosphate", + "Orotidylic acid", + "orotidine 5 '-phosphate" + ] + }, + { + "compound_id": "C01104", + "inchi": "InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3", + "name": "Trimethylamine N-oxide", + "names": [ + "(CH3)3NO", + "Trimethylamine N-oxide" + ] + }, + { + "compound_id": "C01107", + "inchi": "InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1", + "name": "(R)-5-Phosphomevalonate", + "names": [ + "(R)-5-Phosphomevalonate", + "(R)-5-Phosphomevaloonic acid", + "(R)-Mevalonic acid 5-phosphate" + ] + }, + { + "compound_id": "C01108", + "inchi": "InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H", + "name": "1,2,3-Trihydroxybenzene", + "names": [ + "1,2,3-Benzenetriol", + "1,2,3-Trihydroxybenzene", + "Pyrogallic acid", + "Pyrogallol" + ] + }, + { + "compound_id": "C01109", + "inchi": "InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1", + "name": "4-Methylene-L-glutamine", + "names": [ + "4-Methylene-L-glutamine" + ] + }, + { + "compound_id": "C01110", + "inchi": "InChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)", + "name": "5-Amino-2-oxopentanoic acid", + "names": [ + "2-Oxo-5-amino-pentanoate", + "2-Oxo-5-aminopentanoate", + "2-Oxo-5-aminovalerate", + "5-Amino-2-oxopentanoate", + "5-Amino-2-oxopentanoic acid", + "alpha-Keto-delta-aminopentanoate" + ] + }, + { + "compound_id": "C01111", + "inchi": "InChI=1S/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)", + "name": "7,8-Dihydroxykynurenate", + "names": [ + "7,8-Dihydroxykynurenate" + ] + }, + { + "compound_id": "C01112", + "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1", + "name": "D-Arabinose 5-phosphate", + "names": [ + "D-Arabinose 5-phosphate" + ] + }, + { + "compound_id": "C01113", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6?/m1/s1", + "name": "D-Galactose 6-phosphate", + "names": [ + "6-Phospho-D-galactose", + "D-Galactose 6-phosphate" + ] + }, + { + "compound_id": "C01114", + "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m0/s1", + "name": "L-Arabinono-1,4-lactone", + "names": [ + "L-Arabinono-1,4-lactone", + "L-Arabonolactone" + ] + }, + { + "compound_id": "C01115", + "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1", + "name": "L-Galactono-1,4-lactone", + "names": [ + "L-Galactono-1,4-lactone" + ] + }, + { + "compound_id": "C01117", + "inchi": null, + "name": "Nucleoside 5'-phosphate", + "names": [ + "Nucleoside 5'-phosphate" + ] + }, + { + "compound_id": "C01118", + "inchi": "InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1", + "name": "O-Succinyl-L-homoserine", + "names": [ + "O-Succinyl-L-homoserine", + "O-Succinylhomoserine", + "O4-Succinyl-L-homoserine" + ] + }, + { + "compound_id": "C01119", + "inchi": "InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1", + "name": "Oxidized dithiothreitol", + "names": [ + "Oxidized dithiothreitol" + ] + }, + { + "compound_id": "C01120", + "inchi": "InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1", + "name": "Sphinganine 1-phosphate", + "names": [ + "Dihydrosphingosine 1-phosphate", + "Sphinganine 1-phosphate" + ] + }, + { + "compound_id": "C01121", + "inchi": "InChI=1S/C8H19N6O7P/c9-7(10)13-1-3(15)2(14-8(11)12)6(5(17)4(1)16)21-22(18,19)20/h1-6,15-17H,(H4,9,10,13)(H4,11,12,14)(H2,18,19,20)/t1-,2+,3-,4+,5-,6-/m0/s1", + "name": "Streptidine 6-phosphate", + "names": [ + "Streptidine 6-phosphate" + ] + }, + { + "compound_id": "C01122", + "inchi": null, + "name": "cis-2,3-Dehydroacyl-CoA", + "names": [ + "cis-2,3-Dehydroacyl-CoA" + ] + }, + { + "compound_id": "C01123", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9-11H,1,4-5H2,2-3H3/t9-,10+/m1/s1", + "name": "(-)-trans-Isopiperitenol", + "names": [ + "(-)-trans-Isopiperitenol" + ] + }, + { + "compound_id": "C01124", + "inchi": "InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1", + "name": "18-Hydroxycorticosterone", + "names": [ + "18-Hydroxycorticosterone" + ] + }, + { + "compound_id": "C01125", + "inchi": "InChI=1S/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3", + "name": "Dihydro-4,4-dimethyl-2,3-Furandione", + "names": [ + "2-Dehydropantolactone", + "2-Dehydropantoyl lactone", + "Dihydro-4,4-dimethyl-2,3-Furandione" + ] + }, + { + "compound_id": "C01126", + "inchi": "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+", + "name": "2-trans,6-trans-Farnesol", + "names": [ + "(2E,6E)-Farnesol", + "2-trans,6-trans-Farnesol", + "trans-Farnesol" + ] + }, + { + "compound_id": "C01127", + "inchi": "InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)", + "name": "4-Hydroxy-2-oxoglutarate", + "names": [ + "4-Hydroxy-2-oxoglutarate", + "4-Hydroxy-2-oxoglutaric acid" + ] + }, + { + "compound_id": "C01131", + "inchi": "InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/t3-,5-,6-/m0/s1", + "name": "L-Rhamnulose 1-phosphate", + "names": [ + "L-Rhamnulose 1-phosphate" + ] + }, + { + "compound_id": "C01132", + "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1", + "name": "N-Acetyl-D-galactosamine", + "names": [ + "2-Acetamido-2-deoxy-D-galactose", + "N-Acetyl-D-chondrosamine", + "N-Acetyl-D-galactosamine" + ] + }, + { + "compound_id": "C01133", + "inchi": "InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5-,6-,7-/m1/s1", + "name": "N-Acetyl-D-glucosaminate", + "names": [ + "N-Acetyl-D-glucosaminate" + ] + }, + { + "compound_id": "C01134", + "inchi": "InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1", + "name": "Pantetheine 4'-phosphate", + "names": [ + "4'-Phosphopantetheine", + "D-Pantetheine 4'-phosphate", + "Pantetheine 4'-phosphate", + "Phosphopantetheine" + ] + }, + { + "compound_id": "C01135", + "inchi": null, + "name": "Phospho-beta-D-glucoside", + "names": [ + "Phospho-beta-D-glucoside" + ] + }, + { + "compound_id": "C01136", + "inchi": "InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)", + "name": "S-Acetyldihydrolipoamide", + "names": [ + "6-S-Acetyldihydrolipoamide", + "S-Acetyldihydrolipoamide" + ] + }, + { + "compound_id": "C01137", + "inchi": "InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14-,24+/m1/s1", + "name": "S-Adenosylmethioninamine", + "names": [ + "(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium", + "(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation", + "S-Adenosyl-(5')-3-methylthiopropylamine", + "S-Adenosylmethioninamine" + ] + }, + { + "compound_id": "C01138", + "inchi": "InChI=1S/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15-,16?,17?,18?,21+/m0/s1", + "name": "Streptomycin 6-phosphate", + "names": [ + "Streptomycin 6-phosphate" + ] + }, + { + "compound_id": "C01139", + "inchi": null, + "name": "[Acetyl-CoA carboxylase]", + "names": [ + "[Acetyl-CoA carboxylase]" + ] + }, + { + "compound_id": "C01140", + "inchi": null, + "name": "alpha-D-Glucosyl-protein", + "names": [ + "alpha-D-Glucosyl-protein" + ] + }, + { + "compound_id": "C01141", + "inchi": null, + "name": "beta-Adrenergic receptor", + "names": [ + "[beta-Adrenergic receptor]", + "beta-Adrenergic receptor" + ] + }, + { + "compound_id": "C01142", + "inchi": "InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1", + "name": "(3S)-3,6-Diaminohexanoate", + "names": [ + "(3S)-3,6-Diaminohexanoate", + "L-beta-Lysine" + ] + }, + { + "compound_id": "C01143", + "inchi": "InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1", + "name": "(R)-5-Diphosphomevalonate", + "names": [ + "(R)-5-Diphosphomevalonate" + ] + }, + { + "compound_id": "C01144", + "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20?,24+/m0/s1", + "name": "(S)-3-Hydroxybutanoyl-CoA", + "names": [ + "(3s)-3-hydroxybutanoyl-coa", + "(3s)-hydroxybutanoyl-coenzyme a", + "(S)-3-Hydroxybutanoyl-CoA", + "(S)-3-Hydroxybutyryl-CoA", + "dl-3-hydroxybutanoyl-coa" + ] + }, + { + "compound_id": "C01146", + "inchi": "InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)", + "name": "2-Hydroxy-3-oxopropanoate", + "names": [ + "2-Hydroxy-3-oxopropanoate", + "Tartronate semialdehyde" + ] + }, + { + "compound_id": "C01147", + "inchi": "InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2", + "name": "2-Hydroxycyclohexan-1-one", + "names": [ + "2-Hydroxycyclohexan-1-one", + "2-Hydroxycyclohexanone", + "Adipoin" + ] + }, + { + "compound_id": "C01149", + "inchi": "InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1", + "name": "4-Trimethylammoniobutanal", + "names": [ + "4-Trimethylammoniobutanal" + ] + }, + { + "compound_id": "C01151", + "inchi": "InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1", + "name": "D-Ribose 1,5-bisphosphate", + "names": [ + "D-Ribose 1,5-bisphosphate", + "Ribose 1,5-bisphosphate" + ] + }, + { + "compound_id": "C01152", + "inchi": "InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1", + "name": "N(pi)-Methyl-L-histidine", + "names": [ + "1-Methylhistidine", + "3-Methylhistidine", + "N(pi)-Methyl-L-histidine", + "N-pros-Methyl-L-histidine" + ] + }, + { + "compound_id": "C01153", + "inchi": null, + "name": "Orthophosphoric monoester", + "names": [ + "Orthophosphoric monoester", + "Phosphate monoester" + ] + }, + { + "compound_id": "C01155", + "inchi": "InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-8(17)10(3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)", + "name": "Quercetin 3,3'-bissulfate", + "names": [ + "Quercetin 3,3'-bissulfate" + ] + }, + { + "compound_id": "C01156", + "inchi": "InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-10(8(17)3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)", + "name": "Quercetin 3,4'-bissulfate", + "names": [ + "Quercetin 3,4'-bissulfate" + ] + }, + { + "compound_id": "C01157", + "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1", + "name": "Hydroxyproline", + "names": [ + "Hydroxyproline", + "L-Hydroxyproline", + "trans-4-Hydroxy-L-proline" + ] + }, + { + "compound_id": "C01158", + "inchi": "InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1", + "name": "1-O-Galloyl-beta-D-glucose", + "names": [ + "1-Galloyl-beta-D-glucose", + "1-Galloyl-beta-glucose", + "1-O-Galloyl-beta-D-glucose", + "beta-Glucogallin" + ] + }, + { + "compound_id": "C01159", + "inchi": "InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1", + "name": "2,3-Bisphospho-D-glycerate", + "names": [ + "2,3-Bisphospho-D-glycerate", + "2,3-Disphospho-D-glycerate", + "D-Greenwald ester", + "DPG" + ] + }, + { + "compound_id": "C01161", + "inchi": "InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)", + "name": "3,4-Dihydroxyphenylacetate", + "names": [ + "3,4-Dihydroxyphenylacetate", + "3,4-Dihydroxyphenylacetic acid", + "Homoprotocatechuate" + ] + }, + { + "compound_id": "C01162", + "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)/t5-/m0/s1", + "name": "3-(Pyrazol-1-yl)-L-alanine", + "names": [ + "3-(Pyrazol-1-yl)-L-alanine", + "beta-Pyrazol-1-ylalanine" + ] + }, + { + "compound_id": "C01163", + "inchi": "InChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b2-1-,4-3+", + "name": "3-Carboxy-cis,cis-muconate", + "names": [ + "3-Carboxy-cis,cis-muconate", + "beta-Carboxy-cis,cis-muconate", + "cis,cis-Butadiene-1,2,4-tricarboxylate" + ] + }, + { + "compound_id": "C01164", + "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1", + "name": "7-Dehydrocholesterol", + "names": [ + "7-Dehydrocholesterol", + "Cholesta-5,7-dien-3beta-ol", + "Provitamin D3" + ] + }, + { + "compound_id": "C01165", + "inchi": "InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1", + "name": "L-Glutamate 5-semialdehyde", + "names": [ + "L-Glutamate 5-semialdehyde", + "L-Glutamate gamma-semialdehyde" + ] + }, + { + "compound_id": "C01166", + "inchi": null, + "name": "Oxidized polyvinyl alcohol", + "names": [ + "Oxidized polyvinyl alcohol" + ] + }, + { + "compound_id": "C01167", + "inchi": null, + "name": "Protein tyrosine phosphate", + "names": [ + "Protein tyrosine phosphate", + "[Protein]-L-tyrosine phosphate" + ] + }, + { + "compound_id": "C01168", + "inchi": "InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1", + "name": "Pseudouridine 5'-phosphate", + "names": [ + "Pseudouridine 5'-phosphate" + ] + }, + { + "compound_id": "C01169", + "inchi": "InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(18)7-8-19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)", + "name": "S-Succinyldihydrolipoamide", + "names": [ + "S-Succinyldihydrolipoamide" + ] + }, + { + "compound_id": "C01170", + "inchi": "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1", + "name": "UDP-N-acetyl-D-mannosamine", + "names": [ + "UDP-N-acetyl-D-mannosamine" + ] + }, + { + "compound_id": "C01171", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2?,3?,4?,5?,6-/m1/s1", + "name": "alpha-D-Hexose 1-phosphate", + "names": [ + "alpha-D-Hexose 1-phosphate" + ] + }, + { + "compound_id": "C01172", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1", + "name": "beta-D-Glucose 6-phosphate", + "names": [ + "beta-D-Glucose 6-phosphate" + ] + }, + { + "compound_id": "C01173", + "inchi": "InChI=1S/C10H8O3/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-5,11-13H", + "name": "1,3,8-Naphthalenertriol", + "names": [ + "1,3,8-Naphthalenertriol", + "1,3,8-Trihydroxynaphthalene" + ] + }, + { + "compound_id": "C01175", + "inchi": "InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1", + "name": "1-O-Sinapoyl-beta-D-glucose", + "names": [ + "1-O-Sinapoyl beta-D-glucoside", + "1-O-Sinapoyl-beta-D-glucose", + "1-sinapoyl-d-glucose" + ] + }, + { + "compound_id": "C01176", + "inchi": "InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1", + "name": "17alpha-Hydroxyprogesterone", + "names": [ + "17alpha-Hydroxy-4-pregnene-3,20-dione", + "17alpha-Hydroxy-progesterone", + "17alpha-Hydroxyprogesterone", + "Pregn-4-ene-3,20-dione-17-ol" + ] + }, + { + "compound_id": "C01177", + "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1", + "name": "Inositol 1-phosphate", + "names": [ + "1D-myo-Inositol 1-monophosphate", + "1D-myo-Inositol 1-phosphate", + "D-myo-Inositol 1-phosphate", + "Inositol 1-phosphate", + "myo-Inositol 1-phosphate" + ] + }, + { + "compound_id": "C01179", + "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)", + "name": "3-(4-Hydroxyphenyl)pyruvate", + "names": [ + "3-(4-Hydroxyphenyl)pyruvate", + "4-Hydroxyphenylpyruvate", + "p-Hydroxyphenylpyruvic acid" + ] + }, + { + "compound_id": "C01180", + "inchi": "InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)", + "name": "4-Methylthio-2-oxobutanoic acid", + "names": [ + "2-Keto-4-methylthiobutyric acid", + "2-Oxo-4-methylthiobutanoate", + "4-Methylthio-2-oxobutanoate", + "4-Methylthio-2-oxobutanoic acid" + ] + }, + { + "compound_id": "C01181", + "inchi": "InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1", + "name": "4-Trimethylammoniobutanoate", + "names": [ + "4-Trimethylammoniobutanoate" + ] + }, + { + "compound_id": "C01182", + "inchi": "InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1", + "name": "D-Ribulose 1,5-bisphosphate", + "names": [ + "D-Ribulose 1,5-bisphosphate", + "D-ribulose 1,5-biphosphate", + "d-ribulose 1,5-biphosphate" + ] + }, + { + "compound_id": "C01183", + "inchi": "InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3", + "name": "N,N-Dimethylaniline N-oxide", + "names": [ + "N,N-Dimethylaniline N-oxide" + ] + }, + { + "compound_id": "C01185", + "inchi": "InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1", + "name": "Nicotinate D-ribonucleotide", + "names": [ + "Nicotinate D-ribonucleotide", + "Nicotinate ribonucleotide", + "Nicotinic acid ribonucleotide", + "beta-Nicotinate D-ribonucleotide" + ] + }, + { + "compound_id": "C01186", + "inchi": "InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m0/s1", + "name": "(3S,5S)-3,5-Diaminohexanoate", + "names": [ + "(3S,5S)-3,5-Diaminocaproate", + "(3S,5S)-3,5-Diaminohexanoate", + "L-erythro-3,5-Diaminocaproate", + "L-erythro-3,5-Diaminohexanoate" + ] + }, + { + "compound_id": "C01187", + "inchi": "InChI=1S/C8H14O8/c9-2-5(12)7(14)6(13)3(10)1-4(11)8(15)16/h3,5-7,9-10,12-14H,1-2H2,(H,15,16)", + "name": "3-Deoxy-D-manno-octulosonate", + "names": [ + "2-Dehydro-3-deoxy-D-octonate", + "3-Deoxy-D-manno-2-octulosonate", + "3-Deoxy-D-manno-octulosonate", + "3-Deoxyoctulosonic acid", + "KDO" + ] + }, + { + "compound_id": "C01188", + "inchi": "InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)", + "name": "3-Hydroxy-2-methylpropanoate", + "names": [ + "3-Hydroxy-2-methylpropanoate", + "3-Hydroxyisobutyrate", + "3-Hydroxyisobutyric acid" + ] + }, + { + "compound_id": "C01189", + "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1", + "name": "Lathosterol", + "names": [ + "5alpha-Cholest-7-en-3beta-ol", + "Lathosterol" + ] + }, + { + "compound_id": "C01190", + "inchi": null, + "name": "Glucosylceramide", + "names": [ + "D-Glucosyl-N-acylsphingosine", + "Glucocerebroside", + "Glucosylceramide" + ] + }, + { + "compound_id": "C01191", + "inchi": "InChI=1S/C30H53O8P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-37-39(34,35)38-30-29(33)28(32)27(31)21-36-30/h11,13,15,17,26-33H,7-10,12,14,16,18-21H2,1-6H3,(H,34,35)/b23-13+,24-15+,25-17-/t26?,27-,28+,29-,30+/m1/s1", + "name": "Dolichyl D-xylosyl phosphate", + "names": [ + "Dolichyl D-xylosyl phosphate" + ] + }, + { + "compound_id": "C01192", + "inchi": "InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h2-17H2,1H3,(H2,22,23,24)", + "name": "Palmitoylglycerone phosphate", + "names": [ + "Palmitoylglycerone phosphate" + ] + }, + { + "compound_id": "C01194", + "inchi": null, + "name": "1-Phosphatidyl-D-myo-inositol", + "names": [ + "(3-Phosphatidyl)-1-D-inositol", + "1,2-Diacyl-sn-glycero-3-phosphoinositol", + "1-Phosphatidyl-1D-myo-inositol", + "1-Phosphatidyl-D-myo-inositol", + "1-Phosphatidyl-myo-inositol", + "Phosphatidyl-1D-myo-inositol", + "Phosphatidylinositol" + ] + }, + { + "compound_id": "C01196", + "inchi": null, + "name": "3'-Hydroxyoligoribonucleotide", + "names": [ + "3'-Hydroxyoligoribonucleotide" + ] + }, + { + "compound_id": "C01197", + "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+", + "name": "Caffeate", + "names": [ + "3,4-Dihydroxy-trans-cinnamate", + "Caffeate", + "Caffeic acid", + "trans-Caffeate" + ] + }, + { + "compound_id": "C01198", + "inchi": "InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)", + "name": "3-(2-Hydroxyphenyl)propanoate", + "names": [ + "2-Hydroxyphenylpropanoate", + "3-(2-Hydroxyphenyl)propanoate", + "3-(2-Hydroxyphenyl)propionate", + "3-(2-Hydroxyphenyl)propionic acid", + "Melilotate" + ] + }, + { + "compound_id": "C01199", + "inchi": null, + "name": "5'-Hydroxyoligoribonucleotide", + "names": [ + "5'-Hydroxyoligoribonucleotide" + ] + }, + { + "compound_id": "C01200", + "inchi": null, + "name": "N-Acylneuraminate 9-phosphate", + "names": [ + "N-Acylneuraminate 9-phosphate" + ] + }, + { + "compound_id": "C01201", + "inchi": "InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1", + "name": "N(omega)-(ADP-D-ribosyl)-L-arginine", + "names": [ + "N(omega)-(ADP-D-ribosyl)-L-arginine", + "Nomega-(ADP-D-ribosyl)-L-arginine" + ] + }, + { + "compound_id": "C01203", + "inchi": null, + "name": "Oleoyl-[acyl-carrier protein]", + "names": [ + "Octadecenoyl-[acp]", + "Octadecenoyl-[acyl-carrier protein]", + "Oleoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C01204", + "inchi": "InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-", + "name": "myo-Inositol hexakisphosphate", + "names": [ + "1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate", + "1D-myo-Inositol hexakisphosphate", + "D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate", + "Inositol 1,2,3,4,5,6-hexakisphosphate", + "Phytate", + "Phytic acid", + "myo-Inositol 1,2,3,4,5,6-hexakisphosphate", + "myo-Inositol hexakisphosphate" + ] + }, + { + "compound_id": "C01205", + "inchi": "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1", + "name": "(R)-3-Amino-2-methylpropanoate", + "names": [ + "(R)-3-Amino-2-methylpropanoate", + "D-3-Amino-isobutanoate" + ] + }, + { + "compound_id": "C01207", + "inchi": "InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)", + "name": "3-(3,4-Dihydroxyphenyl)lactate", + "names": [ + "3,4-Dihydroxyphenyllactic acid", + "3-(3,4-Dihydroxyphenyl)lactate" + ] + }, + { + "compound_id": "C01209", + "inchi": null, + "name": "Malonyl-[acyl-carrier protein]", + "names": [ + "Malonyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C01210", + "inchi": "InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)", + "name": "N-Methylethanolamine phosphate", + "names": [ + "N-Methylethanolamine phosphate" + ] + }, + { + "compound_id": "C01211", + "inchi": null, + "name": "Procollagen 5-hydroxy-L-lysine", + "names": [ + "Procollagen 5-hydroxy-L-lysine", + "Procollagen L-erythro-5-hydroxylysine" + ] + }, + { + "compound_id": "C01212", + "inchi": "InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanine", + "names": [ + "UDP-N-acetylmuramoyl-L-alanine" + ] + }, + { + "compound_id": "C01213", + "inchi": "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18?,22-/m1/s1", + "name": "(R)-Methylmalonyl-CoA", + "names": [ + "(R)-Methylmalonyl-CoA", + "L-Methylmalonyl-CoA" + ] + }, + { + "compound_id": "C01214", + "inchi": "InChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/t1-,2-,3+,4+,5-,6-", + "name": "1-Amino-1-deoxy-scyllo-inositol", + "names": [ + "1-Amino-1-deoxy-scyllo-inositol", + "scyllo-Inosamine" + ] + }, + { + "compound_id": "C01215", + "inchi": "InChI=1S/C7H9NO5/c1-4(9)8-3-5(7(12)13)2-6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b5-3-", + "name": "2-(Acetamidomethylene)succinate", + "names": [ + "2-(Acetamidomethylene)succinate" + ] + }, + { + "compound_id": "C01216", + "inchi": "InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1", + "name": "2-Dehydro-3-deoxy-D-galactonate", + "names": [ + "2-Dehydro-3-deoxy-D-galactonate" + ] + }, + { + "compound_id": "C01217", + "inchi": "InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1", + "name": "5,6,7,8-Tetrahydromethanopterin", + "names": [ + "5,6,7,8-Tetrahydromethanopterin", + "H4MPT", + "Tetrahydromethanopterin", + "h4pteglu4" + ] + }, + { + "compound_id": "C01218", + "inchi": "InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)", + "name": "6-Phospho-2-dehydro-D-gluconate", + "names": [ + "2-Dehydro-D-gluconate 6-phosphate", + "6-Phospho-2-dehydro-D-gluconate" + ] + }, + { + "compound_id": "C01219", + "inchi": "InChI=1S/C15H23N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H2,16,17,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1", + "name": "CDP-4-dehydro-6-deoxy-D-glucose", + "names": [ + "CDP-4-dehydro-6-deoxy-D-glucose" + ] + }, + { + "compound_id": "C01220", + "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1", + "name": "1D-myo-Inositol 1,4-bisphosphate", + "names": [ + "1D-myo-Inositol 1,4-bisphosphate", + "D-myo-Inositol 1,4-bisphosphate", + "Inositol 1,4-bisphosphate", + "myo-Inositol 1,4-bisphosphate" + ] + }, + { + "compound_id": "C01221", + "inchi": "InChI=1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15-,16?,17?,18?,21+/m0/s1", + "name": "Dihydrostreptomycin 6-phosphate", + "names": [ + "Dihydrostreptomycin 6-phosphate" + ] + }, + { + "compound_id": "C01222", + "inchi": "InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1", + "name": "GDP-4-dehydro-6-deoxy-D-mannose", + "names": [ + "GDP-4-dehydro-6-deoxy-D-mannose", + "GDP-4-dehydro-6-deoxy-D-talose", + "GDP-4-dehydro-D-rhamnose", + "GDP-4-keto-6-deoxy-D-mannose", + "GDP-4-oxo-6-deoxy-D-mannose" + ] + }, + { + "compound_id": "C01223", + "inchi": "InChI=1S/C9H15N3O3/c1-3-4-5-7(9(14)15-2)12-8(13)6-11-10/h7H,3-6H2,1-2H3/p+1/t7-/m0/s1", + "name": "Methyl 2-diazoacetamidohexonate", + "names": [ + "Methyl 2-diazoacetamidohexonate" + ] + }, + { + "compound_id": "C01224", + "inchi": null, + "name": "N-Acetyl-beta-D-galactosaminide", + "names": [ + "N-Acetyl-beta-D-galactosaminide" + ] + }, + { + "compound_id": "C01225", + "inchi": "InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1", + "name": "sn-glycero-3-Phospho-1-inositol", + "names": [ + "1-(sn-glycero-3-Phospho)-1D-myo-inositol", + "sn-glycero-3-Phospho-1-inositol" + ] + }, + { + "compound_id": "C01226", + "inchi": "InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1", + "name": "12-OPDA", + "names": [ + "(15Z)-12-Oxophyto-10,15-dienoate", + "(15Z)-12-Oxophyto-10,15-dienoic acid", + "12-OPDA", + "12-Oxo-10,15(Z)-phytodienoic acid", + "9(S),13(S)-12-Oxo-PDA" + ] + }, + { + "compound_id": "C01227", + "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1", + "name": "Dehydroepiandrosterone", + "names": [ + "3beta-Hydroxyandrost-5-en-17-one", + "DHA", + "DHEA", + "Dehydroepiandrosterone", + "Dehydroisoandrosterone" + ] + }, + { + "compound_id": "C01228", + "inchi": "InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", + "name": "Guanosine 3',5'-bis(diphosphate)", + "names": [ + "Guanosine 3',5'-bis(diphosphate)", + "Guanosine 3'-diphosphate 5'-diphosphate", + "Guanosine 5'-diphosphate,3'-diphosphate" + ] + }, + { + "compound_id": "C01229", + "inchi": null, + "name": "Phospholipid olefinic fatty acid", + "names": [ + "Phospholipid olefinic fatty acid" + ] + }, + { + "compound_id": "C01230", + "inchi": "InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+", + "name": "all-trans-Hexaprenyl diphosphate", + "names": [ + "all-trans-Hexaprenyl diphosphate" + ] + }, + { + "compound_id": "C01231", + "inchi": "InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1", + "name": "alpha-D-Glucose 1,6-bisphosphate", + "names": [ + "alpha-D-Glucose 1,6-biphosphate", + "alpha-D-Glucose 1,6-bisphosphate" + ] + }, + { + "compound_id": "C01233", + "inchi": "InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1", + "name": "sn-glycero-3-Phosphoethanolamine", + "names": [ + "Glycerophosphoethanolamine", + "sn-glycero-3-Phosphoethanolamine" + ] + }, + { + "compound_id": "C01234", + "inchi": "InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)", + "name": "1-Aminocyclopropane-1-carboxylate", + "names": [ + "1-Aminocyclopropane-1-carboxylate", + "1-Aminocyclopropane-1-carboxylic acid" + ] + }, + { + "compound_id": "C01235", + "inchi": "InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3+,4+,5-,6-,7+,8+,9+,10-,11?,12?/m1/s1", + "name": "alpha-D-Galactosyl-(1->3)-1D-myo-inositol", + "names": [ + "1--d-galactosyl-myo-inositol", + "1-alpha-D-Galactosyl-myo-inositol", + "3-O-alpha-D-Galactosyl-1D-myo-inositol", + "Galactinol", + "O-alpha-D-Galactosyl-(1->3)-1D-myo-inositol", + "alpha-D-Galactosyl-(1->3)-1D-myo-inositol" + ] + }, + { + "compound_id": "C01236", + "inchi": "InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3-,4+,5-/m1/s1", + "name": "D-Glucono-1,5-lactone 6-phosphate", + "names": [ + "6-Phospho-D-glucono-1,5-lactone", + "D-Glucono-1,5-lactone 6-phosphate" + ] + }, + { + "compound_id": "C01239", + "inchi": "InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1", + "name": "N-Acetyl-beta-D-glucosaminylamine", + "names": [ + "N-Acetyl-beta-D-glucosaminylamine" + ] + }, + { + "compound_id": "C01240", + "inchi": null, + "name": "2',3'-Cyclic nucleotide", + "names": [ + "2',3'-Cyclic nucleotide", + "Nucleoside 2',3'-cyclic phosphate" + ] + }, + { + "compound_id": "C01241", + "inchi": null, + "name": "Phosphatidyl-N-methylethanolamine", + "names": [ + "Phosphatidyl-N-methylethanolamine" + ] + }, + { + "compound_id": "C01242", + "inchi": null, + "name": "S-Aminomethyldihydrolipoylprotein", + "names": [ + "H-Protein-S-aminomethyldihydrolipoyllysine", + "S-Aminomethyldihydrolipoylprotein", + "[Protein]-S8-aminomethyldihydrolipoyllysine", + "s-aminomethyldihydro--lipoate" + ] + }, + { + "compound_id": "C01243", + "inchi": "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1", + "name": "1D-myo-Inositol 1,3,4-trisphosphate", + "names": [ + "1D-myo-Inositol 1,3,4-trisphosphate", + "D-myo-Inositol 1,3,4-trisphosphate", + "Inositol 1,3,4-trisphosphate" + ] + }, + { + "compound_id": "C01244", + "inchi": "InChI=1S/C9H6I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)", + "name": "3,5-Diiodo-4-hydroxyphenylpyruvate", + "names": [ + "(3,5-diiodo-4-hydroxyphenyl)pyruvate", + "3,5-Diiodo-4-hydroxyphenylpyruvate", + "3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate" + ] + }, + { + "compound_id": "C01245", + "inchi": "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1", + "name": "D-myo-Inositol 1,4,5-trisphosphate", + "names": [ + "1D-myo-Inositol 1,4,5-trisphosphate", + "D-myo-Inositol 1,4,5-trisphosphate", + "Inositol 1,4,5-trisphosphate", + "Ins(1,4,5)P3" + ] + }, + { + "compound_id": "C01246", + "inchi": "InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26?,27-,28-,29+,30-,31+/m1/s1", + "name": "Dolichyl beta-D-glucosyl phosphate", + "names": [ + "Dolichyl beta-D-glucosyl phosphate" + ] + }, + { + "compound_id": "C01247", + "inchi": null, + "name": "[Acetyl-CoA carboxylase] phosphate", + "names": [ + "[Acetyl-CoA carboxylase] phosphate" + ] + }, + { + "compound_id": "C01249", + "inchi": "InChI=1S/C10H9NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,6,9,12,14H,(H,11,13)(H,15,16)", + "name": "7,8-Dihydro-7,8-dihydroxykynurenate", + "names": [ + "7,8-Dihydro-7,8-dihydroxykynurenate" + ] + }, + { + "compound_id": "C01250", + "inchi": "InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1", + "name": "N-Acetyl-L-glutamate 5-semialdehyde", + "names": [ + "2-Acetamido-5-oxopentanoate", + "N-Acetyl-L-glutamate 5-semialdehyde" + ] + }, + { + "compound_id": "C01251", + "inchi": "InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1", + "name": "(R)-2-Hydroxybutane-1,2,4-tricarboxylate", + "names": [ + "(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid", + "(R)-2-Hydroxybutane-1,2,4-tricarboxylate", + "3-Hydroxy-3-carboxyadipic acid", + "Homocitrate", + "Homocitric acid" + ] + }, + { + "compound_id": "C01252", + "inchi": "InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)", + "name": "4-(2-Aminophenyl)-2,4-dioxobutanoate", + "names": [ + "4-(2-Aminophenyl)-2,4-dioxobutanoate" + ] + }, + { + "compound_id": "C01253", + "inchi": null, + "name": "ADP-D-ribosyl-[dinitrogen reductase]", + "names": [ + "ADP-D-ribosyl-[dinitrogen reductase]" + ] + }, + { + "compound_id": "C01255", + "inchi": "InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)", + "name": "N-(6-Aminohexanoyl)-6-aminohexanoate", + "names": [ + "N-(6-Aminohexanoyl)-6-aminohexanoate" + ] + }, + { + "compound_id": "C01256", + "inchi": null, + "name": "[Pyruvate dehydrogenase (acetyl-transferring)]", + "names": [ + "[Pyruvate dehydrogenase (acetyl-transferring)]" + ] + }, + { + "compound_id": "C01259", + "inchi": "InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1", + "name": "3-Hydroxy-N6,N6,N6-trimethyl-L-lysine", + "names": [ + "3-Hydroxy-N6,N6,N6-trimethyl-L-lysine" + ] + }, + { + "compound_id": "C01260", + "inchi": "InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1", + "name": "P1,P4-Bis(5'-adenosyl) tetraphosphate", + "names": [ + "AppppA", + "P1,P4-Bis(5'-adenosyl) tetraphosphate" + ] + }, + { + "compound_id": "C01261", + "inchi": "InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", + "name": "P1,P4-Bis(5'-guanosyl) tetraphosphate", + "names": [ + "Bis(5'-guanosyl) tetraphosphate", + "GppppG", + "P1,P4-Bis(5'-guanosyl) tetraphosphate" + ] + }, + { + "compound_id": "C01262", + "inchi": "InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1", + "name": "beta-Alanyl-N(pi)-methyl-L-histidine", + "names": [ + "Anserine", + "beta-Alanyl-N(pi)-methyl-L-histidine" + ] + }, + { + "compound_id": "C01263", + "inchi": "InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1", + "name": "(6aS,11aS)-3,6a,9-Trihydroxypterocarpan", + "names": [ + "(-)-Glycinol", + "(6aS,11aS)-3,6a,9-Trihydroxypterocarpan", + "3,6,9-Trihydroxypterocarpan" + ] + }, + { + "compound_id": "C01264", + "inchi": null, + "name": "2-Acetyl-1-alkyl-sn-glycero-3-phosphate", + "names": [ + "2-Acetyl-1-alkyl-sn-glycero-3-phosphate" + ] + }, + { + "compound_id": "C01265", + "inchi": "InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3", + "name": "3',4',5-Trihydroxy-3,7-dimethoxyflavone", + "names": [ + "3',4',5-Trihydroxy-3,7-dimethoxyflavone", + "3,7-Di-O-methylquercetin" + ] + }, + { + "compound_id": "C01266", + "inchi": "InChI=1S/C21H42N7O14P/c1-5-6(3-29)15(40-18-10(26-2)13(33)11(31)7(4-30)39-18)19(38-5)41-16-8(27-20(22)23)12(32)9(28-21(24)25)17(14(16)34)42-43(35,36)37/h5-19,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15?,16?,17-,18?,19?/m0/s1", + "name": "3'-Deoxydihydrostreptomycin 6-phosphate", + "names": [ + "3'-Deoxydihydrostreptomycin 6-phosphate" + ] + }, + { + "compound_id": "C01267", + "inchi": "InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)", + "name": "3-(Imidazol-4-yl)-2-oxopropyl phosphate", + "names": [ + "3-(Imidazol-4-yl)-2-oxopropyl phosphate", + "Imidazole-acetol phosphate" + ] + }, + { + "compound_id": "C01268", + "inchi": "InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1", + "name": "5-Amino-6-(5'-phosphoribosylamino)uracil", + "names": [ + "5-Amino-6-(5'-phosphoribosylamino)uracil", + "5-Amino-6-(5-phosphoribosylamino)uracil", + "5-Amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate" + ] + }, + { + "compound_id": "C01269", + "inchi": "InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1", + "name": "5-O-(1-Carboxyvinyl)-3-phosphoshikimate", + "names": [ + "5-O-(1-Carboxyvinyl)-3-phosphoshikimate", + "O5-(1-Carboxyvinyl)-3-phosphoshikimate" + ] + }, + { + "compound_id": "C01270", + "inchi": "InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)", + "name": "3-Hydroxy-2-methylpyridine-5-carboxylate", + "names": [ + "3-Hydroxy-2-methylpyridine-5-carboxylate" + ] + }, + { + "compound_id": "C01271", + "inchi": null, + "name": "(3R)-3-Hydroxyacyl-[acyl-carrier protein]", + "names": [ + "(3R)-3-Hydroxyacyl-[acyl-carrier protein]", + "(R)-3-Hydroxyacyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C01272", + "inchi": "InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1", + "name": "1D-myo-Inositol 1,3,4,5-tetrakisphosphate", + "names": [ + "1D-myo-Inositol 1,3,4,5-tetrakisphosphate", + "D-myo-Inositol 1,3,4,5-tetrakisphosphate", + "Inositol 1,3,4,5-tetrakisphosphate" + ] + }, + { + "compound_id": "C01273", + "inchi": "InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4-,11-8+", + "name": "2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate", + "names": [ + "2,6-Dioxo-6-phenylhexa-3-enoate", + "2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate" + ] + }, + { + "compound_id": "C01274", + "inchi": "InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1", + "name": "5-Formyl-5,6,7,8-tetrahydromethanopterin", + "names": [ + "5-Formyl-5,6,7,8-tetrahydromethanopterin", + "5-Formyl-H4MPT" + ] + }, + { + "compound_id": "C01275", + "inchi": "InChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5+", + "name": "(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", + "names": [ + "(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", + "trans-2'-Carboxybenzalpyruvate" + ] + }, + { + "compound_id": "C01277", + "inchi": null, + "name": "1-Phosphatidyl-1D-myo-inositol 4-phosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-4'-phosphate)", + "1-Phosphatidyl-1D-myo-inositol 4-phosphate", + "Phosphatidylinositol 4-phosphate" + ] + }, + { + "compound_id": "C01278", + "inchi": "InChI=1S/C7H6O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-2H,3H2,(H,8,9)(H,11,12)", + "name": "2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", + "names": [ + "2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", + "4-Carboxymuconolactone", + "5-Carboxy-2,5-dihydro-2-oxofuran-5-acetate", + "gamma-Carboxymuconolactone" + ] + }, + { + "compound_id": "C01279", + "inchi": "InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)", + "name": "4-Amino-5-hydroxymethyl-2-methylpyrimidine", + "names": [ + "4-Amino-2-methyl-5-pyrimidinemethanol", + "4-Amino-5-hydroxymethyl-2-methylpyrimidine", + "Toxopyrimidine" + ] + }, + { + "compound_id": "C01280", + "inchi": "InChI=1S/C21H43N7O18P2/c1-5-21(34,4-41-47(35,36)37)16(45-17-9(26-2)12(32)10(30)6(3-29)43-17)18(42-5)44-14-7(27-19(22)23)11(31)8(28-20(24)25)15(13(14)33)46-48(38,39)40/h5-18,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)(H2,38,39,40)/t5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15-,16?,17?,18?,21+/m0/s1", + "name": "Dihydrostreptomycin 3'alpha,6-bisphosphate", + "names": [ + "Dihydrostreptomycin 3'alpha,6-bisphosphate" + ] + }, + { + "compound_id": "C01281", + "inchi": null, + "name": "[L-Glutamate:ammonia ligase (ADP-forming)]", + "names": [ + "[L-Glutamate:ammonia ligase (ADP-forming)]", + "[L-glutamate:ammonia ligase(adp-forming)]", + "[l-glutamate:ammonia ligase(adp-forming)]" + ] + }, + { + "compound_id": "C01282", + "inchi": null, + "name": "1-Acyl-2-oleoyl-sn-glycero-3-phosphocholine", + "names": [ + "1-Acyl-2-oleoyl-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C01283", + "inchi": "InChI=1S/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/t1-,2-,3+,4+,5-,6-", + "name": "1-Amino-1-deoxy-scyllo-inositol 4-phosphate", + "names": [ + "1-Amino-1-deoxy-scyllo-inositol 4-phosphate", + "scyllo-Inosamine 4-phosphate" + ] + }, + { + "compound_id": "C01284", + "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+", + "name": "1D-myo-Inositol 1,3,4,5,6-pentakisphosphate", + "names": [ + "1D-myo-Inositol 1,3,4,5,6-pentakisphosphate", + "D-myo-Inositol 1,3,4,5,6-pentakisphosphate", + "Inositol 1,3,4,5,6-pentakisphosphate" + ] + }, + { + "compound_id": "C01285", + "inchi": "InChI=1S/C16H11Cl2NO2/c17-12-7-9(8-13(18)16(12)21)19-14-5-6-15(20)11-4-2-1-3-10(11)14/h1-4,7-8,21H,5-6H2", + "name": "2,6-Dichlorophenol-4-(1,4-naphthoquinone imine)", + "names": [ + "2,6-Dichlorophenol-4-(1,4-naphthoquinone imine)" + ] + }, + { + "compound_id": "C01286", + "inchi": "InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5-/m1/s1", + "name": "2-Dehydro-3-deoxy-D-galactonate 6-phosphate", + "names": [ + "2-Dehydro-3-deoxy-D-galactonate 6-phosphate" + ] + }, + { + "compound_id": "C01288", + "inchi": null, + "name": "N-Acetyl-D-glucosaminylphosphatidylinositol", + "names": [ + "6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol", + "N-Acetyl-D-glucosaminylphosphatidylinositol" + ] + }, + { + "compound_id": "C01289", + "inchi": "InChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61-,62-,63-/m1/s1", + "name": "N-Acetyl-D-glucosaminyldiphosphoundecaprenol", + "names": [ + "N-Acetyl-D-glucosaminyldiphosphoundecaprenol" + ] + }, + { + "compound_id": "C01290", + "inchi": null, + "name": "beta-D-Galactosyl-1,4-beta-D-glucosylceramide", + "names": [ + "D-Galactosyl-1,4-beta-D-glucosylceramide", + "Gal-beta1->4Glc-beta1->1'Cer", + "LacCer", + "Lactosyl-N-acylsphingosine", + "Lactosylceramide", + "beta-D-Galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C01291", + "inchi": "InChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-13+/t20-,25-,26-,27?,31-/m1/s1", + "name": "3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA", + "names": [ + "3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA", + "Isohexenyl-glutaconyl-CoA" + ] + }, + { + "compound_id": "C01292", + "inchi": "InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,22?,23?,24?/m0/s1", + "name": "3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate", + "names": [ + "3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate" + ] + }, + { + "compound_id": "C01293", + "inchi": null, + "name": "[Pyruvate dehydrogenase (acetyl-transferring)] phosphate", + "names": [ + "[Pyruvate dehydrogenase (acetyl-transferring)] phosphate" + ] + }, + { + "compound_id": "C01294", + "inchi": "InChI=1S/C7H16N3O8P/c8-7(9)10-1-2(11)4(13)6(5(14)3(1)12)18-19(15,16)17/h1-6,11-14H,(H4,8,9,10)(H2,15,16,17)/t1-,2-,3+,4+,5-,6-", + "name": "1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate", + "names": [ + "1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate", + "N-Amidino-scyllo-inosamine 4-phosphate" + ] + }, + { + "compound_id": "C01295", + "inchi": "InChI=1S/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3/t2-,3+,5-,6+,7+/m1/s1", + "name": "2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone", + "names": [ + "2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone", + "5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone", + "D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone" + ] + }, + { + "compound_id": "C01297", + "inchi": "InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)", + "name": "6-Hydroxypseudooxynicotine", + "names": [ + "1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one", + "6-Hydroxypseudooxynicotine" + ] + }, + { + "compound_id": "C01298", + "inchi": "InChI=1S/C7H16N4O4/c8-1-3(12)2(11-7(9)10)5(14)6(15)4(1)13/h1-6,12-15H,8H2,(H4,9,10,11)/t1-,2+,3-,4+,5-,6-/m0/s1", + "name": "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol", + "names": [ + "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol", + "Amidinostreptamine" + ] + }, + { + "compound_id": "C01299", + "inchi": null, + "name": "Adenylyl-[L-glutamate:ammonia ligase (ADP-forming)]", + "names": [ + "Adenylyl-[L-glutamate:ammonia ligase (ADP-forming)]", + "Adenylyl-[l-glutamate:ammonia ligase(adp-forming)]", + "[L-Glutamate:ammonia ligase (ADP-forming)] inactive form", + "adenylyl-[l-glutamate:ammonia ligase(adp-forming)]" + ] + }, + { + "compound_id": "C01300", + "inchi": "InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)", + "name": "2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine", + "names": [ + "2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine" + ] + }, + { + "compound_id": "C01301", + "inchi": "InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al" + ] + }, + { + "compound_id": "C01302", + "inchi": "InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/t10-,11+/m1/s1", + "name": "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate", + "names": [ + "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate" + ] + }, + { + "compound_id": "C01304", + "inchi": "InChI=1S/C9H16N5O8P/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(22-8)1-21-23(18,19)20/h2,4-5,8,15-16H,1,10H2,(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1", + "name": "2,5-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one", + "names": [ + "2,5-Diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate", + "2,5-Diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one" + ] + }, + { + "compound_id": "C01306", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-D-galactosaminyl-R", + "names": [ + "N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-D-galactosaminyl-R", + "N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-beta-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C01308", + "inchi": null, + "name": "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)] phosphate", + "names": [ + "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)] phosphate", + "[3-Methyl-2-oxobutanoate dehydrogenase (lipoamide)] phosphate" + ] + }, + { + "compound_id": "C01310", + "inchi": "InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1", + "name": "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine", + "names": [ + "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine" + ] + }, + { + "compound_id": "C01311", + "inchi": null, + "name": "1,4-beta-D-Galactosyl-(alpha-1,3-L-fucosyl)-N-acetyl-D-glucosaminyl-R", + "names": [ + "1,4-beta-D-Galactosyl-(alpha-1,3-L-fucosyl)-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C01312", + "inchi": "InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1", + "name": "Prostaglandin I2", + "names": [ + "(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate", + "Epoprostenol", + "PGI2", + "Prostacyclin", + "Prostaglandin I2" + ] + }, + { + "compound_id": "C01313", + "inchi": "InChI=1S/C15H18N2O6S/c18-14(19)5-16-15(20)10-4-9(11(6-24)17(10)21)8-1-2-12-13(3-8)23-7-22-12/h1-3,9-11,21,24H,4-7H2,(H,16,20)(H,18,19)/t9?,10-,11?/m0/s1", + "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine", + "names": [ + "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine" + ] + }, + { + "compound_id": "C01314", + "inchi": "InChI=1S/C16H20N2O6S/c1-8(16(20)21)17-15(19)11-5-10(12(6-25)18(11)22)9-2-3-13-14(4-9)24-7-23-13/h2-4,8,10-12,22,25H,5-7H2,1H3,(H,17,19)(H,20,21)/t8-,10?,11-,12?/m0/s1", + "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine", + "names": [ + "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine" + ] + }, + { + "compound_id": "C01315", + "inchi": "InChI=1S/C24H26N2O7S/c1-15(27)34-13-20-18(17-7-8-21-22(9-17)33-14-32-21)10-19(26(20)30)24(29)25-11-23(28)31-12-16-5-3-2-4-6-16/h2-9,18-20,30H,10-14H2,1H3,(H,25,29)/t18?,19-,20?/m0/s1", + "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester", + "names": [ + "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester" + ] + }, + { + "compound_id": "C01316", + "inchi": "InChI=1S/C25H28N2O7S/c1-15(25(30)32-12-17-6-4-3-5-7-17)26-24(29)20-11-19(21(27(20)31)13-35-16(2)28)18-8-9-22-23(10-18)34-14-33-22/h3-10,15,19-21,31H,11-14H2,1-2H3,(H,26,29)/t15-,19?,20-,21?/m0/s1", + "name": "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester", + "names": [ + "(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]-(S)-alanine benzyl ester" + ] + }, + { + "compound_id": "C01319", + "inchi": "InChI=1S/Hg", + "name": "Hg", + "names": [ + "Elemental mercury", + "Hg", + "Mercury" + ] + }, + { + "compound_id": "C01321", + "inchi": null, + "name": "RI", + "names": [ + "RI" + ] + }, + { + "compound_id": "C01322", + "inchi": null, + "name": "RX", + "names": [ + "Organic halide", + "RX" + ] + }, + { + "compound_id": "C01324", + "inchi": "InChI=1S/BrH/h1H/p-1", + "name": "Bromide", + "names": [ + "Br-", + "Bromide" + ] + }, + { + "compound_id": "C01326", + "inchi": "InChI=1S/CHN/c1-2/h1H", + "name": "Hydrogen cyanide", + "names": [ + "HCN", + "Hydrogen cyanide" + ] + }, + { + "compound_id": "C01327", + "inchi": "InChI=1S/ClH/h1H", + "name": "Hydrochloric acid", + "names": [ + "HCl", + "Hydrochloric acid", + "Hydrochloride", + "Hydrogen chloride" + ] + }, + { + "compound_id": "C01328", + "inchi": "InChI=1S/H2O/h1H2/p-1", + "name": "HO-", + "names": [ + "HO-", + "Hydroxide ion", + "OH-" + ] + }, + { + "compound_id": "C01329", + "inchi": null, + "name": "Nucleoside phosphate", + "names": [ + "NMP", + "Nucleoside monophosphate", + "Nucleoside phosphate" + ] + }, + { + "compound_id": "C01330", + "inchi": "InChI=1S/Na/q+1", + "name": "Sodium cation", + "names": [ + "Na+", + "Sodium cation", + "Sodium ion", + "Sodium(1+)" + ] + }, + { + "compound_id": "C01334", + "inchi": null, + "name": "RCl", + "names": [ + "RCl" + ] + }, + { + "compound_id": "C01335", + "inchi": null, + "name": "ROH", + "names": [ + "ROH" + ] + }, + { + "compound_id": "C01336", + "inchi": null, + "name": "Aryl thiol", + "names": [ + "Aryl thiol", + "RSH" + ] + }, + { + "compound_id": "C01337", + "inchi": "InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1", + "name": "XDP", + "names": [ + "XDP", + "Xanthosine 5'-pyrophosphate" + ] + }, + { + "compound_id": "C01341", + "inchi": "InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1", + "name": "E-64", + "names": [ + "E-64", + "Proteinase inhibitor E 64" + ] + }, + { + "compound_id": "C01342", + "inchi": "InChI=1S/H3N/h1H3/p+1", + "name": "NH4+", + "names": [ + "Ammonia ion", + "Ammonium(1+)", + "NH4+" + ] + }, + { + "compound_id": "C01343", + "inchi": null, + "name": "Alkylmercury", + "names": [ + "Alkylmercury", + "Alkylmercury ion", + "RHg+" + ] + }, + { + "compound_id": "C01344", + "inchi": "InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1", + "name": "dIDP", + "names": [ + "2'-Deoxyinosine 5'-diphosphate", + "2'-Deoxyinosine-5'-diphosphate", + "dIDP" + ] + }, + { + "compound_id": "C01345", + "inchi": "InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1", + "name": "dITP", + "names": [ + "2'-Deoxyinosine 5'-triphosphate", + "2'-Deoxyinosine-5'-triphosphate", + "dITP" + ] + }, + { + "compound_id": "C01346", + "inchi": "InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", + "name": "dUDP", + "names": [ + "2'-Deoxyuridine 5'-diphosphate", + "dUDP" + ] + }, + { + "compound_id": "C01347", + "inchi": "InChI=1S/C10H14N4O11P2/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)24-5(4)2-23-27(21,22)25-26(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1", + "name": "dXDP", + "names": [ + "dXDP" + ] + }, + { + "compound_id": "C01348", + "inchi": "InChI=1S/C10H15N4O14P3/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1", + "name": "dXTP", + "names": [ + "dXTP" + ] + }, + { + "compound_id": "C01349", + "inchi": "InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3", + "name": "AA861", + "names": [ + "AA861", + "Docebenone" + ] + }, + { + "compound_id": "C01352", + "inchi": "InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1", + "name": "FADH2", + "names": [ + "FADH2", + "reduced flavin-adenine dinucleotide" + ] + }, + { + "compound_id": "C01353", + "inchi": "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1", + "name": "carbonic acid", + "names": [ + "carbonic acid" + ] + }, + { + "compound_id": "C01355", + "inchi": null, + "name": "Fructan", + "names": [ + "Fructan", + "beta-D-Fructan" + ] + }, + { + "compound_id": "C01356", + "inchi": null, + "name": "Lipid", + "names": [ + "Lipid" + ] + }, + { + "compound_id": "C01358", + "inchi": "InChI=1S/H3N.H2O/h1H3;1H2", + "name": "NH4OH", + "names": [ + "Ammonium hydroxide", + "NH4OH" + ] + }, + { + "compound_id": "C01359", + "inchi": "InChI=1S/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24)", + "name": "PQQH2", + "names": [ + "PQQH2", + "Reduced pyrroloquinoline-quinone" + ] + }, + { + "compound_id": "C01362", + "inchi": null, + "name": "Ricin", + "names": [ + "Ricin" + ] + }, + { + "compound_id": "C01365", + "inchi": null, + "name": "X-Trp", + "names": [ + "X-Trp" + ] + }, + { + "compound_id": "C01367", + "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "3'-AMP", + "names": [ + "3'-AMP", + "3'-Adenosine monophosphate", + "3'-Adenylic acid", + "AMP 3'-phosphate", + "Adenosine 3'-phosphate", + "Adenosine-3'-monophosphate", + "adenosine 3'-monophosphate" + ] + }, + { + "compound_id": "C01368", + "inchi": "InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "3'-UMP", + "names": [ + "3'-UMP", + "Uridine 3'-monophosphate", + "Uridine 3'-phosphate" + ] + }, + { + "compound_id": "C01370", + "inchi": null, + "name": "Aldose", + "names": [ + "Aldose" + ] + }, + { + "compound_id": "C01371", + "inchi": null, + "name": "Alkane", + "names": [ + "Alkane", + "RH" + ] + }, + { + "compound_id": "C01372", + "inchi": null, + "name": "Alkene", + "names": [ + "Alkene" + ] + }, + { + "compound_id": "C01375", + "inchi": "InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1", + "name": "Tacrolimus", + "names": [ + "FK 506", + "FK506", + "Tacrolimus" + ] + }, + { + "compound_id": "C01378", + "inchi": "InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1", + "name": "Fustin", + "names": [ + "2,3-Dihydrofisetin", + "Fustin" + ] + }, + { + "compound_id": "C01380", + "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", + "name": "Ethylene glycol", + "names": [ + "1,2-Ethanediol", + "Ethane-1,2-diol", + "Ethylene glycol" + ] + }, + { + "compound_id": "C01382", + "inchi": "InChI=1S/I2/c1-2", + "name": "Iodine", + "names": [ + "I2", + "Iodine" + ] + }, + { + "compound_id": "C01384", + "inchi": "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-", + "name": "Maleic acid", + "names": [ + "Maleate", + "Maleic acid", + "cis-Butenedioic acid" + ] + }, + { + "compound_id": "C01386", + "inchi": "InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3", + "name": "NH2Mec", + "names": [ + "7-Amino-4-methylcoumarin", + "NH2Mec" + ] + }, + { + "compound_id": "C01387", + "inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", + "name": "Octane", + "names": [ + "Octane", + "n-Octane" + ] + }, + { + "compound_id": "C01389", + "inchi": "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1", + "name": "Phytol", + "names": [ + "Phytol" + ] + }, + { + "compound_id": "C01390", + "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3", + "name": "Prenol", + "names": [ + "3-Methyl-2-buten-1-ol", + "Prenol", + "Prenyl alcohol" + ] + }, + { + "compound_id": "C01392", + "inchi": null, + "name": "alpha-Tubulin", + "names": [ + "C-terminal-tyrosinated alpha-Tubulin", + "alpha-Tubulin" + ] + }, + { + "compound_id": "C01394", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1", + "name": "Xylose", + "names": [ + "Xylose" + ] + }, + { + "compound_id": "C01397", + "inchi": "InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-", + "name": "Arachidonyltrifluoromethane", + "names": [ + "AACOCF3", + "Arachidonyltrifluoromethane" + ] + }, + { + "compound_id": "C01398", + "inchi": null, + "name": "Acyloin", + "names": [ + "Acyloin" + ] + }, + { + "compound_id": "C01399", + "inchi": null, + "name": "Agarose", + "names": [ + "Agarose" + ] + }, + { + "compound_id": "C01401", + "inchi": "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)", + "name": "Alanine", + "names": [ + "2-Aminopropanoic acid", + "2-Aminopropionic acid", + "Alanine" + ] + }, + { + "compound_id": "C01402", + "inchi": null, + "name": "Anilide", + "names": [ + "Anilide" + ] + }, + { + "compound_id": "C01403", + "inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3", + "name": "Anisole", + "names": [ + "Anisole", + "Methoxybenzene", + "Methyl phenyl ether", + "Phenol methyl ether" + ] + }, + { + "compound_id": "C01404", + "inchi": "InChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)/t6-/m0/s1", + "name": "Arg-OEt", + "names": [ + "Arg-OEt" + ] + }, + { + "compound_id": "C01405", + "inchi": "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)", + "name": "Aspirin", + "names": [ + "2-Acetoxybenzenecarboxylic acid", + "Acetylsalicylate", + "Acetylsalicylic acid", + "Aspirin" + ] + }, + { + "compound_id": "C01407", + "inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H", + "name": "Benzene", + "names": [ + "Benzene" + ] + }, + { + "compound_id": "C01408", + "inchi": "InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H", + "name": "Benzoin", + "names": [ + "2-Hydroxy-1,2-diphenylethanone", + "Benzoin", + "Benzoin tincture" + ] + }, + { + "compound_id": "C01410", + "inchi": "InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1", + "name": "Boc-Asn", + "names": [ + "Boc-Asn", + "N-alpha-Boc-L-asparagine" + ] + }, + { + "compound_id": "C01411", + "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3", + "name": "Borneol", + "names": [ + "Borneol" + ] + }, + { + "compound_id": "C01412", + "inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3", + "name": "Butanal", + "names": [ + "Butanal", + "Butyraldehyde" + ] + }, + { + "compound_id": "C01413", + "inchi": "InChI=1S/Cd", + "name": "Cadmium", + "names": [ + "Cadmium" + ] + }, + { + "compound_id": "C01414", + "inchi": "InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+", + "name": "Casbene", + "names": [ + "Casbene" + ] + }, + { + "compound_id": "C01416", + "inchi": "InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1", + "name": "Cocaine", + "names": [ + "Cocaine", + "beta-Cocain", + "l-Cocain" + ] + }, + { + "compound_id": "C01417", + "inchi": "InChI=1S/CHNO/c2-1-3/h3H", + "name": "Cyanate", + "names": [ + "Cyanate", + "Cyanic acid" + ] + }, + { + "compound_id": "C01418", + "inchi": "InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3/b10-9-/t4-,5-,6+,7-,8-/m1/s1", + "name": "Cycasin", + "names": [ + "Cycasin" + ] + }, + { + "compound_id": "C01419", + "inchi": "InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1", + "name": "Cys-Gly", + "names": [ + "Cys-Gly", + "L-Cysteinylglycine" + ] + }, + { + "compound_id": "C01420", + "inchi": "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)", + "name": "Cystine", + "names": [ + "Cystine", + "Dicysteine", + "alpha-Diamino-beta-dithiolactic acid" + ] + }, + { + "compound_id": "C01421", + "inchi": "InChI=1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1", + "name": "Daphnin", + "names": [ + "Daphnin" + ] + }, + { + "compound_id": "C01424", + "inchi": "InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)", + "name": "Gallate", + "names": [ + "3,4,5-Trihydroxybenzoate", + "3,4,5-Trihydroxybenzoic acid", + "Gallate", + "Gallic acid", + "Pyrogallol-5-carboxylic acid" + ] + }, + { + "compound_id": "C01425", + "inchi": "InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", + "name": "Glutamyl-glutamic acid", + "names": [ + "Glu-Glu", + "Glutamyl-glutamic acid", + "L-alpha-Glutamyl-L-glutamic acid" + ] + }, + { + "compound_id": "C01432", + "inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)", + "name": "Lactate", + "names": [ + "2-Hydroxypropanoic acid", + "2-Hydroxypropionic acid", + "Lactate", + "Lactic acid" + ] + }, + { + "compound_id": "C01433", + "inchi": "InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1", + "name": "Loganin", + "names": [ + "Loganin" + ] + }, + { + "compound_id": "C01438", + "inchi": "InChI=1S/CH4/h1H4", + "name": "Methane", + "names": [ + "Methane" + ] + }, + { + "compound_id": "C01441", + "inchi": "InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1", + "name": "Neamine", + "names": [ + "Neamine", + "Neomycin A" + ] + }, + { + "compound_id": "C01443", + "inchi": "InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1", + "name": "Ouabain", + "names": [ + "G-Strophanthin", + "Ouabain" + ] + }, + { + "compound_id": "C01444", + "inchi": "InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)", + "name": "Oxamate", + "names": [ + "Oxalic monoamide", + "Oxamate", + "Oxamic acid" + ] + }, + { + "compound_id": "C01445", + "inchi": "InChI=1S/C30H37N15O19P2/c31-28-37-19-10(22(51)40-28)34-4-43(19)25-14(48)13(47)8(61-25)2-58-65(54,55)64-18-9(62-27(16(18)50)45-6-36-12-21(45)39-30(33)42-24(12)53)3-59-66(56,57)63-17-7(1-46)60-26(15(17)49)44-5-35-11-20(44)38-29(32)41-23(11)52/h4-9,13-18,25-27,46-50H,1-3H2,(H,54,55)(H,56,57)(H3,31,37,40,51)(H3,32,38,41,52)(H3,33,39,42,53)/t7-,8-,9-,13-,14-,15-,16-,17-,18-,25-,26-,27-/m1/s1", + "name": "Poly(G)", + "names": [ + "Poly(G)" + ] + }, + { + "compound_id": "C01448", + "inchi": "InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3", + "name": "Questin", + "names": [ + "Questin" + ] + }, + { + "compound_id": "C01449", + "inchi": "InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1", + "name": "Queuine", + "names": [ + "Base Q", + "Queuine" + ] + }, + { + "compound_id": "C01450", + "inchi": null, + "name": "Ketone", + "names": [ + "Ketone", + "R-CO-R'" + ] + }, + { + "compound_id": "C01451", + "inchi": "InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1", + "name": "Salicin", + "names": [ + "Salicin", + "Salicoside" + ] + }, + { + "compound_id": "C01452", + "inchi": "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1", + "name": "Sorbose", + "names": [ + "DL-Sorbose", + "Sorbose", + "xylo-Hexulose" + ] + }, + { + "compound_id": "C01453", + "inchi": "InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)", + "name": "Tacrine", + "names": [ + "Tacrine" + ] + }, + { + "compound_id": "C01454", + "inchi": "InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)", + "name": "Toluate", + "names": [ + "4-Methylbenzoic acid", + "Crithminic acid", + "Toluate", + "Toluenecarboxylic acid", + "p-Toluate", + "p-Toluic acid" + ] + }, + { + "compound_id": "C01455", + "inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3", + "name": "Toluene", + "names": [ + "Methylbenzene", + "Toluene", + "Toluol" + ] + }, + { + "compound_id": "C01456", + "inchi": "InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)", + "name": "Tropate", + "names": [ + "Tropate", + "Tropic acid", + "alpha-(Hydroxymethyl)phenylacetic acid" + ] + }, + { + "compound_id": "C01457", + "inchi": "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35?,36-,37-,38-,39?,40-,41-,42-,43+,44?,45-,46-/m1/s1", + "name": "Tylosin", + "names": [ + "Tylosin" + ] + }, + { + "compound_id": "C01458", + "inchi": "InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1", + "name": "Tyr-OEt", + "names": [ + "Tyr-OEt" + ] + }, + { + "compound_id": "C01460", + "inchi": "InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1", + "name": "Vitexin", + "names": [ + "Apigenin 8-C-glucoside", + "Vitexin" + ] + }, + { + "compound_id": "C01464", + "inchi": "InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2", + "name": "Xanthan", + "names": [ + "Xanthan", + "Xanthene" + ] + }, + { + "compound_id": "C01467", + "inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3", + "name": "3-Cresol", + "names": [ + "3-Cresol", + "3-Hydroxytoluene", + "m-Cresol" + ] + }, + { + "compound_id": "C01468", + "inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3", + "name": "4-Cresol", + "names": [ + "4-Cresol", + "4-Hydroxytoluene", + "4-Methylphenol", + "p-Cresol" + ] + }, + { + "compound_id": "C01469", + "inchi": null, + "name": "ADP-sugar", + "names": [ + "ADP--s", + "ADP-sugar", + "adp--s" + ] + }, + { + "compound_id": "C01470", + "inchi": "InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3", + "name": "Acacetin", + "names": [ + "4'-Methoxy-5,7-dihydroxyflavone", + "5,7-Dihydroxy-4'-methoxyflavone", + "Acacetin" + ] + }, + { + "compound_id": "C01471", + "inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2", + "name": "Acrolein", + "names": [ + "Acrolein", + "Acrylaldehyde", + "Acrylic aldehyde", + "Propenal" + ] + }, + { + "compound_id": "C01474", + "inchi": "InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H", + "name": "Alizarin", + "names": [ + "1,2-Dihydroxyanthraquinone", + "Alizarin", + "Dihydroxy-9,10-anthracenedione", + "Dihydroxyanthraquinone" + ] + }, + { + "compound_id": "C01477", + "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H", + "name": "Apigenin", + "names": [ + "4',5,7-Trihydroxyflavone", + "5,7,4'-Trihydroxyflavone", + "Apigenin" + ] + }, + { + "compound_id": "C01478", + "inchi": "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)", + "name": "Arsenic acid", + "names": [ + "Arsenic acid", + "Orthoarsenic acid" + ] + }, + { + "compound_id": "C01479", + "inchi": "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?", + "name": "Atropine", + "names": [ + "Atropine", + "dl-Hyoscyamine" + ] + }, + { + "compound_id": "C01481", + "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+", + "name": "Caffeate", + "names": [ + "3,4-Dihydroxycinnamic acid", + "Caffeate", + "Caffeic acid" + ] + }, + { + "compound_id": "C01484", + "inchi": "InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+", + "name": "Chalcone", + "names": [ + "1,3-Diphenyl-2-propen-1-one", + "Benzylideneacetophenone", + "Chalcone" + ] + }, + { + "compound_id": "C01485", + "inchi": "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)", + "name": "Chloric acid", + "names": [ + "Chlorate", + "Chloric acid" + ] + }, + { + "compound_id": "C01486", + "inchi": "InChI=1S/ClHO2/c2-1-3/h(H,2,3)", + "name": "Chlorous acid", + "names": [ + "Chlorite", + "Chlorous acid" + ] + }, + { + "compound_id": "C01487", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1", + "name": "D-Allose", + "names": [ + "D-Allose" + ] + }, + { + "compound_id": "C01488", + "inchi": "InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2", + "name": "D-Apiose", + "names": [ + "D-Apiose" + ] + }, + { + "compound_id": "C01489", + "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m1/s1", + "name": "D-Iditol", + "names": [ + "D-Iditol" + ] + }, + { + "compound_id": "C01490", + "inchi": null, + "name": "Dermatan", + "names": [ + "Dermatan", + "Dermatan L-iduronate" + ] + }, + { + "compound_id": "C01491", + "inchi": null, + "name": "Factor H", + "names": [ + "Complement factor H", + "Factor H" + ] + }, + { + "compound_id": "C01493", + "inchi": null, + "name": "Farnesol", + "names": [ + "Farnesol" + ] + }, + { + "compound_id": "C01494", + "inchi": "InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+", + "name": "Ferulate", + "names": [ + "3-Methoxy-4-hydroxy-trans-cinnamate", + "4-Hydroxy-3-methoxycinnamic acid", + "Ferulate", + "Ferulic acid" + ] + }, + { + "compound_id": "C01495", + "inchi": "InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H", + "name": "Flavonol", + "names": [ + "Flavonol" + ] + }, + { + "compound_id": "C01496", + "inchi": null, + "name": "Fructose", + "names": [ + "Fructose", + "arabino-Hexulose" + ] + }, + { + "compound_id": "C01498", + "inchi": null, + "name": "Gelatine", + "names": [ + "Gelatin", + "Gelatine" + ] + }, + { + "compound_id": "C01499", + "inchi": "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+", + "name": "Geranial", + "names": [ + "Geranial", + "trans-Citral" + ] + }, + { + "compound_id": "C01500", + "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+", + "name": "Geraniol", + "names": [ + "Geraniol" + ] + }, + { + "compound_id": "C01501", + "inchi": null, + "name": "Glucagon", + "names": [ + "Glucagon" + ] + }, + { + "compound_id": "C01502", + "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3", + "name": "o-Methoxyphenol", + "names": [ + "Catechol monomethyl ether", + "Guaiacol", + "o-Methoxyphenol" + ] + }, + { + "compound_id": "C01504", + "inchi": "InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2", + "name": "Indanone", + "names": [ + "1-Indanone", + "1H-Inden-1-one, 2,3-dihydro-", + "Hydrindone", + "Indanone" + ] + }, + { + "compound_id": "C01505", + "inchi": "InChI=1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1", + "name": "Kallidin", + "names": [ + "Kallidin", + "Lysyl-bradykinin", + "Lysylbradykinin" + ] + }, + { + "compound_id": "C01506", + "inchi": null, + "name": "L-Glycol", + "names": [ + "L-Glycol" + ] + }, + { + "compound_id": "C01507", + "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1", + "name": "L-Iditol", + "names": [ + "L-Iditol" + ] + }, + { + "compound_id": "C01508", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5?/m0/s1", + "name": "L-Lyxose", + "names": [ + "L-Lyxose", + "Lyxose", + "lyxose" + ] + }, + { + "compound_id": "C01510", + "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5?/m0/s1", + "name": "L-Xylose", + "names": [ + "L-Xylofuranose", + "L-Xylose" + ] + }, + { + "compound_id": "C01512", + "inchi": "InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1", + "name": "Loganate", + "names": [ + "Loganate", + "Loganic acid" + ] + }, + { + "compound_id": "C01513", + "inchi": "InChI=1S/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)/b8-2+/t9-/m1/s1", + "name": "Lupinate", + "names": [ + "(S)-2-Amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoic acid", + "3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine", + "Lupinate", + "Lupinic acid" + ] + }, + { + "compound_id": "C01514", + "inchi": "InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H", + "name": "Luteolin", + "names": [ + "3',4',5,7-Tetrahydroxyflavone", + "5,7,3',4'-Tetrahydroxyflavone", + "Luteolin" + ] + }, + { + "compound_id": "C01516", + "inchi": "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1", + "name": "Morphine", + "names": [ + "Morphine" + ] + }, + { + "compound_id": "C01517", + "inchi": "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)", + "name": "Naproxen", + "names": [ + "Naproxen" + ] + }, + { + "compound_id": "C01518", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10?,11?,12?/m1/s1", + "name": "Nigerose", + "names": [ + "3-O-alpha-D-Glucopyranosyl-D-glucose", + "Nigerose", + "Sakebiose" + ] + }, + { + "compound_id": "C01520", + "inchi": null, + "name": "Pachyman", + "names": [ + "Pachyman" + ] + }, + { + "compound_id": "C01523", + "inchi": "InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1", + "name": "Pregnane", + "names": [ + "5beta-Pregnane", + "Pregnane" + ] + }, + { + "compound_id": "C01525", + "inchi": null, + "name": "R'C(R)SH", + "names": [ + "R'C(R)SH" + ] + }, + { + "compound_id": "C01526", + "inchi": "InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3", + "name": "Ricinine", + "names": [ + "Ricinine" + ] + }, + { + "compound_id": "C01527", + "inchi": "InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1", + "name": "Scopolin", + "names": [ + "Scopolin" + ] + }, + { + "compound_id": "C01528", + "inchi": "InChI=1S/H2Se/h1H2", + "name": "Hydrogen selenide", + "names": [ + "Hydrogen selenide", + "Selenide" + ] + }, + { + "compound_id": "C01529", + "inchi": "InChI=1/Se", + "name": "Selenium", + "names": [ + "Selenium" + ] + }, + { + "compound_id": "C01530", + "inchi": "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)", + "name": "Octadecanoic acid", + "names": [ + "Octadecanoic acid", + "Stearate", + "Stearic acid" + ] + }, + { + "compound_id": "C01531", + "inchi": "InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+", + "name": "Sulindac", + "names": [ + "Sulindac" + ] + }, + { + "compound_id": "C01533", + "inchi": "InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1", + "name": "Syringin", + "names": [ + "Eleutheroside B", + "Syringin" + ] + }, + { + "compound_id": "C01536", + "inchi": "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)", + "name": "DL-Tyrosine", + "names": [ + "2-Amino-3-(p-hydroxyphenyl)propionic acid", + "3-(p-Hydroxyphenyl)alanine", + "DL-Tyrosine", + "Tyrosine" + ] + }, + { + "compound_id": "C01537", + "inchi": "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)", + "name": "Urethane", + "names": [ + "Ethyl carbamate", + "Urethane" + ] + }, + { + "compound_id": "C01540", + "inchi": "InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1", + "name": "Viomycin", + "names": [ + "Viomycin" + ] + }, + { + "compound_id": "C01541", + "inchi": "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3", + "name": "Warfarin", + "names": [ + "Warfarin" + ] + }, + { + "compound_id": "C01542", + "inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3", + "name": "o-Cresol", + "names": [ + "2-Hydroxytoluene", + "o-Cresol", + "o-Methylphenol" + ] + }, + { + "compound_id": "C01545", + "inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3", + "name": "1-Octanal", + "names": [ + "1-Caprylaldehyde", + "1-Octaldehyde", + "1-Octanal", + "1-Octylaldehyde", + "Octanal", + "octanal" + ] + }, + { + "compound_id": "C01546", + "inchi": "InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)", + "name": "2-Furoate", + "names": [ + "2-Furancarboxylic acid", + "2-Furoate", + "2-Furoic acid", + "Pyromucic acid" + ] + }, + { + "compound_id": "C01547", + "inchi": null, + "name": "ADP-aldose", + "names": [ + "ADP-aldose" + ] + }, + { + "compound_id": "C01548", + "inchi": "InChI=1S/C2H2/c1-2/h1-2H", + "name": "Acetylene", + "names": [ + "Acetylene", + "Ethyne" + ] + }, + { + "compound_id": "C01550", + "inchi": "InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1", + "name": "Agaritine", + "names": [ + "Agaritine" + ] + }, + { + "compound_id": "C01551", + "inchi": "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)", + "name": "Allantoin", + "names": [ + "5-Ureidohydantoin", + "Allantoin", + "Glyoxyldiureide" + ] + }, + { + "compound_id": "C01552", + "inchi": "InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1", + "name": "Amastatin", + "names": [ + "Amastatin" + ] + }, + { + "compound_id": "C01553", + "inchi": "InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)", + "name": "Amsacrine", + "names": [ + "4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide", + "Amsacrine", + "mAMSA" + ] + }, + { + "compound_id": "C01554", + "inchi": "InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1", + "name": "5alpha-Androstane", + "names": [ + "5alpha-Androstane" + ] + }, + { + "compound_id": "C01555", + "inchi": "InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1", + "name": "Apramycin", + "names": [ + "Apramycin" + ] + }, + { + "compound_id": "C01557", + "inchi": "InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3", + "name": "Bergapten", + "names": [ + "5-Methoxyfuranocoumarin", + "5-Methoxypsoralen", + "Bergapten", + "O-Methylbergaptol" + ] + }, + { + "compound_id": "C01558", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,20-,22?,23?,24?/m0/s1", + "name": "Bile salt", + "names": [ + "Bile acid", + "Bile salt" + ] + }, + { + "compound_id": "C01559", + "inchi": null, + "name": "Butirosin", + "names": [ + "Butirosin" + ] + }, + { + "compound_id": "C01561", + "inchi": "InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1", + "name": "Calcidiol", + "names": [ + "25-Hydroxyvitamin D3", + "Calcidiol", + "Calcifediol", + "Calcifediol anhydrous" + ] + }, + { + "compound_id": "C01562", + "inchi": "InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3", + "name": "Calycosin", + "names": [ + "Calycosin" + ] + }, + { + "compound_id": "C01563", + "inchi": "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)", + "name": "Carbamate", + "names": [ + "Aminoformic acid", + "Ammonium carbamate", + "Carbamate", + "Carbamic acid", + "ammonium carbamate" + ] + }, + { + "compound_id": "C01564", + "inchi": "InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-", + "name": "Cetraxate", + "names": [ + "Cetraxate" + ] + }, + { + "compound_id": "C01566", + "inchi": "InChI=1S/CH2N2/c2-1-3/h2H2", + "name": "Cyanamide", + "names": [ + "Carbodiimide", + "Cyanamide" + ] + }, + { + "compound_id": "C01567", + "inchi": "InChI=1S/C17H23N7O5/c1-23-6-4-9(20-16(23)19)8-12(25)21-10-2-3-13(29-14(10)15(26)27)24-7-5-11(18)22-17(24)28/h2-3,5,7,9-10,13-14H,4,6,8H2,1H3,(H2,19,20)(H,21,25)(H,26,27)(H2,18,22,28)", + "name": "Cytomycin", + "names": [ + "Cytomycin" + ] + }, + { + "compound_id": "C01569", + "inchi": "InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2/t4-/m0/s1", + "name": "D-Apiitol", + "names": [ + "3-(Hydroxymethyl)erythritol", + "D-Apiitol" + ] + }, + { + "compound_id": "C01570", + "inchi": "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1", + "name": "D-Leucine", + "names": [ + "D-2-Amino-4-methylvaleric acid", + "D-Leucine" + ] + }, + { + "compound_id": "C01571", + "inchi": "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)", + "name": "Decanoic acid", + "names": [ + "1-decanoic acid", + "Decanoate", + "Decanoic acid", + "Decylic acid", + "n-Capric acid", + "n-Decanoic acid", + "n-decanoic acid" + ] + }, + { + "compound_id": "C01572", + "inchi": "InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)", + "name": "Digallate", + "names": [ + "Digallate", + "Digallic acid" + ] + }, + { + "compound_id": "C01573", + "inchi": null, + "name": "Peptide diphthine", + "names": [ + "Diphthine", + "EF-2 diphthine", + "Elongation factor 2 diphthine", + "Peptide diphthine" + ] + }, + { + "compound_id": "C01574", + "inchi": null, + "name": "Dynorphin", + "names": [ + "Dynorphin", + "Dynorphin A" + ] + }, + { + "compound_id": "C01575", + "inchi": "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1", + "name": "Ephedrine", + "names": [ + "(-)-Ephedrine", + "Ephedrine", + "L-Ephedrine" + ] + }, + { + "compound_id": "C01576", + "inchi": "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26?,27-,29?/m1/s1", + "name": "Etoposide", + "names": [ + "Etoposide", + "VP-16" + ] + }, + { + "compound_id": "C01579", + "inchi": null, + "name": "Flavonoid", + "names": [ + "Flavonoid" + ] + }, + { + "compound_id": "C01581", + "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4?,5-,7?,8-,9?,10-,11?,14-,15-/m1/s1", + "name": "GDPhexose", + "names": [ + "GDPhexose" + ] + }, + { + "compound_id": "C01582", + "inchi": "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1", + "name": "Galactose", + "names": [ + "Galactose" + ] + }, + { + "compound_id": "C01585", + "inchi": "InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)", + "name": "Hexanoic acid", + "names": [ + "Hexanoate", + "Hexanoic acid", + "Hexylic acid", + "n-Caproic acid" + ] + }, + { + "compound_id": "C01586", + "inchi": "InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)", + "name": "Hippurate", + "names": [ + "Benzoylaminoacetic acid", + "Hippurate", + "Hippuric acid", + "N-Benzoylglycine" + ] + }, + { + "compound_id": "C01588", + "inchi": "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)", + "name": "Ibuprofen", + "names": [ + "Ibuprofen" + ] + }, + { + "compound_id": "C01589", + "inchi": "InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)", + "name": "Imidazole", + "names": [ + "1,3-Diazole", + "Glyoxaline", + "Imidazole" + ] + }, + { + "compound_id": "C01590", + "inchi": "InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3", + "name": "Kievitone", + "names": [ + "Kievitone" + ] + }, + { + "compound_id": "C01591", + "inchi": "InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15?,16-,17-/m0/s1", + "name": "Leupeptin", + "names": [ + "Leupeptin" + ] + }, + { + "compound_id": "C01592", + "inchi": "InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,16-17,19H,8H2", + "name": "Licodione", + "names": [ + "Licodione" + ] + }, + { + "compound_id": "C01593", + "inchi": "InChI=1S/C26H34O10/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(35-22)10-18(29)30)5-7-23(3,19(31)13-6-8-34-11-13)26(24)20(36-26)21(32)33/h6,8,11,14-15,17,19-20,27,31H,5,7,9-10,12H2,1-4H3,(H,29,30)(H,32,33)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", + "name": "Limonoate", + "names": [ + "Limonoate" + ] + }, + { + "compound_id": "C01594", + "inchi": "InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1", + "name": "Linamarin", + "names": [ + "Linamarin", + "Phaseolunatin" + ] + }, + { + "compound_id": "C01595", + "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-", + "name": "Linoleate", + "names": [ + "(9Z,12Z)-Octadecadienoic acid", + "9-cis,12-cis-Octadecadienoate", + "9-cis,12-cis-Octadecadienoic acid", + "Linoleate", + "Linoleic acid" + ] + }, + { + "compound_id": "C01596", + "inchi": "InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-", + "name": "Maleamate", + "names": [ + "Maleamate", + "Maleamic acid" + ] + }, + { + "compound_id": "C01598", + "inchi": "InChI=1S/C13H16N2O2/c1-9(16)14-6-5-11-7-10-8-12(17-2)3-4-13(10)15-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)", + "name": "Melatonin", + "names": [ + "Melatonin", + "N-Acetyl-5-methoxytryptamine" + ] + }, + { + "compound_id": "C01599", + "inchi": null, + "name": "NDP-aldose", + "names": [ + "NDP-aldose" + ] + }, + { + "compound_id": "C01600", + "inchi": null, + "name": "NDP-hexose", + "names": [ + "NDP-hexose" + ] + }, + { + "compound_id": "C01601", + "inchi": "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)", + "name": "Nonanoic acid", + "names": [ + "Nonanoate", + "Nonanoic acid", + "Pelargonic acid" + ] + }, + { + "compound_id": "C01602", + "inchi": "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)", + "name": "Ornithine", + "names": [ + "2,5-Diaminopentanoate", + "2,5-Diaminopentanoic acid", + "2,5-Diaminovaleric acid", + "Ornithine" + ] + }, + { + "compound_id": "C01604", + "inchi": "InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1", + "name": "Phlorizin", + "names": [ + "Phlorhizin", + "Phloridzin", + "Phlorizin" + ] + }, + { + "compound_id": "C01606", + "inchi": "InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)", + "name": "Phthalate", + "names": [ + "1,2-Benzenedicarboxylic acid", + "Phthalate", + "o-Phthalic acid" + ] + }, + { + "compound_id": "C01607", + "inchi": "InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)", + "name": "Phytanate", + "names": [ + "3,7,11,15-Tetramethylhexadecanoic acid", + "Phytanate", + "Phytanic acid" + ] + }, + { + "compound_id": "C01608", + "inchi": "InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)", + "name": "Piroxicam", + "names": [ + "Piroxicam" + ] + }, + { + "compound_id": "C01609", + "inchi": null, + "name": "Protamine", + "names": [ + "Protamine" + ] + }, + { + "compound_id": "C01610", + "inchi": "InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1", + "name": "Puromycin", + "names": [ + "Puromycin" + ] + }, + { + "compound_id": "C01612", + "inchi": null, + "name": "Secondary alcohol", + "names": [ + "R-CHOH-R'", + "Secondary alcohol" + ] + }, + { + "compound_id": "C01613", + "inchi": "InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1", + "name": "Stachyose", + "names": [ + "Stachyose" + ] + }, + { + "compound_id": "C01614", + "inchi": null, + "name": "Sulfamate", + "names": [ + "Amidosulfuric acid", + "Aminosulfonic acid", + "Sulfamate", + "Sulfamic acid", + "Sulfamidic acid" + ] + }, + { + "compound_id": "C01615", + "inchi": null, + "name": "Sulfinate", + "names": [ + "Sulfinate", + "Sulfinic acid" + ] + }, + { + "compound_id": "C01616", + "inchi": "InChI=1S/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)/t4-/m1/s1", + "name": "Tauropine", + "names": [ + "N2-(D-1-Carboxyethyl)taurine", + "Tauropine" + ] + }, + { + "compound_id": "C01617", + "inchi": "InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1", + "name": "Taxifolin", + "names": [ + "(+)-Dihydroquercetin", + "(+)-Taxifolin", + "Dihydroquercetin", + "Taxifolin", + "trans-Dihydroquercetin" + ] + }, + { + "compound_id": "C01618", + "inchi": "InChI=1S/C19H28O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h11,14-16,23H,3-10H2,1-2H3,(H,21,22)/t14-,15+,16+,18+,19+/m1/s1", + "name": "Testolate", + "names": [ + "Testolate" + ] + }, + { + "compound_id": "C01619", + "inchi": "InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)", + "name": "Thiorphan", + "names": [ + "Thiorphan" + ] + }, + { + "compound_id": "C01620", + "inchi": "InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1", + "name": "Threonate", + "names": [ + "(2R,3S)-2,3,4-trihydroxy-Butanoic acid", + "L-Threonate", + "Threonate" + ] + }, + { + "compound_id": "C01621", + "inchi": "InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)", + "name": "Tolrestat", + "names": [ + "Tolrestat" + ] + }, + { + "compound_id": "C01623", + "inchi": "InChI=1S/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)11(30-6)16-2-1-7(18)15-13(16)22/h1-2,6,8-12,17,19-21,23H,3-5H2,(H,24,25)(H,26,27)(H,15,18,22)/t6-,8-,9-,10+,11-,12-,14-/m1/s1", + "name": "UDP-apiose", + "names": [ + "UDP-D-apiose", + "UDP-apiose" + ] + }, + { + "compound_id": "C01624", + "inchi": "InChI=1S/C10H10O3/c11-7-4-6-2-1-3-8(12)10(6)9(13)5-7/h1-3,7,11-12H,4-5H2", + "name": "Vermelone", + "names": [ + "3,4-Dihydro-3,8-dihydroxy-1(2H)-naphthalenone", + "Vermelone" + ] + }, + { + "compound_id": "C01625", + "inchi": "InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4+,5-,6+,7-,8+,9+,10?,11-/m0/s1", + "name": "Vicianose", + "names": [ + "O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose", + "Vicianose" + ] + }, + { + "compound_id": "C01626", + "inchi": "InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1", + "name": "Vindoline", + "names": [ + "Vindoline" + ] + }, + { + "compound_id": "C01628", + "inchi": null, + "name": "Vitamin K", + "names": [ + "Vitamin K" + ] + }, + { + "compound_id": "C01629", + "inchi": null, + "name": "Wax ester", + "names": [ + "Wax ester" + ] + }, + { + "compound_id": "C01630", + "inchi": "InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4?,5+,6+,7-,8-,9?,10?/m1/s1", + "name": "Xylobiose", + "names": [ + "Xylobiose" + ] + }, + { + "compound_id": "C01632", + "inchi": "InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1", + "name": "N-Carbobenzoxyglycylproline", + "names": [ + "N-Carbobenzoxyglycylproline", + "Z-Gly-Pro", + "Z-Gly-Pro-OH" + ] + }, + { + "compound_id": "C01633", + "inchi": "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3", + "name": "1-Decanol", + "names": [ + "1-Decanol", + "Decyl alcohol", + "n-Decanol" + ] + }, + { + "compound_id": "C01635", + "inchi": null, + "name": "tRNA(Ala)", + "names": [ + "tRNA(Ala)" + ] + }, + { + "compound_id": "C01636", + "inchi": null, + "name": "tRNA(Arg)", + "names": [ + "tRNA(Arg)", + "tRNA-arg", + "trna-arg" + ] + }, + { + "compound_id": "C01637", + "inchi": null, + "name": "tRNA(Asn)", + "names": [ + "tRNA(Asn)" + ] + }, + { + "compound_id": "C01638", + "inchi": null, + "name": "tRNA(Asp)", + "names": [ + "tRNA(Asp)" + ] + }, + { + "compound_id": "C01639", + "inchi": null, + "name": "tRNA(Cys)", + "names": [ + "tRNA(Cys)" + ] + }, + { + "compound_id": "C01640", + "inchi": null, + "name": "tRNA(Gln)", + "names": [ + "tRNA(Gln)" + ] + }, + { + "compound_id": "C01641", + "inchi": null, + "name": "tRNA(Glu)", + "names": [ + "tRNA(Glu)" + ] + }, + { + "compound_id": "C01642", + "inchi": null, + "name": "tRNA(Gly)", + "names": [ + "tRNA(Gly)" + ] + }, + { + "compound_id": "C01643", + "inchi": null, + "name": "tRNA(His)", + "names": [ + "tRNA(His)", + "tRNA-his", + "trna-his" + ] + }, + { + "compound_id": "C01644", + "inchi": null, + "name": "tRNA(Ile)", + "names": [ + "tRNA(Ile)", + "tRNA-ile", + "trna-ile" + ] + }, + { + "compound_id": "C01645", + "inchi": null, + "name": "tRNA(Leu)", + "names": [ + "tRNA(Leu)" + ] + }, + { + "compound_id": "C01646", + "inchi": null, + "name": "tRNA(Lys)", + "names": [ + "tRNA(Lys)", + "tRNA-lys", + "trna-lys" + ] + }, + { + "compound_id": "C01647", + "inchi": null, + "name": "tRNA(Met)", + "names": [ + "tRNA(Met)" + ] + }, + { + "compound_id": "C01648", + "inchi": null, + "name": "tRNA(Phe)", + "names": [ + "tRNA(Phe)", + "tRNA-phe", + "trna-phe" + ] + }, + { + "compound_id": "C01649", + "inchi": null, + "name": "tRNA(Pro)", + "names": [ + "tRNA(Pro)" + ] + }, + { + "compound_id": "C01650", + "inchi": null, + "name": "tRNA(Ser)", + "names": [ + "tRNA(Ser)", + "tRNA-ser", + "trna-ser" + ] + }, + { + "compound_id": "C01651", + "inchi": null, + "name": "tRNA(Thr)", + "names": [ + "tRNA(Thr)", + "tRNA-thr", + "trna-thr" + ] + }, + { + "compound_id": "C01652", + "inchi": null, + "name": "tRNA(Trp)", + "names": [ + "tRNA(Trp)" + ] + }, + { + "compound_id": "C01653", + "inchi": null, + "name": "tRNA(Val)", + "names": [ + "tRNA(Val)", + "tRNA-val", + "trna-val" + ] + }, + { + "compound_id": "C01654", + "inchi": null, + "name": "1,6-Mannan", + "names": [ + "1,6-Mannan" + ] + }, + { + "compound_id": "C01655", + "inchi": "InChI=1S/C10H15N6O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1", + "name": "2-AminoAMP", + "names": [ + "2-AminoAMP" + ] + }, + { + "compound_id": "C01656", + "inchi": null, + "name": "3-Oxo acid", + "names": [ + "3-Keto acid", + "3-Oxo acid" + ] + }, + { + "compound_id": "C01657", + "inchi": "InChI=1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1", + "name": "Ac-Tyr-OEt", + "names": [ + "Ac-Tyr-OEt", + "Ethyl N-alpha-acetyl-tyrosinate", + "N-Acetyl-L-tyrosine ethyl ester" + ] + }, + { + "compound_id": "C01658", + "inchi": null, + "name": "Acid amide", + "names": [ + "Acid amide" + ] + }, + { + "compound_id": "C01659", + "inchi": "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)", + "name": "Acrylamide", + "names": [ + "2-Propenamide", + "Acrylamide" + ] + }, + { + "compound_id": "C01661", + "inchi": "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1", + "name": "Doxorubicin", + "names": [ + "Adriamycin", + "Doxorubicin" + ] + }, + { + "compound_id": "C01663", + "inchi": null, + "name": "Alkylamide", + "names": [ + "Alkylamide" + ] + }, + { + "compound_id": "C01664", + "inchi": null, + "name": "Alkylamine", + "names": [ + "Alkylamine" + ] + }, + { + "compound_id": "C01667", + "inchi": null, + "name": "Bacitracin", + "names": [ + "Bacitracin" + ] + }, + { + "compound_id": "C01670", + "inchi": "InChI=1S/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18)/t12-/m1/s1", + "name": "Bz-Arg-OEt", + "names": [ + "Bz-Arg-OEt" + ] + }, + { + "compound_id": "C01672", + "inchi": "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2", + "name": "Cadaverine", + "names": [ + "1,5-Diaminopentane", + "1,5-Pentanediamine", + "Cadaverine", + "Pentamethylenediamine" + ] + }, + { + "compound_id": "C01673", + "inchi": "InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1", + "name": "Calcitriol", + "names": [ + "1-alpha-25-Dihydroxyvitamin D3", + "Calcitriol" + ] + }, + { + "compound_id": "C01674", + "inchi": "InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14?,15?,16?/m1/s1", + "name": "Chitobiose", + "names": [ + "Chitobiose", + "Diacetylchitobiose", + "N,N'-Diacetylchitobiose" + ] + }, + { + "compound_id": "C01675", + "inchi": "InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1", + "name": "Cilastatin", + "names": [ + "Cilastatin" + ] + }, + { + "compound_id": "C01677", + "inchi": "InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1", + "name": "Coformycin", + "names": [ + "Coformycin" + ] + }, + { + "compound_id": "C01678", + "inchi": "InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2", + "name": "Cysteamine", + "names": [ + "2-Aminoethanethiol", + "Cysteamine", + "Mercaptamine", + "Thioethanolamine", + "beta-Aminoethanethiol", + "beta-Mercaptoethylamine" + ] + }, + { + "compound_id": "C01680", + "inchi": "InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m1/s1", + "name": "D-Fuconate", + "names": [ + "D-Fuconate" + ] + }, + { + "compound_id": "C01682", + "inchi": "InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1", + "name": "Nopaline", + "names": [ + "D-Nopaline", + "N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid", + "N2-(D-1,3-Dicarboxypropyl)-L-arginine", + "Nopaline" + ] + }, + { + "compound_id": "C01683", + "inchi": "InChI=1S/C10H18N2O6/c11-5-1-2-6(9(15)16)12-7(10(17)18)3-4-8(13)14/h6-7,12H,1-5,11H2,(H,13,14)(H,15,16)(H,17,18)", + "name": "Ornaline", + "names": [ + "Nopalinic acid", + "Ornaline" + ] + }, + { + "compound_id": "C01684", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m1/s1", + "name": "D-Rhamnose", + "names": [ + "6-Deoxy-D-mannose", + "D-Mannomethylose", + "D-Rhamnose" + ] + }, + { + "compound_id": "C01685", + "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1", + "name": "D-Ribonate", + "names": [ + "D-Ribonate", + "D-Ribonic acid" + ] + }, + { + "compound_id": "C01687", + "inchi": "InChI=1S/C39H65NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h12-13,15-16,21-26,28-29,31-39,43,45-47H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23-,24-,25+,26-,28-,29-,31+,32-,33-,34-,35?,36-,37-,38?,39-/m1/s1", + "name": "Tylosin B", + "names": [ + "Desmycosin", + "Tylosin B" + ] + }, + { + "compound_id": "C01688", + "inchi": "InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6-,7+,8+,9+,10-,11-,12+,13-,14+,15-,16-,17-,18+,19-,20?/m0/s1", + "name": "Destomysin", + "names": [ + "Destomycin A", + "Destomysin" + ] + }, + { + "compound_id": "C01690", + "inchi": "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)", + "name": "Diclofenac", + "names": [ + "Diclofenac" + ] + }, + { + "compound_id": "C01691", + "inchi": "InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)", + "name": "Diflunisal", + "names": [ + "Diflunisal" + ] + }, + { + "compound_id": "C01692", + "inchi": "InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3", + "name": "Disulfiram", + "names": [ + "Disulfiram", + "Tetraethylthiuram disulfide" + ] + }, + { + "compound_id": "C01693", + "inchi": "InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/t6-/m0/s1", + "name": "L-Dopachrome", + "names": [ + "2-L-Carboxy-2,3-dihydroindole-5,6-quinone", + "L-Dopachrome" + ] + }, + { + "compound_id": "C01694", + "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1", + "name": "Ergosterol", + "names": [ + "Ergosterol", + "Provitamin D2" + ] + }, + { + "compound_id": "C01695", + "inchi": null, + "name": "Ferredoxin", + "names": [ + "Ferredoxin" + ] + }, + { + "compound_id": "C01697", + "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-", + "name": "Galactitol", + "names": [ + "Dulcitol", + "Dulcose", + "Galactitol" + ] + }, + { + "compound_id": "C01698", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)10(24)12(26)17(32-4)30-3-6-9(23)15(14(28)16(29)31-6)34-18-13(27)11(25)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16-,17-,18+/m1/s1", + "name": "Galactogen", + "names": [ + "Galactogen" + ] + }, + { + "compound_id": "C01699", + "inchi": "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1", + "name": "Gibberellin A3", + "names": [ + "Gibberellic acid", + "Gibberellin", + "Gibberellin A3" + ] + }, + { + "compound_id": "C01700", + "inchi": "InChI=1S/C32H57N5O9/c1-9-11-12-13-14-24-20(6)32(45)37(8)23(15-18(3)4)29(42)35-26(19(5)10-2)31(44)34-22(17-38)28(41)36-27(21(7)39)30(43)33-16-25(40)46-24/h18-24,26-27,38-39H,9-17H2,1-8H3,(H,33,43)(H,34,44)(H,35,42)(H,36,41)", + "name": "Globomycin", + "names": [ + "Globomycin" + ] + }, + { + "compound_id": "C01701", + "inchi": "InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1", + "name": "(-)-Glyceollin I", + "names": [ + "(-)-Glyceollin I", + "Glyceollin" + ] + }, + { + "compound_id": "C01702", + "inchi": null, + "name": "Glycogenin", + "names": [ + "Glycogenin" + ] + }, + { + "compound_id": "C01705", + "inchi": "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)", + "name": "Glyphosate", + "names": [ + "Glyphosate" + ] + }, + { + "compound_id": "C01706", + "inchi": null, + "name": "Haloalkene", + "names": [ + "Haloalkene" + ] + }, + { + "compound_id": "C01707", + "inchi": null, + "name": "Hemiacetal", + "names": [ + "Hemiacetal" + ] + }, + { + "compound_id": "C01708", + "inchi": null, + "name": "Hemoglobin", + "names": [ + "Hemoglobin" + ] + }, + { + "compound_id": "C01709", + "inchi": "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1", + "name": "Hesperetin", + "names": [ + "3',5,7-Trihydroxy-4'-methoxyflavanone", + "Hesperetin" + ] + }, + { + "compound_id": "C01710", + "inchi": "InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2", + "name": "Indan-1-ol", + "names": [ + "Indan-1-ol" + ] + }, + { + "compound_id": "C01711", + "inchi": "InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11?,12-/m1/s1", + "name": "Inulobiose", + "names": [ + "1-O-beta-D-Fructo-furanosyl-D-fructose", + "Inulobiose" + ] + }, + { + "compound_id": "C01712", + "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+", + "name": "(9E)-Octadecenoic acid", + "names": [ + "(9E)-Octadecenoic acid", + "(E)-Oleic acid", + "9-Octadecenoic acid, (E)-", + "9-trans-Octadecenoic acid", + "Acide elaidique", + "D9-trans-Octadecenoic acid", + "Elaidic acid", + "Elaidinsaure", + "trans-9-Octadecenoic acid", + "trans-D9-Octadecenoic acid", + "trans-Elaidic acid", + "trans-Oleic acid" + ] + }, + { + "compound_id": "C01714", + "inchi": "InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1", + "name": "Isovitexin", + "names": [ + "6-C-Glucosylapigenin", + "Apigenin 6-C-glucoside", + "Apigenin-6-C-glucoside", + "Isovitexin", + "Saponaretin" + ] + }, + { + "compound_id": "C01715", + "inchi": null, + "name": "Kallikrein", + "names": [ + "Kallikrein", + "Kininogenase", + "Kininogenin" + ] + }, + { + "compound_id": "C01716", + "inchi": "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)", + "name": "Ketoprofen", + "names": [ + "Ketoprofen" + ] + }, + { + "compound_id": "C01717", + "inchi": "InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)", + "name": "4-Hydroxy-2-quinolinecarboxylic acid", + "names": [ + "4-Hydroxy-2-quinolinecarboxylic acid", + "Kynurenate", + "Kynurenic acid" + ] + }, + { + "compound_id": "C01718", + "inchi": "InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)", + "name": "Kynurenine", + "names": [ + "3-Anthraniloylalanine", + "Kynurenine" + ] + }, + { + "compound_id": "C01719", + "inchi": "InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m0/s1", + "name": "L-Fructose", + "names": [ + "L-Fructose", + "L-arabino-Hexulose" + ] + }, + { + "compound_id": "C01720", + "inchi": "InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1", + "name": "L-Fuconate", + "names": [ + "L-Fuconate" + ] + }, + { + "compound_id": "C01721", + "inchi": "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1", + "name": "L-Fuculose", + "names": [ + "6-Deoxy-L-tagatose", + "L-Fuculose" + ] + }, + { + "compound_id": "C01722", + "inchi": "InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1", + "name": "L-Glucitol", + "names": [ + "D-Gulitol", + "L-Glucitol", + "L-Sorbitol" + ] + }, + { + "compound_id": "C01723", + "inchi": null, + "name": "Lactenocin", + "names": [ + "Demycarosylmacrocin", + "Lactenocin" + ] + }, + { + "compound_id": "C01724", + "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1", + "name": "Lanosterol", + "names": [ + "4,4',14alpha-Trimethyl-5alpha-cholesta-8,24-dien-3beta-ol", + "Lanosterol" + ] + }, + { + "compound_id": "C01725", + "inchi": "InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1", + "name": "Levanbiose", + "names": [ + "Levanbiose" + ] + }, + { + "compound_id": "C01726", + "inchi": "InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m1/s1", + "name": "D-Lombricine", + "names": [ + "D-Lombricine" + ] + }, + { + "compound_id": "C01727", + "inchi": "InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)", + "name": "Lumichrome", + "names": [ + "7,8-Dimethylalloxazine", + "Lumichrome" + ] + }, + { + "compound_id": "C01728", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12+/m1/s1", + "name": "Mannobiose", + "names": [ + "Mannobiose" + ] + }, + { + "compound_id": "C01729", + "inchi": "InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m1/s1", + "name": "(+)-Medicarpin", + "names": [ + "(+)-Medicarpin", + "3-Hydroxy-9-methoxypterocarpan" + ] + }, + { + "compound_id": "C01731", + "inchi": null, + "name": "Mercury mercaptide", + "names": [ + "Mercury mercaptide" + ] + }, + { + "compound_id": "C01732", + "inchi": "InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+", + "name": "Mesaconate", + "names": [ + "(E)-2-Methyl-2-butenedioic acid", + "2-Methylfumarate", + "Mesaconate", + "Mesaconic acid", + "Methylfumaric acid" + ] + }, + { + "compound_id": "C01733", + "inchi": "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)", + "name": "Methionine", + "names": [ + "2-Amino-4-(methylthio)butyric acid", + "Methionine" + ] + }, + { + "compound_id": "C01735", + "inchi": "InChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1", + "name": "Morphinone", + "names": [ + "Morphinone" + ] + }, + { + "compound_id": "C01736", + "inchi": "InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1", + "name": "Nebularine", + "names": [ + "N-D-Ribosylpurine", + "Nebularine", + "Purine riboside" + ] + }, + { + "compound_id": "C01737", + "inchi": "InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", + "name": "Neomycin B", + "names": [ + "Fradiomycin B", + "Framycetin", + "Neomycin B" + ] + }, + { + "compound_id": "C01739", + "inchi": "InChI=1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)/b21-15-/t14-,16+/m0/s1", + "name": "Nocardicin E", + "names": [ + "Nocardicin E" + ] + }, + { + "compound_id": "C01740", + "inchi": "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3", + "name": "Octylamine", + "names": [ + "Monoctylamine", + "N-Octylamine", + "Octylamine" + ] + }, + { + "compound_id": "C01742", + "inchi": "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1", + "name": "Palatinose", + "names": [ + "6-O-alpha-D-Glucopyranosyl-D-fructofuranose", + "Isomaltulose", + "Palatinose" + ] + }, + { + "compound_id": "C01743", + "inchi": "InChI=1S/C12H25N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1", + "name": "Paromamine", + "names": [ + "Neomycin D", + "Paromamine" + ] + }, + { + "compound_id": "C01744", + "inchi": "InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)", + "name": "Phloretate", + "names": [ + "3-(4-Hydroxyphenyl)propionic acid", + "Phloretate", + "Phloretic acid" + ] + }, + { + "compound_id": "C01745", + "inchi": "InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+", + "name": "Pinosylvin", + "names": [ + "3,5-Stilbenediol", + "Pinosylvin" + ] + }, + { + "compound_id": "C01746", + "inchi": "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2", + "name": "Piperidine", + "names": [ + "Azacyclohexane", + "Hexahydropyridine", + "Piperidine" + ] + }, + { + "compound_id": "C01747", + "inchi": "InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1", + "name": "Psychosine", + "names": [ + "Galactosylsphingosine", + "O-Galactosylsphingosine", + "Psychosine" + ] + }, + { + "compound_id": "C01748", + "inchi": "InChI=1S/C13H12N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8,14,16H,1H3", + "name": "Pyocyanine", + "names": [ + "Pyocyanine", + "Reduced pyocyanine" + ] + }, + { + "compound_id": "C01750", + "inchi": "InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1", + "name": "Quercitrin", + "names": [ + "Quercetin 3-L-rhamnoside", + "Quercetin 3-O-alpha-L-rhamnopyranoside", + "Quercitrin" + ] + }, + { + "compound_id": "C01751", + "inchi": "InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H", + "name": "Resorcinol", + "names": [ + "1,3-Benzenediol", + "1,3-Dihydroxybenzene", + "Resorcin", + "Resorcinol", + "m-Hydroquinone" + ] + }, + { + "compound_id": "C01752", + "inchi": "InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3", + "name": "Scopoletin", + "names": [ + "Scopoletin" + ] + }, + { + "compound_id": "C01753", + "inchi": "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "beta-Sitosterol", + "names": [ + "Sitosterol", + "beta-Sitosterol" + ] + }, + { + "compound_id": "C01754", + "inchi": null, + "name": "Spiramycin", + "names": [ + "Spiramycin" + ] + }, + { + "compound_id": "C01755", + "inchi": "InChI=1S/CHNS/c2-1-3/h3H", + "name": "Thiocyanate", + "names": [ + "Thiocyanate", + "Thiocyanic acid" + ] + }, + { + "compound_id": "C01756", + "inchi": "InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)", + "name": "Thiopurine", + "names": [ + "Thiopurine" + ] + }, + { + "compound_id": "C01757", + "inchi": "InChI=1S/C6H8O4/c1-4(7)2-5(8)3-6(9)10/h2-3H2,1H3,(H,9,10)", + "name": "Triacetate", + "names": [ + "3,5-Dioxo-hexanoic acid", + "Triacetate" + ] + }, + { + "compound_id": "C01759", + "inchi": "InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1", + "name": "Ribostamycin", + "names": [ + "Ribostamycin", + "Vistamycin" + ] + }, + { + "compound_id": "C01760", + "inchi": "InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1", + "name": "(6S,9R)-Vomifoliol", + "names": [ + "(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol", + "(6S,9R)-Vomifoliol" + ] + }, + { + "compound_id": "C01761", + "inchi": "InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12?,15-,16-,17-,19+,20+,21+/m0/s1", + "name": "Vomilenine", + "names": [ + "Vomilenine" + ] + }, + { + "compound_id": "C01762", + "inchi": "InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1", + "name": "Xanthosine", + "names": [ + "Xanthosine" + ] + }, + { + "compound_id": "C01764", + "inchi": null, + "name": "tRNA containing uridine at position 54", + "names": [ + "tRNA UpsiC", + "tRNA containing uridine at position 54" + ] + }, + { + "compound_id": "C01765", + "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m0/s1", + "name": "(+)-Borneol", + "names": [ + "(+)-Borneol", + "(1R,2S,4R)-(+)-Borneol", + "Borneocamphor", + "Sumatra camphor", + "d-Borneol", + "endo-2-Bornanol" + ] + }, + { + "compound_id": "C01766", + "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m1/s1", + "name": "(-)-Borneol", + "names": [ + "(-)-Borneol", + "(1S,2R,4S)-(-)-Borneol", + "L-Borneol", + "Linderol" + ] + }, + { + "compound_id": "C01767", + "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1", + "name": "(-)-Carvone", + "names": [ + "(-)-Carvone", + "(4R)-Carvone" + ] + }, + { + "compound_id": "C01768", + "inchi": null, + "name": "(Alginate)n", + "names": [ + "(Alginate)n", + "(Alginate)n+1", + "Alginate", + "Alginic acid" + ] + }, + { + "compound_id": "C01769", + "inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3", + "name": "(S)-Acetoin", + "names": [ + "(S)-2-Acetoin", + "(S)-Acetoin" + ] + }, + { + "compound_id": "C01770", + "inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2", + "name": "gamma-Butyrolactone", + "names": [ + "1,4-Lactone", + "gamma-Butyrolactone" + ] + }, + { + "compound_id": "C01771", + "inchi": "InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+", + "name": "2-Butenoate", + "names": [ + "2-Butenoate", + "2-Butenoic acid", + "Crotonic acid" + ] + }, + { + "compound_id": "C01772", + "inchi": "InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+", + "name": "trans-2-Hydroxycinnamate", + "names": [ + "2-Coumarate", + "2-Coumaric acid", + "2-Hydroxycinnamate", + "o-Coumaric acid", + "trans-2-Hydroxycinnamate", + "trans-2-Hydroxycinnamic acid" + ] + }, + { + "compound_id": "C01775", + "inchi": null, + "name": "Actinomycin", + "names": [ + "Actinomycin" + ] + }, + { + "compound_id": "C01776", + "inchi": "InChI=1S/C51H82N8O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-32-23-35(64)47(72)57-49(74)41-42(67)27(2)25-59(41)51(76)39(34(63)24-36(52)65)55-48(73)40(44(69)43(68)29-18-20-30(61)21-19-29)56-46(71)33-22-31(62)26-58(33)50(75)38(28(3)60)54-45(32)70/h18-21,27-28,31-35,38-44,47,60-64,67-69,72H,4-17,22-26H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t27-,28+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1", + "name": "Aculeacin A", + "names": [ + "Aculeacin A" + ] + }, + { + "compound_id": "C01777", + "inchi": null, + "name": "Acylcholine", + "names": [ + "Acylcholine" + ] + }, + { + "compound_id": "C01779", + "inchi": "InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)", + "name": "Albendazole", + "names": [ + "Albendazole" + ] + }, + { + "compound_id": "C01780", + "inchi": "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1", + "name": "Aldosterone", + "names": [ + "11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al", + "Aldosterone" + ] + }, + { + "compound_id": "C01782", + "inchi": "InChI=1S/C6H6O/c1-2-4-6-5(3-1)7-6/h1-6H", + "name": "Arene oxide", + "names": [ + "Arene oxide" + ] + }, + { + "compound_id": "C01783", + "inchi": "InChI=1S/C6H5.Hg/c1-2-4-6-5-3-1;/h1-5H;/q;+1", + "name": "Arylmercury", + "names": [ + "Arylmercury" + ] + }, + { + "compound_id": "C01784", + "inchi": "InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)", + "name": "Benzamidine", + "names": [ + "Benzamidine", + "Benzenecarboxamidine" + ] + }, + { + "compound_id": "C01785", + "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H", + "name": "Benzenediol", + "names": [ + "Benzenediol" + ] + }, + { + "compound_id": "C01788", + "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7-,8-,9-,11-,12-,13-,14-/m1/s1", + "name": "CDP-abequose", + "names": [ + "CDP-abequose" + ] + }, + { + "compound_id": "C01789", + "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1", + "name": "Campesterol", + "names": [ + "Campesterol" + ] + }, + { + "compound_id": "C01790", + "inchi": null, + "name": "Capreomycin", + "names": [ + "Capreomycin" + ] + }, + { + "compound_id": "C01792", + "inchi": "InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20", + "name": "Chlordecone", + "names": [ + "Chlordecone", + "Kepone" + ] + }, + { + "compound_id": "C01793", + "inchi": null, + "name": "Chlorophyll", + "names": [ + "Chlorophyll" + ] + }, + { + "compound_id": "C01794", + "inchi": "InChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t23?,24?,25-,26?,27+,28+,29-,30-,31+,34?,36-,37-,38?,42-,44?,45?/m1/s1", + "name": "Choloyl-CoA", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA", + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA", + "Choloyl-CoA" + ] + }, + { + "compound_id": "C01795", + "inchi": "InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1", + "name": "Columbamine", + "names": [ + "Columbamine" + ] + }, + { + "compound_id": "C01796", + "inchi": "InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1", + "name": "D-Erythrose", + "names": [ + "D-Erythrose" + ] + }, + { + "compound_id": "C01798", + "inchi": null, + "name": "D-Glucoside", + "names": [ + "D-Glucoside" + ] + }, + { + "compound_id": "C01799", + "inchi": "InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1", + "name": "D-Norvaline", + "names": [ + "D-2-Aminopentanoic acid", + "D-2-Aminovaleric acid", + "D-Norvaline" + ] + }, + { + "compound_id": "C01800", + "inchi": "InChI=1S/C11H7N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h1-5H,(H2,12,13,14,15,16)", + "name": "Deazaflavin", + "names": [ + "5-Deazaflavin", + "Deazaflavin" + ] + }, + { + "compound_id": "C01801", + "inchi": "InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1", + "name": "Deoxyribose", + "names": [ + "2-Deoxy-D-erythro-pentose", + "2-Deoxy-D-ribose", + "Deoxyribose", + "Thyminose" + ] + }, + { + "compound_id": "C01802", + "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Desmosterol", + "names": [ + "24-Dehydrocholesterol", + "Cholesta-5,24-dien-3beta-ol", + "Desmosterol" + ] + }, + { + "compound_id": "C01804", + "inchi": "InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)", + "name": "Discadenine", + "names": [ + "3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine", + "Discadenine" + ] + }, + { + "compound_id": "C01806", + "inchi": "InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", + "name": "GTP-gamma-S", + "names": [ + "GTP-gamma-S" + ] + }, + { + "compound_id": "C01810", + "inchi": "InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19?,20?,21-,22?,23+,24?/m1/s1", + "name": "Glucomannan", + "names": [ + "Glucomannan", + "Glucomannoglycan" + ] + }, + { + "compound_id": "C01812", + "inchi": null, + "name": "Haloacetate", + "names": [ + "Haloacetate" + ] + }, + { + "compound_id": "C01813", + "inchi": null, + "name": "Haloalcohol", + "names": [ + "Haloalcohol" + ] + }, + { + "compound_id": "C01814", + "inchi": "InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2", + "name": "Haloperidol", + "names": [ + "Haloperidol" + ] + }, + { + "compound_id": "C01816", + "inchi": "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3", + "name": "Heptadecane", + "names": [ + "Heptadecane" + ] + }, + { + "compound_id": "C01817", + "inchi": "InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)", + "name": "Homocystine", + "names": [ + "4,4'-Dithiobis(2-aminobutyric acid)", + "Homocystine" + ] + }, + { + "compound_id": "C01818", + "inchi": "InChI=1S/H2N2O2/c3-1-2-4/h(H,1,4)(H,2,3)", + "name": "Hyponitrite", + "names": [ + "Hyponitrite", + "Hyponitrous acid" + ] + }, + { + "compound_id": "C01819", + "inchi": "InChI=1S/C8H8N2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,9H2", + "name": "Indoleamine", + "names": [ + "Indolamine", + "Indoleamine" + ] + }, + { + "compound_id": "C01821", + "inchi": "InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1", + "name": "Isoorientin", + "names": [ + "Homoorientin", + "Isoorientin" + ] + }, + { + "compound_id": "C01822", + "inchi": "InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1", + "name": "Kanamycin A", + "names": [ + "Kanamycin A" + ] + }, + { + "compound_id": "C01823", + "inchi": "InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", + "name": "Kanamycin C", + "names": [ + "Kanamycin C" + ] + }, + { + "compound_id": "C01825", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m0/s1", + "name": "L-Galactose", + "names": [ + "L-Galactose" + ] + }, + { + "compound_id": "C01826", + "inchi": "InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1", + "name": "L-Norvaline", + "names": [ + "(S)-2-Aminopentanoic acid", + "L-2-Aminopentanoic acid", + "L-2-Aminovaleric acid", + "L-Norvaline" + ] + }, + { + "compound_id": "C01829", + "inchi": "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1", + "name": "O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine", + "names": [ + "3,5,3'5'-Tetraiodo-L-thyronine", + "L-Thyroxine", + "Levothyroxin", + "O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine", + "T4" + ] + }, + { + "compound_id": "C01832", + "inchi": "InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28?,32-/m1/s1", + "name": "Lauroyl-CoA", + "names": [ + "Dodecanoyl-CoA", + "Lauroyl coenzyme A", + "Lauroyl-CoA" + ] + }, + { + "compound_id": "C01833", + "inchi": "InChI=1S/C13H23N3O4/c1-8(2)6-9(14)12(18)15-7-11(17)16-5-3-4-10(16)13(19)20/h8-10H,3-7,14H2,1-2H3,(H,15,18)(H,19,20)/t9-,10-/m0/s1", + "name": "Leu-Gly-Pro", + "names": [ + "Leu-Gly-Pro" + ] + }, + { + "compound_id": "C01834", + "inchi": null, + "name": "Lipoprotein", + "names": [ + "Lipoprotein" + ] + }, + { + "compound_id": "C01835", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1", + "name": "Maltotriose", + "names": [ + "Amylotriose", + "Maltotriose" + ] + }, + { + "compound_id": "C01836", + "inchi": null, + "name": "Neurotensin", + "names": [ + "Neurotensin" + ] + }, + { + "compound_id": "C01837", + "inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3", + "name": "Nitroethane", + "names": [ + "Nitroethane" + ] + }, + { + "compound_id": "C01838", + "inchi": "InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3", + "name": "Octadecanal", + "names": [ + "Octadecanal" + ] + }, + { + "compound_id": "C01839", + "inchi": "InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)", + "name": "Orsellinate", + "names": [ + "2,4-Dihydroxy-6-methylbenzoate", + "2,4-Dihydroxy-6-methylbenzoic acid", + "4,6-Dihydroxy-o-toluic acid", + "Orsellinate", + "o-Orsellinic acid" + ] + }, + { + "compound_id": "C01841", + "inchi": "InChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15?/m1/s1", + "name": "Pentalenene", + "names": [ + "Pentalenene" + ] + }, + { + "compound_id": "C01842", + "inchi": "InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)", + "name": "Pentanamide", + "names": [ + "Pentanamide", + "Valeramide" + ] + }, + { + "compound_id": "C01843", + "inchi": "InChI=1S/C15H23N3O4/c19-13(10-4-1-7-16-10)17-8-2-5-11(17)14(20)18-9-3-6-12(18)15(21)22/h10-12,16H,1-9H2,(H,21,22)/t10-,11-,12-/m0/s1", + "name": "Polyproline", + "names": [ + "Polyproline" + ] + }, + { + "compound_id": "C01844", + "inchi": "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1", + "name": "Pravastatin", + "names": [ + "Pravastatin" + ] + }, + { + "compound_id": "C01845", + "inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3", + "name": "Propan-2-ol", + "names": [ + "2-Propanol", + "Isopropanol", + "Isopropyl alcohol", + "Propan-2-ol" + ] + }, + { + "compound_id": "C01847", + "inchi": "InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)", + "name": "Reduced FMN", + "names": [ + "FMNH2", + "Reduced FMN", + "fmn(reduced)" + ] + }, + { + "compound_id": "C01848", + "inchi": "InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1", + "name": "Rifamycin B", + "names": [ + "Rifamycin B" + ] + }, + { + "compound_id": "C01849", + "inchi": "InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1", + "name": "Rifamycin O", + "names": [ + "Rifamycin O" + ] + }, + { + "compound_id": "C01850", + "inchi": "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1", + "name": "Rosmarinate", + "names": [ + "Rosmarinate", + "Rosmarinic acid" + ] + }, + { + "compound_id": "C01851", + "inchi": "InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15?,16?/m1/s1", + "name": "Scopolamine", + "names": [ + "(-)-Hyoscine", + "Scopolamine" + ] + }, + { + "compound_id": "C01852", + "inchi": "InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1", + "name": "Secologanin", + "names": [ + "(-)-Secologanin", + "Secologanin" + ] + }, + { + "compound_id": "C01853", + "inchi": "InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)", + "name": "Stipitatate", + "names": [ + "3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid", + "Stipitatate", + "Stipitatic acid" + ] + }, + { + "compound_id": "C01854", + "inchi": "InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3-,4+,5-,6-", + "name": "Streptamine", + "names": [ + "Streptamine" + ] + }, + { + "compound_id": "C01855", + "inchi": "InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1", + "name": "Taxiphyllin", + "names": [ + "(R)-4-Hydroxymandelonitrile beta-D-glucoside", + "Taxiphyllin" + ] + }, + { + "compound_id": "C01857", + "inchi": "InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)", + "name": "Thioacetate", + "names": [ + "Thioacetate", + "Thioacetic acid" + ] + }, + { + "compound_id": "C01860", + "inchi": "InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m1/s1", + "name": "Trichodiene", + "names": [ + "Trichodiene" + ] + }, + { + "compound_id": "C01861", + "inchi": "InChI=1S/H2O6S3/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2", + "name": "Trithionate", + "names": [ + "(O3S.S.SO3)2-", + "Trithionate" + ] + }, + { + "compound_id": "C01863", + "inchi": "InChI=1S/C30H26O10/c1-7-13-21-19-17-15(25(13)33)11(31)5-30(36)24(17)20-18-16(26(34)14-8(2)38-10(4)28(40-30)22(14)20)12(32)6-29(35,23(18)19)39-27(21)9(3)37-7/h7-10,27-28,33-36H,5-6H2,1-4H3/t7-,8-,9-,10-,27-,28-,29+,30+/m1/s1", + "name": "Xanthoaphin", + "names": [ + "Xanthoaphin", + "Xanthoaphin fb" + ] + }, + { + "compound_id": "C01864", + "inchi": "InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3", + "name": "Xanthotoxin", + "names": [ + "8-Methoxyfuranocoumarin", + "8-Methoxypsoralen", + "Methoxsalen", + "O-Methylxanthotoxol", + "Xanthotoxin" + ] + }, + { + "compound_id": "C01865", + "inchi": "InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)", + "name": "Zopolrestat", + "names": [ + "Zopolrestat" + ] + }, + { + "compound_id": "C01866", + "inchi": null, + "name": "beta-Lactam", + "names": [ + "beta-Lactam" + ] + }, + { + "compound_id": "C01867", + "inchi": null, + "name": "tau-Protein", + "names": [ + "tau-Protein" + ] + }, + { + "compound_id": "C01868", + "inchi": "InChI=1S/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3/t8-,10+/m0/s1", + "name": "(+)-Sabinone", + "names": [ + "(+)-Sabinone" + ] + }, + { + "compound_id": "C01869", + "inchi": "InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1", + "name": "(-)-Sympatol", + "names": [ + "(-)-Sympatol", + "(-)-Synephrine" + ] + }, + { + "compound_id": "C01870", + "inchi": "InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11?,12+,13-,14+,15-,16+,17+,18-,19?/m0/s1", + "name": "(R)-Vicianin", + "names": [ + "(R)-Vicianin" + ] + }, + { + "compound_id": "C01871", + "inchi": "InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2", + "name": "1,4-Dithiane", + "names": [ + "1,4-Dithiane" + ] + }, + { + "compound_id": "C01872", + "inchi": null, + "name": "1-Haloalkane", + "names": [ + "1-Haloalkane" + ] + }, + { + "compound_id": "C01874", + "inchi": "InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H", + "name": "2-Iodophenol", + "names": [ + "2-Iodophenol" + ] + }, + { + "compound_id": "C01875", + "inchi": "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3", + "name": "2-Undecanone", + "names": [ + "2-Hendecanone", + "2-Undecanone", + "Methyl nonyl ketone", + "Undecan-2-one" + ] + }, + { + "compound_id": "C01876", + "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3", + "name": "3-Oxosteroid", + "names": [ + "3-Oxosteroid" + ] + }, + { + "compound_id": "C01877", + "inchi": "InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1", + "name": "4-Oxoproline", + "names": [ + "4-Oxo-L-proline", + "4-Oxoproline" + ] + }, + { + "compound_id": "C01879", + "inchi": "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1", + "name": "Pidolic acid", + "names": [ + "5-Oxo-L-proline", + "5-Oxoproline", + "5-Pyrrolidone-2-carboxylic acid", + "L-5-Pyrrolidone-2-carboxylic acid", + "L-Pyroglutamic acid", + "Pidolic acid", + "Pyroglutamate", + "Pyroglutamic acid" + ] + }, + { + "compound_id": "C01880", + "inchi": "InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2", + "name": "epsilon-Caprolactone", + "names": [ + "1-Oxa-2-oxocycloheptane", + "2-Oxepanone", + "6-Hexanolide", + "Hexano-6-lactone", + "epsilon-Caprolactone" + ] + }, + { + "compound_id": "C01881", + "inchi": "InChI=1S/C19H30O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-15,17H,3-12H2,1-2H3", + "name": "7-Oxosteroid", + "names": [ + "7-Oxosteroid" + ] + }, + { + "compound_id": "C01882", + "inchi": "InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(24)9(23)6(31-14)2-30-35(26,27)34-36(28,29)33-15-11(25)8(22)5(1-21)32-15/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", + "name": "ADP-D-ribose", + "names": [ + "ADP-D-ribose", + "adpribose" + ] + }, + { + "compound_id": "C01883", + "inchi": null, + "name": "Acetic ester", + "names": [ + "Acetic ester", + "Acetyl ester" + ] + }, + { + "compound_id": "C01884", + "inchi": null, + "name": "Acyldolichol", + "names": [ + "Acyldolichol" + ] + }, + { + "compound_id": "C01885", + "inchi": null, + "name": "1-Acylglycerol", + "names": [ + "1-Acylglycerol", + "1-Monoacylglycerol", + "Glyceride", + "Monoacylglycerol", + "Monoglyceride" + ] + }, + { + "compound_id": "C01887", + "inchi": null, + "name": "Alkylnitrile", + "names": [ + "Alkylnitrile" + ] + }, + { + "compound_id": "C01888", + "inchi": "InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3", + "name": "Aminoacetone", + "names": [ + "1-Amino-2-propanone", + "Aminoacetone" + ] + }, + { + "compound_id": "C01889", + "inchi": null, + "name": "Arabinoxylan", + "names": [ + "Arabinoxylan" + ] + }, + { + "compound_id": "C01890", + "inchi": null, + "name": "Arylalkylamine", + "names": [ + "Aralkylamine", + "Arylalkylamine" + ] + }, + { + "compound_id": "C01892", + "inchi": "InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)", + "name": "Asparagusate", + "names": [ + "Asparagusate", + "Asparagusic acid" + ] + }, + { + "compound_id": "C01893", + "inchi": "InChI=1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m0/s1", + "name": "Biotin amide", + "names": [ + "Biotin amide" + ] + }, + { + "compound_id": "C01894", + "inchi": "InChI=1S/C31H50N9O18P3S2/c1-31(2,25(44)28(45)34-8-7-19(41)33-9-10-62-20(42)6-4-3-5-18-21-16(12-63-18)38-30(46)39-21)13-55-61(52,53)58-60(50,51)54-11-17-24(57-59(47,48)49)23(43)29(56-17)40-15-37-22-26(32)35-14-36-27(22)40/h14-18,21,23-25,29,43-44H,3-13H2,1-2H3,(H,33,41)(H,34,45)(H,50,51)(H,52,53)(H2,32,35,36)(H2,38,39,46)(H2,47,48,49)/t16-,17+,18-,21-,23+,24+,25?,29+/m0/s1", + "name": "Biotinyl-CoA", + "names": [ + "Biotinyl-CoA" + ] + }, + { + "compound_id": "C01895", + "inchi": "InChI=1S/C55H84N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40?,41-,42?,52?,53?/m0/s1", + "name": "Bleomycin B2", + "names": [ + "Bleomycin B2" + ] + }, + { + "compound_id": "C01897", + "inchi": "InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1", + "name": "Camptothecin", + "names": [ + "Camptothecin" + ] + }, + { + "compound_id": "C01898", + "inchi": null, + "name": "Cellodextrin", + "names": [ + "Cellodextrin" + ] + }, + { + "compound_id": "C01901", + "inchi": null, + "name": "Cucurbitacin", + "names": [ + "Cucurbitacin" + ] + }, + { + "compound_id": "C01902", + "inchi": "InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1", + "name": "Cycloartenol", + "names": [ + "9beta,19-Cyclo-24-lanosten-3beta-ol", + "Cycloartenol" + ] + }, + { + "compound_id": "C01904", + "inchi": "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1", + "name": "D-Arabitol", + "names": [ + "D-Arabinitol", + "D-Arabinol", + "D-Arabitol", + "D-Lyxitol" + ] + }, + { + "compound_id": "C01905", + "inchi": "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1", + "name": "D-Asparagine", + "names": [ + "D-Asparagine" + ] + }, + { + "compound_id": "C01906", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5?,6-/m1/s1", + "name": "D-Hamamelose", + "names": [ + "D-Hamamelose" + ] + }, + { + "compound_id": "C01907", + "inchi": "InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1", + "name": "Daunorubicin", + "names": [ + "Daunomycin", + "Daunorubicin" + ] + }, + { + "compound_id": "C01909", + "inchi": "InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)", + "name": "Dethiobiotin", + "names": [ + "Desthiobiotin", + "Dethiobiotin" + ] + }, + { + "compound_id": "C01910", + "inchi": null, + "name": "Dinucleotide", + "names": [ + "Dinucleotide" + ] + }, + { + "compound_id": "C01912", + "inchi": "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1", + "name": "Erythromycin", + "names": [ + "Abomacetin", + "Erythromycin", + "Erythromycin A" + ] + }, + { + "compound_id": "C01913", + "inchi": "InChI=1S/6CN.Fe/c6*1-2;/q;;;;;;-4", + "name": "Ferrocyanide", + "names": [ + "Ferrocyanide", + "Hexacyanoferrate(II)" + ] + }, + { + "compound_id": "C01915", + "inchi": null, + "name": "Galactolipid", + "names": [ + "Galactolipid" + ] + }, + { + "compound_id": "C01917", + "inchi": "InChI=1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", + "name": "Gentamicin A", + "names": [ + "Gentamicin A" + ] + }, + { + "compound_id": "C01918", + "inchi": null, + "name": "Gentamicin C", + "names": [ + "Gentamicin C" + ] + }, + { + "compound_id": "C01920", + "inchi": "InChI=1S/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13-/t20-,24-,25-,26?,30-/m1/s1", + "name": "Geranoyl-CoA", + "names": [ + "Geranoyl-CoA", + "cis-Geranyl-CoA" + ] + }, + { + "compound_id": "C01921", + "inchi": "InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1", + "name": "Glycocholate", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine", + "Glycocholate", + "Glycocholic acid" + ] + }, + { + "compound_id": "C01923", + "inchi": null, + "name": "Heteroglycan", + "names": [ + "Heteroglycan", + "Heteropolysaccharide" + ] + }, + { + "compound_id": "C01924", + "inchi": "InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1", + "name": "Homoarginine", + "names": [ + "Homoarginine", + "L-Homoarginine" + ] + }, + { + "compound_id": "C01925", + "inchi": "InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14-,15-,16+,17+,18-,19?,20?/m1/s1", + "name": "Hygromycin B", + "names": [ + "Antibiotic A-396-II", + "Hygromycin B" + ] + }, + { + "compound_id": "C01926", + "inchi": "InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)", + "name": "Indomethacin", + "names": [ + "Indometacin", + "Indomethacin" + ] + }, + { + "compound_id": "C01927", + "inchi": "InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2", + "name": "Isoflavanone", + "names": [ + "Isoflavanone" + ] + }, + { + "compound_id": "C01928", + "inchi": null, + "name": "Ketoaldehyde", + "names": [ + "Ketoaldehyde" + ] + }, + { + "compound_id": "C01929", + "inchi": "InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/t5-/m0/s1", + "name": "L-Histidinal", + "names": [ + "L-Histidinal" + ] + }, + { + "compound_id": "C01930", + "inchi": "InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1", + "name": "L-Lysinamide", + "names": [ + "L-Lysinamide" + ] + }, + { + "compound_id": "C01931", + "inchi": null, + "name": "L-Lysyl-tRNA", + "names": [ + "L-Lysyl-tRNA", + "L-Lysyl-tRNA(Lys)", + "L-lysyl-tRNA-lys", + "l-lysyl-trna-lys" + ] + }, + { + "compound_id": "C01933", + "inchi": "InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1", + "name": "L-Norleucine", + "names": [ + "(S)-2-Aminohexanoic acid", + "L-2-Aminohexanoate", + "L-2-Aminohexanoic acid", + "L-Aminohexanoate", + "L-Aminohexanoic acid", + "L-Norleucine" + ] + }, + { + "compound_id": "C01934", + "inchi": "InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5+/m0/s1", + "name": "L-Rhamnonate", + "names": [ + "6-Deoxy-L-mannonic acid", + "L-Rhamnonate" + ] + }, + { + "compound_id": "C01935", + "inchi": null, + "name": "Maltodextrin", + "names": [ + "Linear maltodextrin", + "Maltodextrin", + "Maltodextrin(n)", + "Maltodextrin(n-2)", + "n+2 Maltodextrin" + ] + }, + { + "compound_id": "C01936", + "inchi": "InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32-,33-,34-,35-,36-/m1/s1", + "name": "Maltohexaose", + "names": [ + "Maltohexaose" + ] + }, + { + "compound_id": "C01937", + "inchi": "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1", + "name": "Methotrexate", + "names": [ + "Methotrexate" + ] + }, + { + "compound_id": "C01938", + "inchi": "InChI=1S/C10H8O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2,11-12H,3-4H2", + "name": "Naphthazarin", + "names": [ + "5,8-Dihydroxy-1,4-naphthoquinone", + "Naphthazarin" + ] + }, + { + "compound_id": "C01941", + "inchi": "InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17+,19-/m1/s1", + "name": "Nocardicin A", + "names": [ + "Nocardicin A" + ] + }, + { + "compound_id": "C01942", + "inchi": "InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25?,29-/m1/s1", + "name": "Nonanoyl-CoA", + "names": [ + "Nonanoyl-CoA" + ] + }, + { + "compound_id": "C01943", + "inchi": "InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1", + "name": "Obtusifoliol", + "names": [ + "4alpha,14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol", + "4alpha,14alpha-Dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol", + "Obtusifoliol" + ] + }, + { + "compound_id": "C01944", + "inchi": "InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24?,28-/m1/s1", + "name": "Octanoyl-CoA", + "names": [ + "Octanoyl-CoA" + ] + }, + { + "compound_id": "C01945", + "inchi": "InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31?,32+,33-,34+,35-,36-,37?,38+,39?,41-,42+,43-,44?/m1/s1", + "name": "Okadaic acid", + "names": [ + "Okadaic acid" + ] + }, + { + "compound_id": "C01946", + "inchi": "InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30?,31-,34?,35+/m0/s1", + "name": "Oleandomycin", + "names": [ + "Amimycin", + "Landomycin", + "Matromycin", + "Oleandomycin", + "Romicil" + ] + }, + { + "compound_id": "C01948", + "inchi": "InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3", + "name": "Pentadecanal", + "names": [ + "Pentadecanal" + ] + }, + { + "compound_id": "C01949", + "inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", + "name": "Pentan-2-one", + "names": [ + "2-Pentanone", + "Methyl propyl ketone", + "Pentan-2-one" + ] + }, + { + "compound_id": "C01950", + "inchi": "InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)", + "name": "Picolinamide", + "names": [ + "Picolinamide" + ] + }, + { + "compound_id": "C01951", + "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3", + "name": "Piperitenone", + "names": [ + "Piperitenone" + ] + }, + { + "compound_id": "C01952", + "inchi": "InChI=1S/C18H38N12O4/c19-10(4-1-7-26-16(20)21)13(31)29-11(5-2-8-27-17(22)23)14(32)30-12(15(33)34)6-3-9-28-18(24)25/h10-12H,1-9,19H2,(H,29,31)(H,30,32)(H,33,34)(H4,20,21,26)(H4,22,23,27)(H4,24,25,28)/t10-,11-,12-/m0/s1", + "name": "Polyarginine", + "names": [ + "Polyarginine" + ] + }, + { + "compound_id": "C01953", + "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "Pregnenolone", + "names": [ + "3beta-Hydroxypregn-5-en-20-one", + "5-Pregnen-3beta-ol-20-one", + "Pregnenolone" + ] + }, + { + "compound_id": "C01956", + "inchi": "InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)", + "name": "Pyrazinamide", + "names": [ + "Pyrazinamide", + "Pyrazinoic acid amide" + ] + }, + { + "compound_id": "C01957", + "inchi": "InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1", + "name": "Secologanate", + "names": [ + "Secologanate" + ] + }, + { + "compound_id": "C01958", + "inchi": null, + "name": "Steryl ester", + "names": [ + "Sterol ester", + "Steryl ester" + ] + }, + { + "compound_id": "C01959", + "inchi": "InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)", + "name": "Taurocyamine", + "names": [ + "Taurocyamine" + ] + }, + { + "compound_id": "C01960", + "inchi": null, + "name": "Tetrapeptide", + "names": [ + "Tetrapeptide" + ] + }, + { + "compound_id": "C01961", + "inchi": "InChI=1S/C8H19N4O6P/c1-12(2)6(7(13)14)5-18-19(15,16)17-4-3-11-8(9)10/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H4,9,10,11)/t6-/m0/s1", + "name": "Thalassemine", + "names": [ + "L-Thalassemine", + "Thalassemine" + ] + }, + { + "compound_id": "C01962", + "inchi": "InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1", + "name": "Thiocysteine", + "names": [ + "S-Mercapto-L-cysteine", + "Thiocysteine" + ] + }, + { + "compound_id": "C01963", + "inchi": "InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3", + "name": "Tolylacetate", + "names": [ + "Tolylacetate", + "p-Cresyl acetate", + "p-Tolyacetate" + ] + }, + { + "compound_id": "C01964", + "inchi": "InChI=1S/C14H13ClO2S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-9H,10H2,1H3", + "name": "Tos-Ph-CH2Cl", + "names": [ + "Tos-Ph-CH2Cl" + ] + }, + { + "compound_id": "C01965", + "inchi": "InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)", + "name": "Trimethoprim", + "names": [ + "Trimethoprim" + ] + }, + { + "compound_id": "C01967", + "inchi": "InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+", + "name": "Ubiquinone-9", + "names": [ + "Coenzyme Q(9)", + "Ubiquinone-45", + "Ubiquinone-9" + ] + }, + { + "compound_id": "C01968", + "inchi": "InChI=1S/C56H92/c1-14-25-47(4)28-16-29-49(6)32-18-33-51(8)36-20-37-53(10)40-22-41-55(12)44-24-45-56(13)43-23-42-54(11)39-21-38-52(9)35-19-34-50(7)31-17-30-48(5)27-15-26-46(2)3/h25-26,29-30,33-34,37-38,41-42,45H,14-24,27-28,31-32,35-36,39-40,43-44H2,1-13H3/b47-25+,48-30+,49-29+,50-34+,51-33+,52-38+,53-37+,54-42+,55-41+,56-45+", + "name": "Undecaprenol", + "names": [ + "Undecaprenol" + ] + }, + { + "compound_id": "C01969", + "inchi": "InChI=1S/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)", + "name": "Xanthommatin", + "names": [ + "Xanthommatin" + ] + }, + { + "compound_id": "C01970", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10?,11-,12?/m1/s1", + "name": "beta-Lactose", + "names": [ + "beta-D-Lactose", + "beta-Lactose" + ] + }, + { + "compound_id": "C01971", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1", + "name": "beta-Maltose", + "names": [ + "beta-Maltose" + ] + }, + { + "compound_id": "C01972", + "inchi": null, + "name": "m7G(5')pppAm", + "names": [ + "m7G(5')pppAm" + ] + }, + { + "compound_id": "C01977", + "inchi": null, + "name": "tRNA guanine", + "names": [ + "tRNA guanine" + ] + }, + { + "compound_id": "C01978", + "inchi": null, + "name": "tRNA queuine", + "names": [ + "tRNA queuine" + ] + }, + { + "compound_id": "C01983", + "inchi": "InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1", + "name": "(R)-Mandelate", + "names": [ + "(R)-2-Hydroxy-2-phenylacetate", + "(R)-2-Hydroxy-2-phenylacetic acid", + "(R)-Mandelate", + "(R)-Mandelic acid", + "d-mandelic acid" + ] + }, + { + "compound_id": "C01984", + "inchi": "InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1", + "name": "(S)-Mandelate", + "names": [ + "(S)-2-Hydroxy-2-phenylacetate", + "(S)-2-Hydroxy-2-phenylacetic acid", + "(S)-Mandelate", + "(S)-Mandelic acid" + ] + }, + { + "compound_id": "C01985", + "inchi": null, + "name": "11-Oxosteroid", + "names": [ + "11-Oxosteroid" + ] + }, + { + "compound_id": "C01986", + "inchi": "InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3", + "name": "16-Oxosteroid", + "names": [ + "16-Oxosteroid" + ] + }, + { + "compound_id": "C01987", + "inchi": "InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2", + "name": "2-Aminophenol", + "names": [ + "2-Aminobenzenol", + "2-Aminophenol", + "2-Hydroxyaniline", + "o-Aminophenol" + ] + }, + { + "compound_id": "C01988", + "inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H", + "name": "2-Nitrophenol", + "names": [ + "2-Nitrophenol" + ] + }, + { + "compound_id": "C01989", + "inchi": "InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)", + "name": "3-Ethylmalate", + "names": [ + "3-Ethylmalate" + ] + }, + { + "compound_id": "C01990", + "inchi": "InChI=1S/C6H6O8/c7-2(5(11)12)1(4(9)10)3(8)6(13)14/h1-2,7H,(H,9,10)(H,11,12)(H,13,14)", + "name": "3-Oxalomalate", + "names": [ + "3-Oxalomalate", + "3-Oxalomalic acid" + ] + }, + { + "compound_id": "C01991", + "inchi": "InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)", + "name": "4-Hydroxyacid", + "names": [ + "4-Hydroxyacid", + "4-Hydroxyalkanoic acid", + "4-Hydroxycarboxylic acid" + ] + }, + { + "compound_id": "C01992", + "inchi": null, + "name": "5'-Nucleotide", + "names": [ + "5'-Nucleotide" + ] + }, + { + "compound_id": "C01993", + "inchi": "InChI=1S/C10H10N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h1-4,6-7,10,16-17H,(H,11,12,18)/t4-,6-,7-,10-/m1/s1", + "name": "5'-Oxoinosine", + "names": [ + "5'-Dehydroinosine", + "5'-Oxoinosine" + ] + }, + { + "compound_id": "C01995", + "inchi": "InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3", + "name": "Acetone oxime", + "names": [ + "Acetone oxime", + "Acetoxime" + ] + }, + { + "compound_id": "C01996", + "inchi": "InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1", + "name": "Acetylcholine", + "names": [ + "Acetylcholine", + "O-Acetylcholine" + ] + }, + { + "compound_id": "C01997", + "inchi": null, + "name": "Histone N6-acetyl-L-lysine", + "names": [ + "Acetylhistone", + "Histone N6-acetyl-L-lysine" + ] + }, + { + "compound_id": "C01998", + "inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2", + "name": "Acrylonitrile", + "names": [ + "Acrylonitrile", + "Propenenitrile", + "Vinyl cyanide" + ] + }, + { + "compound_id": "C02000", + "inchi": null, + "name": "Alkyl sulfate", + "names": [ + "Alkyl sulfate" + ] + }, + { + "compound_id": "C02001", + "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2", + "name": "Allyl alcohol", + "names": [ + "2-Propen-1-ol", + "Allyl alcohol" + ] + }, + { + "compound_id": "C02002", + "inchi": null, + "name": "C3a anaphylatoxin", + "names": [ + "C3a anaphylatoxin" + ] + }, + { + "compound_id": "C02003", + "inchi": null, + "name": "Anthocyanidin", + "names": [ + "Anthocyanidin" + ] + }, + { + "compound_id": "C02004", + "inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1", + "name": "Aristolochene", + "names": [ + "(+)-Aristolochene", + "Aristolochene" + ] + }, + { + "compound_id": "C02006", + "inchi": "InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/b14-9-", + "name": "Aspulvinone E", + "names": [ + "(5Z)-4-Hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylene]-2(5H)-furanone", + "Aspulvinone E" + ] + }, + { + "compound_id": "C02007", + "inchi": "InChI=1S/C17H12O6/c18-10-3-1-9(2-4-10)7-14-16(21)15(17(22)23-14)12-6-5-11(19)8-13(12)20/h1-8,18-21H/b14-7-", + "name": "Aspulvinone G", + "names": [ + "Aspulvinone G" + ] + }, + { + "compound_id": "C02008", + "inchi": "InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/b24-14-", + "name": "Aspulvinone H", + "names": [ + "Aspulvinone H" + ] + }, + { + "compound_id": "C02009", + "inchi": "InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)", + "name": "Benzimidazole", + "names": [ + "Benzimidazole" + ] + }, + { + "compound_id": "C02010", + "inchi": "InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9?,10-,13+,14-/m0/s1", + "name": "Blasticidin S", + "names": [ + "Blasticidin S" + ] + }, + { + "compound_id": "C02012", + "inchi": null, + "name": "Catecholamine", + "names": [ + "Catecholamine" + ] + }, + { + "compound_id": "C02013", + "inchi": "InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18?,19?,20?,21?,22?,23?,24?/m1/s1", + "name": "Cellotetraose", + "names": [ + "Cellotetraose" + ] + }, + { + "compound_id": "C02014", + "inchi": null, + "name": "Choline ester", + "names": [ + "Choline ester" + ] + }, + { + "compound_id": "C02015", + "inchi": "InChI=1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/t21-,22-,27-,28-,29-,30-,31?,32?,39-,40-/m1/s1", + "name": "CoA-disulfide", + "names": [ + "CoA-disulfide" + ] + }, + { + "compound_id": "C02017", + "inchi": null, + "name": "Corticotropin", + "names": [ + "ACTH", + "Adrenocorticotropic hormone", + "Corticotropin" + ] + }, + { + "compound_id": "C02018", + "inchi": "InChI=1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H", + "name": "Cyanopyrazine", + "names": [ + "2-Cyanopyrazine", + "Cyanopyrazine" + ] + }, + { + "compound_id": "C02020", + "inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2", + "name": "Cyclopentanol", + "names": [ + "Cyclopentanol", + "Cyclopentyl alcohol" + ] + }, + { + "compound_id": "C02021", + "inchi": null, + "name": "Cytochrome c1", + "names": [ + "Cytochrome c1" + ] + }, + { + "compound_id": "C02022", + "inchi": "InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m1/s1", + "name": "D-Erythrulose", + "names": [ + "D-Erythrulose" + ] + }, + { + "compound_id": "C02023", + "inchi": null, + "name": "D-Galactoside", + "names": [ + "D-Galactoside" + ] + }, + { + "compound_id": "C02024", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6?/m0/s1", + "name": "D-Mannuronate", + "names": [ + "D-Mannuronate", + "D-Mannuronic acid" + ] + }, + { + "compound_id": "C02026", + "inchi": "InChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1-2,6H,3H2,(H2,5,7)", + "name": "Deoxycytosine", + "names": [ + "2'-Deoxycytosine", + "Deoxycytosine" + ] + }, + { + "compound_id": "C02027", + "inchi": "InChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/t16-,18-,19-,23-,25+,26+/m0/s1", + "name": "Deoxylimonate", + "names": [ + "Deoxylimonate", + "Deoxylimonic acid" + ] + }, + { + "compound_id": "C02028", + "inchi": "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)", + "name": "Dicarboxylate", + "names": [ + "Dicarboxylate", + "Dicarboxylic acid" + ] + }, + { + "compound_id": "C02029", + "inchi": "InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1", + "name": "Dihydrozeatin", + "names": [ + "2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol", + "Dihydrozeatin", + "N6-(4-Hydroxyisopentanyl)adenine" + ] + }, + { + "compound_id": "C02030", + "inchi": "InChI=1S/C36H58N7O17P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-27(45)64-16-15-38-26(44)13-14-39-34(48)31(47)36(5,6)19-57-63(54,55)60-62(52,53)56-18-25-30(59-61(49,50)51)29(46)35(58-25)43-21-42-28-32(37)40-20-41-33(28)43/h9,11,17,20-21,25,29-31,35,46-47H,7-8,10,12-16,18-19H2,1-6H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b23-11+,24-17+/t25-,29-,30-,31?,35-/m1/s1", + "name": "Farnesoyl-CoA", + "names": [ + "Farnesoyl-CoA" + ] + }, + { + "compound_id": "C02031", + "inchi": null, + "name": "G(5')pppR-RNA", + "names": [ + "G(5')pppPur-mRNA", + "G(5')pppR-RNA" + ] + }, + { + "compound_id": "C02033", + "inchi": "InChI=1S/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/t8-,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+/m1/s1", + "name": "Gentamicin C2", + "names": [ + "Gentamicin C2" + ] + }, + { + "compound_id": "C02034", + "inchi": "InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14?,17+,18+,19-,20-/m0/s1", + "name": "Gibberellin A19", + "names": [ + "Gibberellin 19", + "Gibberellin A19" + ] + }, + { + "compound_id": "C02035", + "inchi": "InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1", + "name": "Gibberellin A20", + "names": [ + "Gibberellin 20", + "Gibberellin A20" + ] + }, + { + "compound_id": "C02037", + "inchi": "InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)", + "name": "Glycylglycine", + "names": [ + "Glycylglycine", + "N-Glycylglycine" + ] + }, + { + "compound_id": "C02038", + "inchi": null, + "name": "Glycylpeptide", + "names": [ + "Glycylpeptide" + ] + }, + { + "compound_id": "C02040", + "inchi": "InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H", + "name": "Hydroxyindole", + "names": [ + "4-Hydroxyindole", + "Hydroxyindole" + ] + }, + { + "compound_id": "C02041", + "inchi": "InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34-,35-,36?,40-/m1/s1", + "name": "Eicosanoyl-CoA", + "names": [ + "Arachidoyl-CoA", + "Eicosanoyl-CoA", + "Icosanoyl-CoA" + ] + }, + { + "compound_id": "C02043", + "inchi": "InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)", + "name": "Indolelactate", + "names": [ + "Indolelactate", + "indole-3-lactate" + ] + }, + { + "compound_id": "C02045", + "inchi": "InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1", + "name": "L-Erythrulose", + "names": [ + "L-Erythrulose" + ] + }, + { + "compound_id": "C02046", + "inchi": "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1", + "name": "L-Hyoscyamine", + "names": [ + "Daturine", + "Duboisine", + "L-Hyoscyamine", + "L-Tropine tropate" + ] + }, + { + "compound_id": "C02047", + "inchi": null, + "name": "L-Leucyl-tRNA", + "names": [ + "L-Leucyl-tRNA", + "L-Leucyl-tRNA(Leu)" + ] + }, + { + "compound_id": "C02048", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11?,12+/m1/s1", + "name": "Laminaribiose", + "names": [ + "3-beta-D-Glucosyl-D-glucose", + "Laminariaceae", + "Laminaribiose" + ] + }, + { + "compound_id": "C02049", + "inchi": null, + "name": "Limit dextrin", + "names": [ + "Limit dextrin", + "alpha- and beta-Limit dextrin" + ] + }, + { + "compound_id": "C02050", + "inchi": "InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-/t28-,32-,33-,34?,38-/m1/s1", + "name": "Linoleoyl-CoA", + "names": [ + "(9Z,12Z)-Octadecadienoyl-CoA", + "Linoleoyl-CoA" + ] + }, + { + "compound_id": "C02051", + "inchi": null, + "name": "Lipoylprotein", + "names": [ + "H-Protein-lipoyllysine", + "Lipoylprotein" + ] + }, + { + "compound_id": "C02052", + "inchi": "InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1", + "name": "Maltotetraose", + "names": [ + "Maltotetraose" + ] + }, + { + "compound_id": "C02055", + "inchi": null, + "name": "N-Acylglycine", + "names": [ + "N-Acylglycine" + ] + }, + { + "compound_id": "C02056", + "inchi": null, + "name": "Peptidyl-tRNA", + "names": [ + "Peptidyl-tRNA" + ] + }, + { + "compound_id": "C02057", + "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)", + "name": "Phenylalanine", + "names": [ + "DL-Phenylalanine", + "Phenylalanine", + "alpha-Amino-beta-phenylpropionic acid" + ] + }, + { + "compound_id": "C02058", + "inchi": null, + "name": "Phosphoramide", + "names": [ + "Phosphoramide" + ] + }, + { + "compound_id": "C02059", + "inchi": "InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+", + "name": "Phylloquinone", + "names": [ + "2-Methyl-3-phytyl-1,4-naphthoquinone", + "Phylloquinone", + "Phytonadione", + "Vitamin K1" + ] + }, + { + "compound_id": "C02060", + "inchi": "InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27-,28-,29+,30-,34-,35-,36?,40-/m1/s1", + "name": "Phytanoyl-CoA", + "names": [ + "Phytanoyl-CoA" + ] + }, + { + "compound_id": "C02061", + "inchi": "", + "name": "Plastoquinone", + "names": [ + "Plastoquinone" + ] + }, + { + "compound_id": "C02064", + "inchi": "InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1", + "name": "Prostanoic acid", + "names": [ + "Prostanoic acid" + ] + }, + { + "compound_id": "C02065", + "inchi": null, + "name": "Protein alanine", + "names": [ + "Protein alanine" + ] + }, + { + "compound_id": "C02066", + "inchi": "InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3", + "name": "Pseudotropine", + "names": [ + "Pseudotropine" + ] + }, + { + "compound_id": "C02067", + "inchi": "InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1", + "name": "Pseudouridine", + "names": [ + "Pseudouridine" + ] + }, + { + "compound_id": "C02069", + "inchi": null, + "name": "Putidaredoxin", + "names": [ + "Putidaredoxin" + ] + }, + { + "compound_id": "C02072", + "inchi": "InChI=1S/C27H37N9O19P2/c28-13-1-4-34(25(42)31-13)22-17(39)16(38)11(52-22)8-49-56(45,46)55-21-12(53-24(19(21)41)36-6-3-15(30)33-27(36)44)9-50-57(47,48)54-20-10(7-37)51-23(18(20)40)35-5-2-14(29)32-26(35)43/h1-6,10-12,16-24,37-41H,7-9H2,(H,45,46)(H,47,48)(H2,28,31,42)(H2,29,32,43)(H2,30,33,44)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1", + "name": "RNA (poly(C))", + "names": [ + "RNA (poly(C))" + ] + }, + { + "compound_id": "C02073", + "inchi": null, + "name": "RNA(circular)", + "names": [ + "RNA(circular)" + ] + }, + { + "compound_id": "C02074", + "inchi": "InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13?,16-,17-,18+,19-,20+,21-,22+,24+,25?,26?,27+/m0/s1", + "name": "Raucaffricine", + "names": [ + "Raucaffricine", + "Vomilenine beta-D-glucoside" + ] + }, + { + "compound_id": "C02075", + "inchi": null, + "name": "Retinyl ester", + "names": [ + "Retinyl ester", + "all-trans-Retinyl ester" + ] + }, + { + "compound_id": "C02076", + "inchi": "InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1", + "name": "Sedoheptulose", + "names": [ + "D-Sedoheptulose", + "D-altro-Heptulose", + "Sedoheptulose", + "Volemulose" + ] + }, + { + "compound_id": "C02077", + "inchi": "InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)", + "name": "Semicarbazide", + "names": [ + "Aminourea", + "Carbamoylhydrazine", + "Hydrazinecarboxamide", + "Semicarbazide" + ] + }, + { + "compound_id": "C02078", + "inchi": "InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1", + "name": "Spectinomycin", + "names": [ + "Spectinomycin" + ] + }, + { + "compound_id": "C02079", + "inchi": "InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28?/m1/s1", + "name": "Staurosporine", + "names": [ + "STS", + "Staurosporine" + ] + }, + { + "compound_id": "C02080", + "inchi": "InChI=1S/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)", + "name": "Stipitatonate", + "names": [ + "Stipitatonate" + ] + }, + { + "compound_id": "C02081", + "inchi": "InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)", + "name": "Streptonigrin", + "names": [ + "Streptonigrin" + ] + }, + { + "compound_id": "C02083", + "inchi": "InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2", + "name": "Styrene oxide", + "names": [ + "Styrene oxide", + "Styrene-7,8-oxide" + ] + }, + { + "compound_id": "C02084", + "inchi": "InChI=1S/H2O6S4/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)", + "name": "Tetrathionate", + "names": [ + "Tetrathionate", + "Tetrathionic acid" + ] + }, + { + "compound_id": "C02085", + "inchi": null, + "name": "Thioglucoside", + "names": [ + "Thioglucoside" + ] + }, + { + "compound_id": "C02086", + "inchi": "InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)", + "name": "Thioglycolate", + "names": [ + "Mercaptoacetic acid", + "Mercaptoethanoic acid", + "Thioglycolate", + "Thioglycolic acid" + ] + }, + { + "compound_id": "C02087", + "inchi": "InChI=1S/C13H21ClN4O2S/c1-10-4-6-12(7-5-10)21(19,20)18-11(9-14)3-2-8-17-13(15)16/h4-7,11,18H,2-3,8-9H2,1H3,(H4,15,16,17)/t11-/m0/s1", + "name": "Tos-Arg-CH2Cl", + "names": [ + "Tos-Arg-CH2Cl" + ] + }, + { + "compound_id": "C02088", + "inchi": "InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1", + "name": "Tos-Phe-CH2Cl", + "names": [ + "N-Tosyl-L-phenylalanyl chloromethyl ketone", + "TPCK", + "Tos-Phe-CH2Cl" + ] + }, + { + "compound_id": "C02089", + "inchi": null, + "name": "O-Acyltropine", + "names": [ + "O-Acyltropine" + ] + }, + { + "compound_id": "C02090", + "inchi": "InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1", + "name": "Trypanothione", + "names": [ + "N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine", + "N1,N8-Bis(glutathionyl)spermidine", + "Reduced trypanothione", + "Trypanothione" + ] + }, + { + "compound_id": "C02091", + "inchi": "InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1", + "name": "(S)-Ureidoglycine", + "names": [ + "(S)-Ureidoglycine" + ] + }, + { + "compound_id": "C02094", + "inchi": "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+", + "name": "beta-Carotene", + "names": [ + "beta-Carotene" + ] + }, + { + "compound_id": "C02095", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1", + "name": "beta-D-Fucose", + "names": [ + "beta-D-Fucose" + ] + }, + { + "compound_id": "C02096", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1", + "name": "beta-D-Xylose", + "names": [ + "beta-D-Xylose" + ] + }, + { + "compound_id": "C02097", + "inchi": "InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1", + "name": "dTDP-galactose", + "names": [ + "dTDP-D-galactose", + "dTDP-galactose" + ] + }, + { + "compound_id": "C02099", + "inchi": "InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/t15-/m0/s1", + "name": "(2S)-Flavanone", + "names": [ + "(2S)-Flavanone" + ] + }, + { + "compound_id": "C02100", + "inchi": null, + "name": "(5')ppPur-mRNA", + "names": [ + "(5')ppPur-mRNA" + ] + }, + { + "compound_id": "C02101", + "inchi": "InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17+,18+,19+,20+,21-,22+,23?,24?,25?,26-,27?,28+,29?,30?/m1/s1", + "name": "Glucomannan longer by one mannose unit", + "names": [ + "Glucomannan longer by one mannose unit" + ] + }, + { + "compound_id": "C02103", + "inchi": null, + "name": "(S)-2-Haloacid", + "names": [ + "(S)-2-Haloacid" + ] + }, + { + "compound_id": "C02104", + "inchi": "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1", + "name": "(S)-Mevalonate", + "names": [ + "(S)-3,5-Dihydroxy-3-methylvaleric acid", + "(S)-Mevalonate", + "(S)-Mevalonic acid" + ] + }, + { + "compound_id": "C02105", + "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1", + "name": "(S)-Reticuline", + "names": [ + "(+)-Reticuline", + "(S)-Reticuline" + ] + }, + { + "compound_id": "C02106", + "inchi": "InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1", + "name": "(S)-Scoulerine", + "names": [ + "(13aS)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol", + "(S)-Scoulerine" + ] + }, + { + "compound_id": "C02107", + "inchi": "InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1", + "name": "(S,S)-Tartaric acid", + "names": [ + "(-)-Tartaric acid", + "(2S,3S)-Tartaric acid", + "(S,S)-Tartaric acid", + "(S,S)-Tartrate", + "D-Tartaric acid", + "D-Tartrate" + ] + }, + { + "compound_id": "C02108", + "inchi": "InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3", + "name": "1,2-Campholide", + "names": [ + "1,2-Campholide" + ] + }, + { + "compound_id": "C02110", + "inchi": "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+", + "name": "11-cis-Retinal", + "names": [ + "11-cis-Retinal", + "11-cis-Retinene", + "11-cis-Vitamin A aldehyde" + ] + }, + { + "compound_id": "C02111", + "inchi": null, + "name": "2,4-Dioxo acid", + "names": [ + "2,4-Dioxo acid" + ] + }, + { + "compound_id": "C02112", + "inchi": null, + "name": "2-Acylglycerol", + "names": [ + "2-Acylglycerol", + "2-Glyceride", + "2-Monoacylglycerol" + ] + }, + { + "compound_id": "C02115", + "inchi": "InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)", + "name": "2-Methylserine", + "names": [ + "2-Methylserine" + ] + }, + { + "compound_id": "C02116", + "inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3", + "name": "2-Nitropropane", + "names": [ + "2-Nitropropane" + ] + }, + { + "compound_id": "C02117", + "inchi": "InChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)/t16-,17-,18+/m1/s1", + "name": "2-Oxophytanate", + "names": [ + "2-Oxophytanate", + "2-Oxophytanic acid" + ] + }, + { + "compound_id": "C02118", + "inchi": null, + "name": "3,5-Dioxo acid", + "names": [ + "3,5-Dioxo acid" + ] + }, + { + "compound_id": "C02119", + "inchi": null, + "name": "3-Acylpyruvate", + "names": [ + "3-Acylpyruvate" + ] + }, + { + "compound_id": "C02122", + "inchi": "InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)", + "name": "3-Oxohexanoic acid", + "names": [ + "3-Oxohexanoate", + "3-Oxohexanoic acid" + ] + }, + { + "compound_id": "C02123", + "inchi": "InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1", + "name": "3-Propylmalate", + "names": [ + "3-Propylmalate" + ] + }, + { + "compound_id": "C02124", + "inchi": "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H", + "name": "4-Chlorophenol", + "names": [ + "4-Chlorophenol", + "Parachlorophenol", + "p-Chlorophenol" + ] + }, + { + "compound_id": "C02125", + "inchi": null, + "name": "4-Nitroanilide", + "names": [ + "4-Nitroanilide" + ] + }, + { + "compound_id": "C02126", + "inchi": "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2", + "name": "4-Nitroaniline", + "names": [ + "4-Nitroaniline", + "4-Nitrobenzeneamine", + "p-Nitroaniline" + ] + }, + { + "compound_id": "C02128", + "inchi": null, + "name": "5'-Phospho-DNA", + "names": [ + "5'-Phospho-DNA", + "DNA 5'-phosphate" + ] + }, + { + "compound_id": "C02129", + "inchi": "InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)", + "name": "5-Oxohexanoic acid", + "names": [ + "4-Acetylbutyric acid", + "5-Oxohexanoate", + "5-Oxohexanoic acid" + ] + }, + { + "compound_id": "C02130", + "inchi": "InChI=1S/C14H24O12/c1-4(16)23-3-6-7(17)8(18)11(21)14(25-6)26-12-5(2-15)24-13(22)10(20)9(12)19/h5-15,17-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13?,14-/m1/s1", + "name": "Acetyl-maltose", + "names": [ + "6-O-Acetyl-alpha-D-glucopyranosyl-(1->4)-D-glucose", + "Acetyl-maltose" + ] + }, + { + "compound_id": "C02131", + "inchi": "InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)", + "name": "Acetylagmatine", + "names": [ + "Acetylagmatine" + ] + }, + { + "compound_id": "C02132", + "inchi": "InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)", + "name": "Acetylpyruvate", + "names": [ + "2,4-Dioxopentanoate", + "Acetylpyruvate", + "Acetylpyruvic acid" + ] + }, + { + "compound_id": "C02133", + "inchi": null, + "name": "Acyl phosphate", + "names": [ + "Acyl phosphate" + ] + }, + { + "compound_id": "C02134", + "inchi": "InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3", + "name": "Allocryptopine", + "names": [ + "Allocryptopine" + ] + }, + { + "compound_id": "C02135", + "inchi": "InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1", + "name": "Angiotensin II", + "names": [ + "Angiotensin", + "Angiotensin II", + "Angiotonin", + "Hypertensin" + ] + }, + { + "compound_id": "C02137", + "inchi": "InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)", + "name": "alpha-Oxo-benzeneacetic acid", + "names": [ + "2-Oxo-2-phenylacetate", + "Benzoylformate", + "Benzoylformic acid", + "Phenylglyoxylate", + "Phenylglyoxylic acid", + "alpha-Oxo-benzeneacetic acid" + ] + }, + { + "compound_id": "C02138", + "inchi": "InChI=1S/C15H19N3O7/c1-15(2,3)25-14(21)17-11(8-12(16)19)13(20)24-10-6-4-9(5-7-10)18(22)23/h4-7,11H,8H2,1-3H3,(H2,16,19)(H,17,21)/t11-/m0/s1", + "name": "Boc-Asn-OPhNO2", + "names": [ + "Boc-Asn-OPhNO2" + ] + }, + { + "compound_id": "C02139", + "inchi": "InChI=1S/C35H36N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1", + "name": "Chlorophyllide", + "names": [ + "Chlorophyllide", + "Chlorophyllide a" + ] + }, + { + "compound_id": "C02140", + "inchi": "InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1", + "name": "Corticosterone", + "names": [ + "11beta,21-Dihydroxy-4-pregnene-3,20-dione", + "Corticosterone", + "Kendall's compound B", + "Reichstein's substance H" + ] + }, + { + "compound_id": "C02141", + "inchi": "InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1", + "name": "Cycloeucalenol", + "names": [ + "Cycloeucalenol" + ] + }, + { + "compound_id": "C02142", + "inchi": null, + "name": "D-Ribosyl-base", + "names": [ + "D-Ribosyl-base", + "D-Ribosyl-base1", + "D-Ribosyl-base2" + ] + }, + { + "compound_id": "C02143", + "inchi": null, + "name": "D-threo-Aldose", + "names": [ + "(2S,3R)-Aldose", + "D-threo-Aldose" + ] + }, + { + "compound_id": "C02144", + "inchi": null, + "name": "Dehydropeptide", + "names": [ + "Dehydropeptide" + ] + }, + { + "compound_id": "C02146", + "inchi": null, + "name": "Dialkyl ketone", + "names": [ + "Dialkyl ketone" + ] + }, + { + "compound_id": "C02147", + "inchi": "InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)", + "name": "Dihydrolipoate", + "names": [ + "Dihydro--lipoate", + "Dihydrolipoate", + "Dihydrolipoic acid", + "Dihydrothioctic acid", + "dihydro--lipoate" + ] + }, + { + "compound_id": "C02150", + "inchi": "InChI=1S/C4H4O4/c5-2-1-3(6)4(7)8/h2H,1H2,(H,7,8)", + "name": "Formylpyruvate", + "names": [ + "Formylpyruvate" + ] + }, + { + "compound_id": "C02151", + "inchi": "InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16-17,19,22H,8-11H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1", + "name": "Geissoschizine", + "names": [ + "Geissoschizine" + ] + }, + { + "compound_id": "C02153", + "inchi": "InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1", + "name": "Glucotropaeolin", + "names": [ + "Benzyl glucosinolate", + "Glucotropaeolin", + "Glucotropeolin" + ] + }, + { + "compound_id": "C02154", + "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2", + "name": "Glyceraldehyde", + "names": [ + "2,3-Dihydroxypropanal", + "2,3-Dihydroxypropionaldehyde", + "Aldotriose", + "Glyceraldehyde", + "Glycerose" + ] + }, + { + "compound_id": "C02155", + "inchi": "InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1", + "name": "Glycyl-leucine", + "names": [ + "Glycyl-L-leucine", + "Glycyl-leucine" + ] + }, + { + "compound_id": "C02159", + "inchi": "InChI=1S/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3", + "name": "Hydroxysteroid", + "names": [ + "Hydroxysteroid" + ] + }, + { + "compound_id": "C02160", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16?,17+,18+/m1/s1", + "name": "Isomaltotriose", + "names": [ + "Isomaltotriose" + ] + }, + { + "compound_id": "C02161", + "inchi": "InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2", + "name": "2-Aminophenoxazin-3-one", + "names": [ + "2-Aminophenoxazin-3-one", + "3-Aminophenoxazone", + "Isophenoxazine" + ] + }, + { + "compound_id": "C02162", + "inchi": "InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3", + "name": "Isopimpinellin", + "names": [ + "5,8-Dimethoxypsoralen", + "Isopimpinellin" + ] + }, + { + "compound_id": "C02163", + "inchi": null, + "name": "L-Arginyl-tRNA(Arg)", + "names": [ + "L-Arginyl-tRNA", + "L-Arginyl-tRNA(Arg)", + "L-arginyl-tRNA-arg", + "l-arginyl-trna-arg" + ] + }, + { + "compound_id": "C02165", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1", + "name": "Leukotriene B4", + "names": [ + "(6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate", + "(6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate", + "LTB4", + "Leukotriene B4" + ] + }, + { + "compound_id": "C02166", + "inchi": "InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1", + "name": "Leukotriene C4", + "names": [ + "LTC4", + "Leukotriene C4" + ] + }, + { + "compound_id": "C02167", + "inchi": "InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1-", + "name": "Maleylpyruvate", + "names": [ + "3-Maleylpyruvate", + "Maleylpyruvate", + "Maleylpyruvic acid" + ] + }, + { + "compound_id": "C02168", + "inchi": "InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)", + "name": "Mefenamic acid", + "names": [ + "Mefenamic acid" + ] + }, + { + "compound_id": "C02170", + "inchi": "InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)", + "name": "Methylmalonate", + "names": [ + "Methylmalonate", + "Methylmalonic acid" + ] + }, + { + "compound_id": "C02171", + "inchi": null, + "name": "Mononucleotide", + "names": [ + "Mononucleotide" + ] + }, + { + "compound_id": "C02172", + "inchi": "InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3", + "name": "N-Acetylisatin", + "names": [ + "1-Acetylisatin", + "N-Acetylisatin" + ] + }, + { + "compound_id": "C02173", + "inchi": null, + "name": "N-Acylmuramate", + "names": [ + "N-Acylmuramate" + ] + }, + { + "compound_id": "C02174", + "inchi": "InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)", + "name": "Oligophosphate", + "names": [ + "Oligophosphate" + ] + }, + { + "compound_id": "C02179", + "inchi": null, + "name": "Peptidyl amide", + "names": [ + "Peptidyl amide" + ] + }, + { + "compound_id": "C02180", + "inchi": "InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)", + "name": "Phenylsulfate", + "names": [ + "Phenol sulfate", + "Phenylsulfate" + ] + }, + { + "compound_id": "C02181", + "inchi": "InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)", + "name": "Phenoxyacetate", + "names": [ + "Phenoxyacetate", + "Phenoxyacetic acid" + ] + }, + { + "compound_id": "C02183", + "inchi": "InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H", + "name": "Phloroglucinol", + "names": [ + "1,3,5-Benzenetriol", + "1,3,5-Trihydroxybenzene", + "Phloroglucinol" + ] + }, + { + "compound_id": "C02185", + "inchi": "InChI=1S/C13H18O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7,14-15H,6H2,1-4H3", + "name": "Plastoquinol-1", + "names": [ + "Plastoquinol-1" + ] + }, + { + "compound_id": "C02186", + "inchi": null, + "name": "Prolyl-peptide", + "names": [ + "Prolyl-peptide" + ] + }, + { + "compound_id": "C02188", + "inchi": null, + "name": "Protein lysine", + "names": [ + "Peptidyl-L-lysine", + "Protein lysine" + ] + }, + { + "compound_id": "C02189", + "inchi": null, + "name": "Protein serine", + "names": [ + "Protein L-serine", + "Protein serine" + ] + }, + { + "compound_id": "C02191", + "inchi": "InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-", + "name": "Protoporphyrin", + "names": [ + "Porphyrinogen IX", + "Protoporphyrin", + "Protoporphyrin IX" + ] + }, + { + "compound_id": "C02193", + "inchi": "InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2-", + "name": "Pyruvate oxime", + "names": [ + "Pyruvate oxime" + ] + }, + { + "compound_id": "C02195", + "inchi": "InChI=1S/C17H28O4S/c18-22(19,20)21-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-17H,1-10H2,(H,18,19,20)", + "name": "Steryl sulfate", + "names": [ + "Steryl sulfate" + ] + }, + { + "compound_id": "C02196", + "inchi": null, + "name": "Tertiary amine", + "names": [ + "Tertiary amine" + ] + }, + { + "compound_id": "C02197", + "inchi": "InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1", + "name": "Testolactone", + "names": [ + "Testolactone" + ] + }, + { + "compound_id": "C02198", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1", + "name": "Thromboxane A2", + "names": [ + "(5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate", + "(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid", + "TXA2", + "Thromboxane A2" + ] + }, + { + "compound_id": "C02199", + "inchi": "InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13?,14+/m0/s1", + "name": "UDP-L-rhamnose", + "names": [ + "UDP-L-rhamnose" + ] + }, + { + "compound_id": "C02200", + "inchi": "InChI=1S/C15H25N3O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1", + "name": "UDP-glucosamine", + "names": [ + "UDP-glucosamine" + ] + }, + { + "compound_id": "C02201", + "inchi": "InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3", + "name": "Veratraldehyde", + "names": [ + "3,4-Dimethoxybenzaldehyde", + "Veratraldehyde", + "Veratric aldehyde" + ] + }, + { + "compound_id": "C02202", + "inchi": "InChI=1S/C25H27N4O/c26-28-19-23(16-20-10-4-1-5-11-20)29-25(30)24(17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15,23-24,27H,16-19H2,(H,29,30)/t23-,24+/m1/s1", + "name": "Z-Phe-Phe-CHN2", + "names": [ + "Z-Phe-Phe-CHN2" + ] + }, + { + "compound_id": "C02203", + "inchi": "InChI=1S/C23H29N3O6/c1-15(2)12-19(22(29)26-31)24-21(28)20(13-16-8-10-18(27)11-9-16)25-23(30)32-14-17-6-4-3-5-7-17/h3-11,15,19-20,27,31H,12-14H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t19-,20+/m1/s1", + "name": "Z-Tyr-Leu-NHOH", + "names": [ + "Benzyloxycarbonyl-Tyr-Leu-NHOH", + "Cbz-Tyr-Leu-NHOH", + "Z-Tyr-Leu-NHOH" + ] + }, + { + "compound_id": "C02204", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5+/m1/s1", + "name": "alpha-D-Lyxose", + "names": [ + "alpha-D-Lyxose" + ] + }, + { + "compound_id": "C02205", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1", + "name": "alpha-D-Xylose", + "names": [ + "alpha-D-Xylose" + ] + }, + { + "compound_id": "C02206", + "inchi": "InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1", + "name": "alpha-Santonin", + "names": [ + "alpha-Santonin" + ] + }, + { + "compound_id": "C02207", + "inchi": "InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1", + "name": "beta-Alanopine", + "names": [ + "N-(D-1-Carboxyethyl)-beta-alanine", + "beta-Alanopine" + ] + }, + { + "compound_id": "C02209", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1", + "name": "beta-D-Mannose", + "names": [ + "beta-D-Mannose" + ] + }, + { + "compound_id": "C02210", + "inchi": null, + "name": "beta-Endorphin", + "names": [ + "beta-Endorphin" + ] + }, + { + "compound_id": "C02211", + "inchi": null, + "name": "tRNA precursor", + "names": [ + "tRNA precursor" + ] + }, + { + "compound_id": "C02213", + "inchi": "InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10+/m0/s1", + "name": "(+)-trans-Sabinol", + "names": [ + "(+)-trans-Sabinol", + "Sabinol" + ] + }, + { + "compound_id": "C02214", + "inchi": "InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+", + "name": "(E)-Glutaconate", + "names": [ + "(E)-Glutaconate", + "Glutaconic acid", + "trans-Glutaconate", + "trans-Glutaconic acid" + ] + }, + { + "compound_id": "C02216", + "inchi": "InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)", + "name": "1-Methyladenine", + "names": [ + "1-Methyladenine" + ] + }, + { + "compound_id": "C02217", + "inchi": "InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h9H,1-8H2,(H,12,13)", + "name": "10-Oxodecanoate", + "names": [ + "10-Oxodecanoate" + ] + }, + { + "compound_id": "C02218", + "inchi": "InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)", + "name": "Dehydroalanine", + "names": [ + "2-Aminoacrylate", + "Dehydroalanine" + ] + }, + { + "compound_id": "C02220", + "inchi": "InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1+,4-2-", + "name": "2-Aminomuconate", + "names": [ + "2-Aminomuconate", + "2-Aminomuconic acid", + "o-Aminomuconate" + ] + }, + { + "compound_id": "C02221", + "inchi": "InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H", + "name": "2-Cyanopyridine", + "names": [ + "2-Cyanopyridine" + ] + }, + { + "compound_id": "C02222", + "inchi": "InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1-", + "name": "2-Maleylacetate", + "names": [ + "2-Maleylacetate", + "4-Oxohex-2-enedioate", + "Maleylacetate" + ] + }, + { + "compound_id": "C02223", + "inchi": "InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3", + "name": "2-Methylbutanal", + "names": [ + "2-Methylbutanal", + "2-Methylbutyraldehyde" + ] + }, + { + "compound_id": "C02224", + "inchi": "InChI=1S/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1", + "name": "2-Methylcholine", + "names": [ + "2-Methylcholine" + ] + }, + { + "compound_id": "C02225", + "inchi": "InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1", + "name": "2-Methylcitrate", + "names": [ + "(2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate", + "2-Hydroxybutane-1,2,3-tricarboxylate", + "2-Methylcitrate" + ] + }, + { + "compound_id": "C02226", + "inchi": "InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-", + "name": "2-Methylmaleate", + "names": [ + "2-Methylmaleate", + "Citraconate", + "Citraconic acid", + "Methylmaleic acid" + ] + }, + { + "compound_id": "C02227", + "inchi": "InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2", + "name": "2-Naphthylamine", + "names": [ + "2-Aminonaphthalene", + "2-Naphthalenamine", + "2-Naphthylamine", + "beta-Naphthylamine" + ] + }, + { + "compound_id": "C02229", + "inchi": "InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2", + "name": "3-aminopropanal", + "names": [ + "3-aminopropanal" + ] + }, + { + "compound_id": "C02230", + "inchi": "InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)", + "name": "3-Methylguanine", + "names": [ + "2-Amino-3,7-dihydro-3-methyl-6H-purin-6-one", + "3-Methylguanine" + ] + }, + { + "compound_id": "C02231", + "inchi": "InChI=1S/C3H3NO4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)/b2-1+", + "name": "3-Nitroacrylate", + "names": [ + "3-Nitroacrylate" + ] + }, + { + "compound_id": "C02232", + "inchi": "InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t15-,20-,21-,22+,26-/m1/s1", + "name": "3-oxoadipyl-CoA", + "names": [ + "3-oxoadipyl-CoA" + ] + }, + { + "compound_id": "C02233", + "inchi": "InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)", + "name": "3-Oxopentanoic acid", + "names": [ + "3-Oxopentanoate", + "3-Oxopentanoic acid" + ] + }, + { + "compound_id": "C02234", + "inchi": "InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H", + "name": "4-Cyanopyridine", + "names": [ + "4-Cyanopyridine" + ] + }, + { + "compound_id": "C02235", + "inchi": "InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H", + "name": "4-Nitrocatechol", + "names": [ + "4-Nitrocatechol" + ] + }, + { + "compound_id": "C02236", + "inchi": "InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)", + "name": "4-Sulfobenzoate", + "names": [ + "4-Sulfobenzoate", + "4-Sulfobenzoic acid" + ] + }, + { + "compound_id": "C02237", + "inchi": "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1", + "name": "5-Oxo-D-proline", + "names": [ + "5-Oxo-D-proline", + "D-5-Pyrrolidone-2-carboxylic acid", + "D-Pyroglutamic acid" + ] + }, + { + "compound_id": "C02240", + "inchi": "InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2", + "name": "5-Valerolactone", + "names": [ + "5-Valerolactone", + "delta-Valerolactone", + "gamma-Valerolactone" + ] + }, + { + "compound_id": "C02241", + "inchi": "InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)", + "name": "7-Methyladenine", + "names": [ + "7-Methyladenine" + ] + }, + { + "compound_id": "C02242", + "inchi": "InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)", + "name": "7-Methylguanine", + "names": [ + "7-Methylguanine" + ] + }, + { + "compound_id": "C02243", + "inchi": "InChI=1S/C11H14N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-4,6,8-9,11,16,18-19H,1-2H2,(H,12,13)/t6-,8-,9-,11-/m1/s1", + "name": "8-Oxocoformycin", + "names": [ + "8-Oxocoformycin" + ] + }, + { + "compound_id": "C02244", + "inchi": null, + "name": "Aliphatic amide", + "names": [ + "Aliphatic amide" + ] + }, + { + "compound_id": "C02245", + "inchi": null, + "name": "Alkyl sulfenate", + "names": [ + "Alkyl sulfenate" + ] + }, + { + "compound_id": "C02246", + "inchi": null, + "name": "Angiotensinogen", + "names": [ + "Angiotensinogen", + "Proangiotensin" + ] + }, + { + "compound_id": "C02247", + "inchi": "InChI=1S/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "Anthranilyl-CoA", + "names": [ + "2-Aminobenzoyl-CoA", + "Anthranilyl-CoA" + ] + }, + { + "compound_id": "C02248", + "inchi": null, + "name": "Apocytochrome c", + "names": [ + "Apocytochrome c" + ] + }, + { + "compound_id": "C02249", + "inchi": "InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36?,40-/m1/s1", + "name": "Arachidonyl-CoA", + "names": [ + "(5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA", + "Arachidonoyl-CoA", + "Arachidonyl-CoA" + ] + }, + { + "compound_id": "C02252", + "inchi": null, + "name": "Arylhydroxamate", + "names": [ + "Arylhydroxamate" + ] + }, + { + "compound_id": "C02253", + "inchi": "InChI=1S/C12H18N4O/c13-12(14)16-9-5-4-8-15-11(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H4,13,14,16)", + "name": "Benzoylagmatine", + "names": [ + "Benzoylagmatine" + ] + }, + { + "compound_id": "C02255", + "inchi": null, + "name": "CDP-acylglycerol", + "names": [ + "1-Acyl-sn-glycero-3-cytidine-5'-diphosphate", + "CDP-acylglycerol" + ] + }, + { + "compound_id": "C02256", + "inchi": "InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1", + "name": "Castanospermine", + "names": [ + "Castanospermine" + ] + }, + { + "compound_id": "C02257", + "inchi": null, + "name": "Cereal D-glucan", + "names": [ + "Cereal D-glucan" + ] + }, + { + "compound_id": "C02261", + "inchi": "InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1", + "name": "D-2-Aminobutyrate", + "names": [ + "(R)-2-Aminobutanoic acid", + "D-2-Aminobutanoic acid", + "D-2-Aminobutyrate", + "D-2-Aminobutyric acid" + ] + }, + { + "compound_id": "C02262", + "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1", + "name": "D-Galactosamine", + "names": [ + "2-Amino-2-deoxy-D-galactose", + "D-Chondrosamine", + "D-Galactosamine" + ] + }, + { + "compound_id": "C02264", + "inchi": "InChI=1S/C6H13NO6/c8-2-4(10)6(12)5(11)3(9)1-7-13/h1,3-6,8-13H,2H2/b7-1+/t3-,4+,5+,6+/m0/s1", + "name": "D-Glucose oxime", + "names": [ + "D-Glucose oxime" + ] + }, + { + "compound_id": "C02265", + "inchi": "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1", + "name": "D-Phenylalanine", + "names": [ + "D-Phenylalanine", + "D-alpha-Amino-beta-phenylpropionic acid" + ] + }, + { + "compound_id": "C02266", + "inchi": "InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1", + "name": "D-Xylonolactone", + "names": [ + "D-Xylono-1,5-lactone", + "D-Xylonolactone" + ] + }, + { + "compound_id": "C02267", + "inchi": "InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1", + "name": "Deoxycoformycin", + "names": [ + "Deoxycoformycin", + "Pentostatin" + ] + }, + { + "compound_id": "C02269", + "inchi": null, + "name": "Deoxynucleoside", + "names": [ + "2'-Deoxynucleoside", + "2-Deoxy-D-ribosyl-base", + "2-Deoxy-D-ribosyl-base1", + "2-Deoxy-D-ribosyl-base2", + "Deoxynucleoside" + ] + }, + { + "compound_id": "C02270", + "inchi": null, + "name": "Depurinated DNA", + "names": [ + "Apurinic site in DNA", + "Depurinated DNA" + ] + }, + { + "compound_id": "C02271", + "inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2", + "name": "Dichloromethane", + "names": [ + "Dichloromethane", + "Methylene chloride", + "Methylene dichloride" + ] + }, + { + "compound_id": "C02272", + "inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3", + "name": "Diethyl sulfide", + "names": [ + "Diethyl sulfide", + "Diethyl thioether", + "Ethyl sulfide", + "Ethyl thioether" + ] + }, + { + "compound_id": "C02273", + "inchi": "InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6?,7-,8-,11?,12?/m0/s1", + "name": "Digalacturonate", + "names": [ + "Digalacturonate", + "Digalacturonic acid" + ] + }, + { + "compound_id": "C02274", + "inchi": "InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2", + "name": "Dihydrocoumarin", + "names": [ + "3,4-Dihydrocoumarin", + "Dihydrocoumarin" + ] + }, + { + "compound_id": "C02277", + "inchi": "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3", + "name": "1-Dodecanol", + "names": [ + "1-Dodecanol", + "Dodecyl alcohol", + "Dodecylalcohol", + "Lauryl alcohol" + ] + }, + { + "compound_id": "C02278", + "inchi": "InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3", + "name": "Dodecylaldehyde", + "names": [ + "Dodecanal", + "Dodecyl aldehyde", + "Dodecylaldehyde", + "Lauraldehyde" + ] + }, + { + "compound_id": "C02280", + "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1", + "name": "GDP-L-galactose", + "names": [ + "GDP-L-galactose" + ] + }, + { + "compound_id": "C02282", + "inchi": null, + "name": "Glutaminyl-tRNA", + "names": [ + "Gln-tRNA(Gln)", + "Glutaminyl-tRNA", + "Glutaminyl-tRNA(Gln)", + "L-Glutaminyl-tRNA(Gln)" + ] + }, + { + "compound_id": "C02283", + "inchi": "InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1", + "name": "Glycyrrhetinate", + "names": [ + "Enoxolone", + "Glycyrrhetinate", + "Glycyrrhetinic acid" + ] + }, + { + "compound_id": "C02284", + "inchi": "InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22?,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35?,38+,39-,40-,41+,42+/m0/s1", + "name": "Glycyrrhizinate", + "names": [ + "(3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid", + "Glycyrrhizic acid", + "Glycyrrhizin", + "Glycyrrhizinate" + ] + }, + { + "compound_id": "C02287", + "inchi": "InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)", + "name": "Hydroxymalonate", + "names": [ + "2-Hydroxymalonate", + "2-Hydroxymalonic acid", + "2-Tartronic acid", + "Hydroxymalonate", + "Hydroxymalonic acid", + "Tartronic acid" + ] + }, + { + "compound_id": "C02288", + "inchi": null, + "name": "Reduced insulin", + "names": [ + "Reduced insulin" + ] + }, + { + "compound_id": "C02289", + "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m0/s1", + "name": "Isopiperitenone", + "names": [ + "Isopiperitenone" + ] + }, + { + "compound_id": "C02290", + "inchi": "InChI=1S/C7H16N2O2/c1-9(2,3)5-6(10)4-7(8)11/h6,10H,4-5H2,1-3H3,(H-,8,11)/p+1/t6-/m1/s1", + "name": "L-Carnitinamide", + "names": [ + "L-Carnitinamide" + ] + }, + { + "compound_id": "C02291", + "inchi": "InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", + "name": "L-Cystathionine", + "names": [ + "L-Cystathionine" + ] + }, + { + "compound_id": "C02293", + "inchi": "InChI=1S/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3/b12-10+", + "name": "Latia luciferin", + "names": [ + "Latia luciferin" + ] + }, + { + "compound_id": "C02294", + "inchi": "InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)", + "name": "Methylguanidine", + "names": [ + "Methylguanidine" + ] + }, + { + "compound_id": "C02295", + "inchi": "InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h4H,1H2,2H3,(H,7,8)(H,9,10)", + "name": "Methylitaconate", + "names": [ + "2-Methylene-3-methylsuccinate", + "Methylitaconate" + ] + }, + { + "compound_id": "C02297", + "inchi": "InChI=1S/C3H8N2O/c1-3(6)5-2-4/h2,4H2,1H3,(H,5,6)", + "name": "N-Acetyldiamine", + "names": [ + "N-Acetyldiamine" + ] + }, + { + "compound_id": "C02298", + "inchi": "InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3", + "name": "N-Acetylindoxyl", + "names": [ + "Acetylindoxyl", + "N-Acetylindoxyl" + ] + }, + { + "compound_id": "C02299", + "inchi": "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3", + "name": "N-Methylaniline", + "names": [ + "N-Methylaniline", + "N-Methylbenzenamine" + ] + }, + { + "compound_id": "C02301", + "inchi": null, + "name": "O-Acylcarnitine", + "names": [ + "O-Acylcarnitine" + ] + }, + { + "compound_id": "C02303", + "inchi": null, + "name": "Peptidylglycine", + "names": [ + "Peptidylglycine" + ] + }, + { + "compound_id": "C02304", + "inchi": "InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2", + "name": "Phenylhydrazine", + "names": [ + "Hydrazinobenzene", + "Phenyldiazane", + "Phenylhydrazine" + ] + }, + { + "compound_id": "C02305", + "inchi": "InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)", + "name": "Phosphocreatine", + "names": [ + "Creatine phosphate", + "N-Phosphocreatine", + "Phosphocreatine" + ] + }, + { + "compound_id": "C02306", + "inchi": "InChI=1S/H4NO3P/c1-5(2,3)4/h(H4,1,2,3,4)", + "name": "Phosphoramidate", + "names": [ + "Amidophosphoric acid", + "Phosphoramidate", + "Phosphoramide", + "Phosphoramidic acid" + ] + }, + { + "compound_id": "C02307", + "inchi": null, + "name": "Phosphorylase a", + "names": [ + "Phosphorylase a", + "[Phosphorylase a]" + ] + }, + { + "compound_id": "C02308", + "inchi": null, + "name": "Phosphorylase b", + "names": [ + "Phosphorylase b", + "[Phosphorylase b]" + ] + }, + { + "compound_id": "C02311", + "inchi": "InChI=1S/CH6N2/c2-1-3/h1-3H2", + "name": "Primary diamine", + "names": [ + "Primary diamine" + ] + }, + { + "compound_id": "C02314", + "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19+/m0/s1", + "name": "Prostaglandin F2beta", + "names": [ + "5-Heptenoic acid, 7-[3,5-dihydroxy-2(3-hydroxy-1-octenyl)cyclopentyl]-, stereoisomer", + "9beta,11alpha-PGF2a", + "9beta,11alpha-PGF2alpha", + "PGF2b", + "PGF2beta", + "Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-,(5Z,9beta,11alpha,13E,15S)-", + "Prostaglandin F2b", + "Prostaglandin F2beta" + ] + }, + { + "compound_id": "C02315", + "inchi": null, + "name": "Protein dithiol", + "names": [ + "Protein dithiol" + ] + }, + { + "compound_id": "C02318", + "inchi": null, + "name": "R'C(R)S-S(R)CR'", + "names": [ + "R'C(R)S-S(R)CR'" + ] + }, + { + "compound_id": "C02319", + "inchi": null, + "name": "R-CHOH-CO-CH2OH", + "names": [ + "R-CHOH-CO-CH2OH" + ] + }, + { + "compound_id": "C02320", + "inchi": null, + "name": "R-S-Glutathione", + "names": [ + "R-S-Glutathione" + ] + }, + { + "compound_id": "C02321", + "inchi": null, + "name": "Rubber particle", + "names": [ + "Rubber", + "Rubber (all-cis)", + "Rubber particle" + ] + }, + { + "compound_id": "C02323", + "inchi": "InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2", + "name": "Salicyl alcohol", + "names": [ + "2-(Hydroxymethyl)phenol", + "2-Hydroxybenzyl alcohol", + "Salicyl alcohol", + "Saligenin" + ] + }, + { + "compound_id": "C02324", + "inchi": null, + "name": "Secondary amine", + "names": [ + "Secondary amine" + ] + }, + { + "compound_id": "C02325", + "inchi": "InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+", + "name": "Sinapyl alcohol", + "names": [ + "Sinapoyl alcohol", + "Sinapyl alcohol" + ] + }, + { + "compound_id": "C02327", + "inchi": null, + "name": "Thiogalactoside", + "names": [ + "Thiogalactoside" + ] + }, + { + "compound_id": "C02328", + "inchi": "InChI=1S/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1", + "name": "Tolmetin sodium", + "names": [ + "Tolmetin sodium" + ] + }, + { + "compound_id": "C02330", + "inchi": "InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1", + "name": "UDP-L-iduronate", + "names": [ + "UDP-L-iduronate" + ] + }, + { + "compound_id": "C02331", + "inchi": "InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4,12-14,18-20,24,35-36H,1,5-11H2,2-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1", + "name": "Vinylacetyl-CoA", + "names": [ + "3-Butenoyl-CoA", + "But-3-enoyl-CoA", + "Vinylacetyl-CoA" + ] + }, + { + "compound_id": "C02332", + "inchi": null, + "name": "Vitamin A ester", + "names": [ + "Vitamin A ester" + ] + }, + { + "compound_id": "C02333", + "inchi": "InChI=1S/C9H10N4O4/c1-3(14)6(15)4-2-10-7-5(11-4)8(16)13-9(17)12-7/h3,14H,2H2,1H3,(H3,10,12,13,16,17)", + "name": "Xanthopterin-B2", + "names": [ + "1-(7,8-Dihydro-2,4-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one", + "Xanthopterin-B2" + ] + }, + { + "compound_id": "C02334", + "inchi": "InChI=1S/C30H39N9O6/c1-18-15-25(40)45-24-16-20(11-12-21(18)24)37-22(9-5-13-35-28(31)32)26(41)39-27(42)23(10-6-14-36-29(33)34)38-30(43)44-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22-23,37H,5-6,9-10,13-14,17H2,1H3,(H,38,43)(H4,31,32,35)(H4,33,34,36)(H,39,41,42)/t22-,23-/m0/s1", + "name": "Z-Arg-Arg-NHMec", + "names": [ + "Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide", + "Z-Arg-Arg-NHMec" + ] + }, + { + "compound_id": "C02335", + "inchi": "InChI=1S/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1", + "name": "beta-Alanyl-CoA", + "names": [ + "beta-Alanyl-CoA" + ] + }, + { + "compound_id": "C02336", + "inchi": "InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1", + "name": "beta-D-Fructose", + "names": [ + "Fructose", + "beta-D-Fructose", + "beta-D-arabino-Hexulose", + "beta-Fruit sugar", + "beta-Levulose" + ] + }, + { + "compound_id": "C02337", + "inchi": null, + "name": "beta-D-Xyloside", + "names": [ + "beta-D-Xyloside" + ] + }, + { + "compound_id": "C02338", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m0/s1", + "name": "beta-L-Rhamnose", + "names": [ + "beta-6-Deoxy-L-mannose", + "beta-L-Mannomethylose", + "beta-L-Rhamnose" + ] + }, + { + "compound_id": "C02339", + "inchi": null, + "name": "m7G(5')pppR-RNA", + "names": [ + "m7G(5')pppR-RNA", + "mRNA containing an N7-methylguanine cap" + ] + }, + { + "compound_id": "C02341", + "inchi": "InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+", + "name": "trans-Aconitate", + "names": [ + "trans-Aconitate", + "trans-Aconitic acid" + ] + }, + { + "compound_id": "C02342", + "inchi": null, + "name": "'Activated' tRNA", + "names": [ + "'Activated' tRNA" + ] + }, + { + "compound_id": "C02343", + "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1", + "name": "(+)-Norephedrine", + "names": [ + "(+)-Norephedrine", + "Norephedrine", + "d-Norephedrine" + ] + }, + { + "compound_id": "C02344", + "inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3", + "name": "Fenchyl alcohol", + "names": [ + "(-)-endo-Fenchol", + "2-Fenchanol", + "Fenchyl alcohol" + ] + }, + { + "compound_id": "C02345", + "inchi": "InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13?,15-/m0/s1", + "name": "(2S)-Flavan-4-ol", + "names": [ + "(2S)-Flavan-4-ol" + ] + }, + { + "compound_id": "C02347", + "inchi": "InChI=1S/C42H73O39P/c43-1-8-15(48)23(56)29(62)37(71-8)77-32-21(54)12(5-47)73-39(31(32)64)78-34-26(59)18(51)11(4-46)75-41(34)80-33-25(58)17(50)10(3-45)74-40(33)68-6-13-20(53)27(60)35(79-38-30(63)24(57)16(49)9(2-44)72-38)42(76-13)81-82(66,67)69-7-14-19(52)22(55)28(61)36(65)70-14/h8-65H,1-7H2,(H,66,67)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32?,33?,34?,35?,36+,37?,38?,39?,40+,41?,42-/m1/s1", + "name": "Phosphomannan", + "names": [ + "Phosphomannan", + "Phosphomannan backbone" + ] + }, + { + "compound_id": "C02348", + "inchi": "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1", + "name": "(R)(-)-Allantoin", + "names": [ + "(R)(-)-Allantoin", + "(R)-Allantoin" + ] + }, + { + "compound_id": "C02350", + "inchi": "InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m0/s1", + "name": "(S)(+)-Allantoin", + "names": [ + "(S)(+)-Allantoin", + "(S)-Allantoin" + ] + }, + { + "compound_id": "C02351", + "inchi": "InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H", + "name": "o-Benzoquinone", + "names": [ + "1,2-Benzoquinone", + "o-Benzoquinone" + ] + }, + { + "compound_id": "C02352", + "inchi": null, + "name": "1,4-beta-D-Xylan", + "names": [ + "(1,4-beta-D-Xylan)n", + "(1,4-beta-D-Xylan)n+1", + "1,4-beta-D-Xylan" + ] + }, + { + "compound_id": "C02353", + "inchi": "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", + "name": "2',3'-Cyclic AMP", + "names": [ + "2',3'-Cyclic AMP" + ] + }, + { + "compound_id": "C02354", + "inchi": "InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1", + "name": "2',3'-Cyclic CMP", + "names": [ + "2',3'-Cyclic CMP" + ] + }, + { + "compound_id": "C02355", + "inchi": "InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7-,8-/m1/s1", + "name": "2',3'-Cyclic UMP", + "names": [ + "2',3'-Cyclic UMP" + ] + }, + { + "compound_id": "C02356", + "inchi": "InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1", + "name": "(S)-2-Aminobutanoate", + "names": [ + "(S)-2-Aminobutanoate", + "(S)-2-Aminobutanoic acid", + "(S)-2-Aminobutyric acid", + "l--amino-n-butyrate" + ] + }, + { + "compound_id": "C02357", + "inchi": "InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", + "name": "2-Chlorobenzoate", + "names": [ + "2-Chlorobenzoate", + "2-Chlorobenzoic acid", + "o-Chlorobenzoic acid" + ] + }, + { + "compound_id": "C02359", + "inchi": "InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", + "name": "2-Fluorobenzoate", + "names": [ + "2-Fluorobenzoate", + "2-Fluorobenzoic acid" + ] + }, + { + "compound_id": "C02360", + "inchi": "InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)", + "name": "2-Hydroxyadipate", + "names": [ + "2-Hydroxyadipate", + "2-Hydroxyadipic acid" + ] + }, + { + "compound_id": "C02362", + "inchi": "InChI=1S/C4H5NO4/c5-3(7)1-2(6)4(8)9/h1H2,(H2,5,7)(H,8,9)", + "name": "2-Oxosuccinamate", + "names": [ + "2-Oxosuccinamate", + "2-Oxosuccinamic acid", + "Oxaloacetamid", + "gamma-Aminooxaloacetate" + ] + }, + { + "compound_id": "C02363", + "inchi": "InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)", + "name": "3-Ethoxybenzoate", + "names": [ + "3-Ethoxybenzoate", + "3-Ethoxybenzoic acid" + ] + }, + { + "compound_id": "C02364", + "inchi": "InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", + "name": "3-Fluorobenzoate", + "names": [ + "3-Fluorobenzoate", + "3-Fluorobenzoic acid" + ] + }, + { + "compound_id": "C02366", + "inchi": "InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)", + "name": "3-Methyloxindole", + "names": [ + "1,3-Dihydro-3-methyl-2H-indol-2-one", + "3-Methyloxindole" + ] + }, + { + "compound_id": "C02367", + "inchi": "InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)", + "name": "3-Oxododecanoic acid", + "names": [ + "3-Oxododecanoate", + "3-Oxododecanoic acid" + ] + }, + { + "compound_id": "C02370", + "inchi": "InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", + "name": "4-Chlorobenzoate", + "names": [ + "4-Chlorobenzoate", + "4-Chlorobenzoic acid" + ] + }, + { + "compound_id": "C02371", + "inchi": "InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", + "name": "4-Fluorobenzoate", + "names": [ + "4-Fluorobenzoate", + "4-Fluorobenzoic acid" + ] + }, + { + "compound_id": "C02372", + "inchi": "InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2", + "name": "4-Hydroxyaniline", + "names": [ + "4-Aminobenzenol", + "4-Aminophenol", + "4-Hydroxyaniline", + "p-Aminophenol" + ] + }, + { + "compound_id": "C02373", + "inchi": "InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3", + "name": "4-Methylpentanal", + "names": [ + "4-Methylpentanal", + "Isocaproaldehyde", + "Isohexanal" + ] + }, + { + "compound_id": "C02374", + "inchi": null, + "name": "5'-Dephospho-DNA", + "names": [ + "5'-Dephospho-DNA" + ] + }, + { + "compound_id": "C02375", + "inchi": "InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H", + "name": "4-Chlorocatechol", + "names": [ + "4-Chlorocatechol" + ] + }, + { + "compound_id": "C02376", + "inchi": "InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)", + "name": "5-Methylcytosine", + "names": [ + "5-Methylcytosine" + ] + }, + { + "compound_id": "C02377", + "inchi": null, + "name": "5-Oxoprolyl-tRNA", + "names": [ + "5-Oxoprolyl-tRNA" + ] + }, + { + "compound_id": "C02378", + "inchi": "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)", + "name": "6-Aminohexanoate", + "names": [ + "6-Aminocaproic acid", + "6-Aminohexanoate", + "6-Aminohexanoic acid", + "Epsilcapramine" + ] + }, + { + "compound_id": "C02379", + "inchi": "InChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3/t5-/m1/s1", + "name": "6-Hydroxymellein", + "names": [ + "6-Hydroxymellein" + ] + }, + { + "compound_id": "C02380", + "inchi": "InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)", + "name": "6-Mercaptopurine", + "names": [ + "6-Mercaptopurine", + "Mercaptopurine" + ] + }, + { + "compound_id": "C02381", + "inchi": "InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3/t6-/m1/s1", + "name": "6-Methoxymellein", + "names": [ + "6-Methoxymellein" + ] + }, + { + "compound_id": "C02385", + "inchi": "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)", + "name": "Amino acid(Arg-)", + "names": [ + "2-Amino-5-guanidinovaleric acid", + "Amino acid(Arg-)", + "Arginine" + ] + }, + { + "compound_id": "C02389", + "inchi": "InChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H", + "name": "p-Benzosemiquinone", + "names": [ + "4-Hydroxyphenoxy radical", + "p-Benzosemiquinone" + ] + }, + { + "compound_id": "C02390", + "inchi": "InChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3/b4-3-", + "name": "Methylazoxymethanol", + "names": [ + "CH3-N(O)=N-CH2OH", + "Methylazoxymethanol" + ] + }, + { + "compound_id": "C02391", + "inchi": null, + "name": "Carboxylic ester", + "names": [ + "Carboxylic ester" + ] + }, + { + "compound_id": "C02394", + "inchi": "InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+", + "name": "Cinnamyl alcohol", + "names": [ + "3-Phenyl-2-propen-1-ol", + "Cinnamyl alcohol", + "Styrylcarbinol" + ] + }, + { + "compound_id": "C02395", + "inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2", + "name": "Cyclohex-2-enone", + "names": [ + "2-Cyclohexen-1-one", + "Cyclohex-2-enone" + ] + }, + { + "compound_id": "C02399", + "inchi": null, + "name": "D-Xylosylprotein", + "names": [ + "D-Xylosylprotein", + "O-beta-D-Xylosylprotein", + "Protein O-D-xyloside" + ] + }, + { + "compound_id": "C02400", + "inchi": "InChI=1S/C44H73NO17/c1-11-31-28(20-56-42-38(53)37(52)35(50)24(5)58-42)16-21(2)12-13-29(47)22(3)17-27(14-15-46)39(23(4)30(48)18-32(49)60-31)62-43-36(51)34(45(9)10)40(25(6)59-43)61-33-19-44(8,55)41(54)26(7)57-33/h12-13,15-16,22-28,30-31,33-43,48,50-55H,11,14,17-20H2,1-10H3/b13-12+,21-16+/t22-,23+,24-,25-,26+,27+,28-,30-,31-,33?,34-,35-,36-,37-,38-,39?,40-,41+,42-,43?,44-/m1/s1", + "name": "Demethylmacrocin", + "names": [ + "2'''-O-Demethyllactenocin", + "Demethylmacrocin" + ] + }, + { + "compound_id": "C02401", + "inchi": null, + "name": "Dialkylarylamine", + "names": [ + "Dialkylarylamine" + ] + }, + { + "compound_id": "C02403", + "inchi": null, + "name": "Fatty acid anion", + "names": [ + "Alkanate", + "Alkane acid", + "Fatty acid anion" + ] + }, + { + "compound_id": "C02404", + "inchi": null, + "name": "Fibrinopeptide B", + "names": [ + "Fibrinopeptide B" + ] + }, + { + "compound_id": "C02405", + "inchi": "InChI=1S/CH3O5P/c2-1-6-7(3,4)5/h1H,(H2,3,4,5)", + "name": "Formyl phosphate", + "names": [ + "Formyl phosphate" + ] + }, + { + "compound_id": "C02410", + "inchi": null, + "name": "Glucosylated DNA", + "names": [ + "Glucosylated DNA" + ] + }, + { + "compound_id": "C02411", + "inchi": "InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b5-3+/t14-,19-,20-,21?,25-/m1/s1", + "name": "Glutaconyl-1-CoA", + "names": [ + "4-Carboxybut-2-enoyl-CoA", + "Glutaconyl-1-CoA" + ] + }, + { + "compound_id": "C02412", + "inchi": null, + "name": "Glycyl-tRNA(Gly)", + "names": [ + "Glycyl-tRNA(Gly)" + ] + }, + { + "compound_id": "C02413", + "inchi": "InChI=1S/C13H24O7/c1-2-3-4-5-6-9(15)20-13-12(18)11(17)10(16)8(7-14)19-13/h8,10-14,16-18H,2-7H2,1H3/t8-,10-,11+,12-,13+/m1/s1", + "name": "Heptopyranosides", + "names": [ + "Heptopyranosides" + ] + }, + { + "compound_id": "C02415", + "inchi": null, + "name": "Histone-L-lysine", + "names": [ + "Histone-L-lysine" + ] + }, + { + "compound_id": "C02419", + "inchi": "InChI=1S/C3H9N3O2S/c4-3(5)6-1-2-9(7)8/h1-2H2,(H,7,8)(H4,4,5,6)", + "name": "Hypotaurocyamine", + "names": [ + "Hypotaurocyamine" + ] + }, + { + "compound_id": "C02420", + "inchi": "InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3", + "name": "Isobutyronitrile", + "names": [ + "Isobutyronitrile" + ] + }, + { + "compound_id": "C02421", + "inchi": "InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)", + "name": "Isonicotineamide", + "names": [ + "Isonicotinamide", + "Isonicotineamide" + ] + }, + { + "compound_id": "C02424", + "inchi": null, + "name": "L-Arginine ester", + "names": [ + "L-Arginine ester" + ] + }, + { + "compound_id": "C02426", + "inchi": "InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1", + "name": "L-Glyceraldehyde", + "names": [ + "L-2,3-Dihydroxypropanal", + "L-2,3-Dihydroxypropionaldehyde", + "L-Aldotriose", + "L-Glyceraldehyde", + "L-Glycerose" + ] + }, + { + "compound_id": "C02427", + "inchi": "InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1", + "name": "L-Homocitrulline", + "names": [ + "L-Homocitrulline" + ] + }, + { + "compound_id": "C02429", + "inchi": null, + "name": "L-Leucyl-protein", + "names": [ + "L-Leucyl-protein" + ] + }, + { + "compound_id": "C02430", + "inchi": null, + "name": "L-Methionyl-tRNA", + "names": [ + "L-Methionyl-tRNA", + "L-Methionyl-tRNA(Met)" + ] + }, + { + "compound_id": "C02431", + "inchi": "InChI=1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4+,5-,6?/m0/s1", + "name": "L-Rhamnofuranose", + "names": [ + "L-Rhamnofuranose" + ] + }, + { + "compound_id": "C02434", + "inchi": null, + "name": "Long-chain ester", + "names": [ + "Long-chain ester" + ] + }, + { + "compound_id": "C02436", + "inchi": null, + "name": "Methylated amine", + "names": [ + "Methylated amine" + ] + }, + { + "compound_id": "C02440", + "inchi": null, + "name": "N-Desulfoheparin", + "names": [ + "Heparamine", + "N-Desulfoheparin" + ] + }, + { + "compound_id": "C02441", + "inchi": "InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3", + "name": "N-Ethylmaleimide", + "names": [ + "N-Ethylmaleimide" + ] + }, + { + "compound_id": "C02442", + "inchi": "InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3", + "name": "N-Methyltyramine", + "names": [ + "N-Methyltyramine" + ] + }, + { + "compound_id": "C02444", + "inchi": null, + "name": "N6-Acyl-L-lysine", + "names": [ + "N6-Acyl-L-lysine" + ] + }, + { + "compound_id": "C02445", + "inchi": "InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3", + "name": "Nonane-4,6-dione", + "names": [ + "Nonane-4,6-dione" + ] + }, + { + "compound_id": "C02446", + "inchi": null, + "name": "O-Alkylglycerone", + "names": [ + "O-Alkylglycerone" + ] + }, + { + "compound_id": "C02447", + "inchi": null, + "name": "O-Methylated RNA", + "names": [ + "O-Methylated RNA" + ] + }, + { + "compound_id": "C02451", + "inchi": "InChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b6-5+/t15-,19-,20-,21?,25-/m1/s1", + "name": "Pent-2-enoyl-CoA", + "names": [ + "Pent-2-enoyl-CoA" + ] + }, + { + "compound_id": "C02452", + "inchi": "InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1", + "name": "Perillyl alcohol", + "names": [ + "(-)-Perillyl alcohol", + "(-)-Perillylalcohol", + "Perillyl alcohol", + "p-Mentha-1,8-dien-7-ol" + ] + }, + { + "compound_id": "C02453", + "inchi": "InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3", + "name": "Phenolic steroid", + "names": [ + "Phenolic steroid" + ] + }, + { + "compound_id": "C02454", + "inchi": "InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2", + "name": "Phenylenediamine", + "names": [ + "1,3-Benzenediamine", + "Benzenediamine", + "Diaminobenzene", + "Phenylenediamine", + "m-Diaminobenzene", + "m-Phenylenediamine", + "meta-Phenylenediamine" + ] + }, + { + "compound_id": "C02455", + "inchi": "InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3", + "name": "1-Phenylethylamine", + "names": [ + "1-Phenylethylamine", + "alpha-Methylbenzylamine", + "alpha-Phenylethylamine" + ] + }, + { + "compound_id": "C02456", + "inchi": null, + "name": "Phosphorhodopsin", + "names": [ + "Phosphorhodopsin" + ] + }, + { + "compound_id": "C02457", + "inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2", + "name": "Propane-1,3-diol", + "names": [ + "1,3-Propanediol", + "Propane-1,3-diol", + "Trimethylene glycol" + ] + }, + { + "compound_id": "C02461", + "inchi": null, + "name": "Protein Cys-Cys", + "names": [ + "Protein Cys-Cys" + ] + }, + { + "compound_id": "C02462", + "inchi": "InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1", + "name": "Sabinene hydrate", + "names": [ + "Sabinene hydrate" + ] + }, + { + "compound_id": "C02463", + "inchi": "InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-/t23-,24-,41+,42+/m1/s1", + "name": "Precorrin 2", + "names": [ + "Dihydrosirohydrochlorin", + "Precorrin 2" + ] + }, + { + "compound_id": "C02465", + "inchi": "InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1", + "name": "Triiodothyronine", + "names": [ + "3,3'5-Triiodo-L-thyronine", + "3,5,3'-Triiodo-L-thyronine", + "3,5,3'-Triiodothyronine", + "L-3,5,3'-Triiodothyronine", + "Liothyronine", + "T3", + "Triiodothyronine" + ] + }, + { + "compound_id": "C02466", + "inchi": "InChI=1S/H3O9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h(H,1,2)(H,3,4)(H,5,6)", + "name": "Trimetaphosphoric acid", + "names": [ + "Trimetaphosphate", + "Trimetaphosphoric acid", + "cyclo-Triphosphoric acid" + ] + }, + { + "compound_id": "C02467", + "inchi": "InChI=1S/C15H25N3O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1", + "name": "UDP-galactosamine", + "names": [ + "UDP-galactosamine" + ] + }, + { + "compound_id": "C02469", + "inchi": "InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-", + "name": "Uroporphyrin III", + "names": [ + "Uroporphyrin III" + ] + }, + { + "compound_id": "C02470", + "inchi": "InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)", + "name": "Xanthurenic acid", + "names": [ + "Xanthurenate", + "Xanthurenic acid" + ] + }, + { + "compound_id": "C02471", + "inchi": "", + "name": "[Glu(-Cys)]n-Gly", + "names": [ + "[Glu(-Cys)]n-Gly" + ] + }, + { + "compound_id": "C02472", + "inchi": null, + "name": "alpha-D-Fucoside", + "names": [ + "alpha-D-Fucoside" + ] + }, + { + "compound_id": "C02473", + "inchi": null, + "name": "alpha-D-Lyxoside", + "names": [ + "alpha-D-Lyxoside" + ] + }, + { + "compound_id": "C02474", + "inchi": null, + "name": "Arabinan", + "names": [ + "Arabinan", + "alpha-L-Araban", + "alpha-L-Arabinan" + ] + }, + { + "compound_id": "C02475", + "inchi": null, + "name": "alpha-L-Fucoside", + "names": [ + "alpha-L-Fucoside" + ] + }, + { + "compound_id": "C02476", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1", + "name": "alpha-L-Rhamnose", + "names": [ + "alpha-6-Deoxy-L-mannose", + "alpha-L-Mannomethylose", + "alpha-L-Rhamnose" + ] + }, + { + "compound_id": "C02477", + "inchi": "InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1", + "name": "alpha-Tocopherol", + "names": [ + "Vitamin E", + "alpha-Tocopherol" + ] + }, + { + "compound_id": "C02478", + "inchi": null, + "name": "beta-D-Mannoside", + "names": [ + "beta-D-Mannoside" + ] + }, + { + "compound_id": "C02479", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1", + "name": "beta-L-Arabinose", + "names": [ + "beta-L-Arabinose" + ] + }, + { + "compound_id": "C02480", + "inchi": "InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-", + "name": "cis,cis-Muconate", + "names": [ + "cis,cis-2,4-Hexadienedioic acid", + "cis,cis-Hexadienedioate", + "cis,cis-Muconate", + "cis-cis-Hexadienedioate", + "cis-cis-hexadienedioate" + ] + }, + { + "compound_id": "C02483", + "inchi": "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1", + "name": "gamma-Tocopherol", + "names": [ + "gamma-Tocopherol" + ] + }, + { + "compound_id": "C02484", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3/t8-,10+/m1/s1", + "name": "(+)-trans-Pulegol", + "names": [ + "(+)-trans-Pulegol" + ] + }, + { + "compound_id": "C02485", + "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1", + "name": "(-)-Isopiperitenone", + "names": [ + "(-)-(4R)-Isopiperitenone", + "(-)-Isopiperitenone" + ] + }, + { + "compound_id": "C02486", + "inchi": "InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1", + "name": "(3R)-beta-Leucine", + "names": [ + "(3R)-3-Amino-4-methylpentanoic acid", + "(3R)-3-Amino-4-methylvaleric acid", + "(3R)-beta-Leucine" + ] + }, + { + "compound_id": "C02487", + "inchi": "InChI=1S/C13H23N3O5/c1-8(13(20)21)15-12(19)11(16-10(3)18)6-4-5-7-14-9(2)17/h8,11H,4-7H2,1-3H3,(H,14,17)(H,15,19)(H,16,18)(H,20,21)/t8-,11+/m1/s1", + "name": "(Ac)2-L-Lys-D-Ala", + "names": [ + "(Ac)2-L-Lys-D-Ala", + "(Ac)2-L-lysyl-D-alanine" + ] + }, + { + "compound_id": "C02488", + "inchi": "InChI=1S/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m1/s1", + "name": "(R)-2-Ethylmalate", + "names": [ + "(R)-2-Ethylmalate" + ] + }, + { + "compound_id": "C02489", + "inchi": null, + "name": "(R)-2-Hydroxyacid", + "names": [ + "(R)-2-Hydroxyacid" + ] + }, + { + "compound_id": "C02490", + "inchi": null, + "name": "1,2-beta-D-Glucan", + "names": [ + "1,2-beta-D-Glucan" + ] + }, + { + "compound_id": "C02492", + "inchi": null, + "name": "1,4-beta-D-Mannan", + "names": [ + "1,4-beta-D-Mannan" + ] + }, + { + "compound_id": "C02493", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17-,18-/m1/s1", + "name": "1,6-beta-D-Glucan", + "names": [ + "1,6-beta-D-Glucan" + ] + }, + { + "compound_id": "C02494", + "inchi": "InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1", + "name": "1-Methyladenosine", + "names": [ + "1-Methyladenosine" + ] + }, + { + "compound_id": "C02495", + "inchi": "InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H", + "name": "2'-Hydroxydaidzein", + "names": [ + "2'-Hydroxydaidzein", + "3-(2,4-Dihydroxyphenyl)-7-hydroxychromen-4-one" + ] + }, + { + "compound_id": "C02496", + "inchi": "InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H", + "name": "2,4-Dinitrophenol", + "names": [ + "2,4-Dinitrophenol" + ] + }, + { + "compound_id": "C02497", + "inchi": "InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2", + "name": "2-Butyne-1,4-diol", + "names": [ + "1,4-Butynediol", + "2-Butyne-1,4-diol" + ] + }, + { + "compound_id": "C02498", + "inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3", + "name": "2-Ethylhexan-1-ol", + "names": [ + "2-Ethyl-1-hexanol", + "2-Ethylhexan-1-ol" + ] + }, + { + "compound_id": "C02499", + "inchi": "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H", + "name": "2-Hydroxybiphenyl", + "names": [ + "2-Biphenylol", + "2-Hydroxybiphenyl", + "2-Phenylphenol", + "Orthophenyl phenol" + ] + }, + { + "compound_id": "C02501", + "inchi": "InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b3-1-,4-2+", + "name": "2-Hydroxymuconate", + "names": [ + "2-Hydroxymuconate" + ] + }, + { + "compound_id": "C02502", + "inchi": "InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)", + "name": "2-Hydroxypyridine", + "names": [ + "2-Hydroxypyridine", + "2-Pyridinol", + "2-Pyridone" + ] + }, + { + "compound_id": "C02504", + "inchi": "InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1", + "name": "alpha-Isopropylmalate", + "names": [ + "(2S)-2-Hydroxy-2-isopropylsuccinic acid", + "(2S)-2-Isopropylmalate", + "2-Isopropylmalic acid", + "3-Carboxy-3-hydroxy-4-methylpentanoate", + "3-Carboxy-3-hydroxyisocaproate", + "alpha-Isopropylmalate" + ] + }, + { + "compound_id": "C02505", + "inchi": "InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)", + "name": "2-Phenylacetamide", + "names": [ + "2-Phenylacetamide", + "alpha-Phenylacetamide" + ] + }, + { + "compound_id": "C02506", + "inchi": null, + "name": "21-Hydroxysteroid", + "names": [ + "21-Hydroxysteroid" + ] + }, + { + "compound_id": "C02507", + "inchi": "InChI=1S/C10H12N5O6P/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4-5(20-6)2-19-22(17,18)21-4/h3-6H,1-2H2,(H,17,18)(H3,11,13,14,16)/t4-,5+,6+/m0/s1", + "name": "3',5'-Cyclic dGMP", + "names": [ + "3',5'-Cyclic dGMP" + ] + }, + { + "compound_id": "C02508", + "inchi": null, + "name": "3'-Ribonucleotide", + "names": [ + "3'-Nucleoside monophosphate", + "3'-Phosphomononucleotides", + "3'-Ribonucleotide" + ] + }, + { + "compound_id": "C02509", + "inchi": "InChI=1S/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5?,6-,8-,9-,12-/m1/s1", + "name": "3-(ADP)-glycerate", + "names": [ + "3-(ADP)-glycerate" + ] + }, + { + "compound_id": "C02512", + "inchi": "InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1", + "name": "3-Cyano-L-alanine", + "names": [ + "3-Cyano-L-alanine", + "L-3-Cyanoalanine", + "L-beta-Cyanoalanine" + ] + }, + { + "compound_id": "C02513", + "inchi": "InChI=1S/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3/t15-,16+,17?,19-,20?,23-,25+,26+,27+/m0/s1", + "name": "3-Dehydroecdysone", + "names": [ + "3-Dehydroecdysone" + ] + }, + { + "compound_id": "C02514", + "inchi": "InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1+", + "name": "3-Fumarylpyruvate", + "names": [ + "3-Fumarylpyruvate" + ] + }, + { + "compound_id": "C02515", + "inchi": "InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1", + "name": "3-Iodo-L-tyrosine", + "names": [ + "3-Iodo-L-tyrosine" + ] + }, + { + "compound_id": "C02517", + "inchi": "InChI=1S/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1", + "name": "3-Oxohexobarbital", + "names": [ + "3-Oxohexobarbital" + ] + }, + { + "compound_id": "C02518", + "inchi": "InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)", + "name": "4-Aminosalicylate", + "names": [ + "4-Aminosalicylate", + "4-Aminosalicylic acid" + ] + }, + { + "compound_id": "C02519", + "inchi": "InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)", + "name": "4-Methoxybenzoate", + "names": [ + "4-Anisic acid", + "4-Methoxybenzoate", + "4-Methoxybenzoic acid" + ] + }, + { + "compound_id": "C02520", + "inchi": null, + "name": "5'-Ribonucleotide", + "names": [ + "5'-Ribonucleotide" + ] + }, + { + "compound_id": "C02521", + "inchi": null, + "name": "5S-rRNA precursor", + "names": [ + "5S-rRNA precursor" + ] + }, + { + "compound_id": "C02522", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6?/m1/s1", + "name": "6-Deoxy-D-glucose", + "names": [ + "6-Deoxy-D-glucose", + "D-Chinovose", + "D-Epifucose", + "D-Glucomethylose", + "D-Quinovose", + "Isorhamnose", + "Isorhodeose" + ] + }, + { + "compound_id": "C02525", + "inchi": null, + "name": "Aliphatic alcohol", + "names": [ + "Aliphatic alcohol" + ] + }, + { + "compound_id": "C02526", + "inchi": "InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H", + "name": "Biphenyl-2,3-diol", + "names": [ + "2,3-Dihydroxybiphenyl", + "3-Phenylcatechol", + "Biphenyl-2,3-diol" + ] + }, + { + "compound_id": "C02527", + "inchi": "InChI=1S/C4H9O5P/c1-2-3-4(5)9-10(6,7)8/h2-3H2,1H3,(H2,6,7,8)", + "name": "Butanoylphosphate", + "names": [ + "Butanoyl phosphate", + "Butanoylphosphate" + ] + }, + { + "compound_id": "C02528", + "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1", + "name": "Chenodeoxycholate", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-cholanic acid", + "Chenodeoxycholate", + "Chenodeoxycholic acid", + "Chenodiol" + ] + }, + { + "compound_id": "C02530", + "inchi": null, + "name": "Cholesterol ester", + "names": [ + "Cholesterol ester" + ] + }, + { + "compound_id": "C02532", + "inchi": "InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1", + "name": "O-Phospho-D-serine", + "names": [ + "D-O-Phosphoserine", + "O-Phospho-D-serine" + ] + }, + { + "compound_id": "C02533", + "inchi": "InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1", + "name": "Dehydrovomifoliol", + "names": [ + "(6R)-6-Hydroxy-3-oxo-alpha-ionone", + "Dehydrovomifoliol" + ] + }, + { + "compound_id": "C02534", + "inchi": null, + "name": "Dialkyl phosphate", + "names": [ + "Dialkyl phosphate" + ] + }, + { + "compound_id": "C02535", + "inchi": "InChI=1S/C2H6Se/c1-3-2/h1-2H3", + "name": "Dimethyl selenide", + "names": [ + "Dimethyl selenide" + ] + }, + { + "compound_id": "C02536", + "inchi": "InChI=1S/C41H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-33-41(42)43-35-34-40(7)32-24-31-39(6)30-23-29-38(5)28-22-27-37(4)26-21-25-36(2)3/h25,27,29,31,40H,8-24,26,28,30,32-35H2,1-7H3/b37-27+,38-29+,39-31-", + "name": "Dolichyl palmitate", + "names": [ + "Dolichyl palmitate" + ] + }, + { + "compound_id": "C02537", + "inchi": "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1", + "name": "Estradiol-17alpha", + "names": [ + "17alpha-Estradiol", + "Estradiol-17alpha" + ] + }, + { + "compound_id": "C02538", + "inchi": "InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1", + "name": "Estrone 3-sulfate", + "names": [ + "Estrone 3-sulfate" + ] + }, + { + "compound_id": "C02539", + "inchi": "InChI=1S/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2", + "name": "Fenoprofen calcium", + "names": [ + "Fenoprofen calcium" + ] + }, + { + "compound_id": "C02543", + "inchi": "InChI=1S/C3H6O6S/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H,6,7,8)", + "name": "Glycerone sulfate", + "names": [ + "Dihydroxyacetone sulfate", + "Glycerone sulfate" + ] + }, + { + "compound_id": "C02545", + "inchi": null, + "name": "Glycosaminoglycan", + "names": [ + "Glycosaminoglycan" + ] + }, + { + "compound_id": "C02546", + "inchi": null, + "name": "Glycyl amino acid", + "names": [ + "Glycyl amino acid" + ] + }, + { + "compound_id": "C02548", + "inchi": "InChI=1S/C10H12N2/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6,11H2", + "name": "2-(2-Aminoethyl)indole", + "names": [ + "2-(2-Aminoethyl)indole" + ] + }, + { + "compound_id": "C02549", + "inchi": "InChI=1S/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3", + "name": "Kievitone hydrate", + "names": [ + "Kievitone hydrate" + ] + }, + { + "compound_id": "C02553", + "inchi": null, + "name": "L-Seryl-tRNA(Ser)", + "names": [ + "L-Seryl-tRNA(Ser)", + "L-seryl-tRNA-ser", + "l-seryl-trna-ser" + ] + }, + { + "compound_id": "C02554", + "inchi": null, + "name": "L-Valyl-tRNA(Val)", + "names": [ + "L-Valyl-tRNA(Val)", + "l-valyl-trna-val" + ] + }, + { + "compound_id": "C02555", + "inchi": "InChI=1S/C26H21N3O5S/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)34-35(31,32)33)16-19-9-5-2-6-10-19/h1-14,17,30H,15-16H2,(H,31,32,33)", + "name": "Luciferyl sulfate", + "names": [ + "Luciferyl sulfate" + ] + }, + { + "compound_id": "C02557", + "inchi": "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18?,22-/m1/s1", + "name": "Methylmalonyl-CoA", + "names": [ + "2-Methylmalonyl-CoA", + "Methylmalonyl coenzyme A", + "Methylmalonyl-CoA" + ] + }, + { + "compound_id": "C02560", + "inchi": "InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3", + "name": "N-Acetylimidazole", + "names": [ + "1-Acetyl-1H-imidazole", + "N-Acetylimidazole" + ] + }, + { + "compound_id": "C02562", + "inchi": null, + "name": "N-Acyl-L-arginine", + "names": [ + "N-Acyl-L-arginine" + ] + }, + { + "compound_id": "C02564", + "inchi": "InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+", + "name": "N-Feruloylglycine", + "names": [ + "N-Feruloylglycine", + "N-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]glycine" + ] + }, + { + "compound_id": "C02565", + "inchi": "InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)", + "name": "N-Methylhydantoin", + "names": [ + "N-Methylhydantoin", + "N-Methylimidazolidine-2,4-dione" + ] + }, + { + "compound_id": "C02567", + "inchi": "InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)", + "name": "N1-Acetylspermine", + "names": [ + "N1-Acetylspermine" + ] + }, + { + "compound_id": "C02569", + "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-", + "name": "Neryl diphosphate", + "names": [ + "Neryl diphosphate", + "Neryl pyrophosphate" + ] + }, + { + "compound_id": "C02571", + "inchi": "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1/t8-/m1/s1", + "name": "O-Acetylcarnitine", + "names": [ + "O-Acetyl-L-carnitine", + "O-Acetylcarnitine", + "l-acetylcarnitine" + ] + }, + { + "compound_id": "C02572", + "inchi": "InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1", + "name": "5-O-Feruloylquinic acid", + "names": [ + "3-O-Feruloylquinic acid", + "5-O-Feruloylquinic acid", + "O-Feruloylquinate" + ] + }, + { + "compound_id": "C02574", + "inchi": "InChI=1S/C25H44N13O13P/c26-3-1-2-10(27)4-16(40)32-12-6-30-23(46)18(11-5-17(41)37-24(28)36-11)38-20(43)13(7-31-25(29)47)33-21(44)14(8-39)34-22(45)15(35-19(12)42)9-51-52(48,49)50/h7,10-12,14-15,17-18,39,41H,1-6,8-9,26-27H2,(H,30,46)(H,32,40)(H,33,44)(H,34,45)(H,35,42)(H,38,43)(H3,28,36,37)(H3,29,31,47)(H2,48,49,50)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1", + "name": "O-Phosphoviomycin", + "names": [ + "O-Phosphoviomycin" + ] + }, + { + "compound_id": "C02575", + "inchi": "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H", + "name": "Pentachlorophenol", + "names": [ + "PCP", + "Pentachlorophenol" + ] + }, + { + "compound_id": "C02576", + "inchi": "InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3", + "name": "Perillyl aldehyde", + "names": [ + "Perillaldehyde", + "Perillyl aldehyde" + ] + }, + { + "compound_id": "C02577", + "inchi": "InChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-58-20(38)13-49-17-6-4-3-5-7-17)14-51-57(47,48)54-56(45,46)50-12-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24?,28-/m1/s1", + "name": "Phenoxyacetyl-CoA", + "names": [ + "Phenoxyacetyl-CoA" + ] + }, + { + "compound_id": "C02578", + "inchi": "InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1", + "name": "Phenylgalactoside", + "names": [ + "Phenylgalactoside" + ] + }, + { + "compound_id": "C02579", + "inchi": null, + "name": "Polygalacturonide", + "names": [ + "Polygalacturonide" + ] + }, + { + "compound_id": "C02581", + "inchi": "InChI=1S/C8H18N4O/c1-2-7(13)11-5-3-4-6-12-8(9)10/h2-6H2,1H3,(H,11,13)(H4,9,10,12)", + "name": "Propanoylagmatine", + "names": [ + "Propanoylagmatine", + "Propionylagmatine" + ] + }, + { + "compound_id": "C02582", + "inchi": null, + "name": "Protein disulfide", + "names": [ + "Protein disulfide" + ] + }, + { + "compound_id": "C02583", + "inchi": null, + "name": "Protein glutamine", + "names": [ + "Protein L-glutamine", + "Protein glutamine" + ] + }, + { + "compound_id": "C02587", + "inchi": "InChI=1S/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)", + "name": "Pyrimidodiazepine", + "names": [ + "Pyrimidodiazepine" + ] + }, + { + "compound_id": "C02588", + "inchi": "InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+", + "name": "Retinyl palmitate", + "names": [ + "Retinol palmitate", + "Retinyl palmitate", + "Vitamin A palmitate", + "all-trans-Retinyl palmitate" + ] + }, + { + "compound_id": "C02589", + "inchi": null, + "name": "S-Acylglutathione", + "names": [ + "S-Acylglutathione" + ] + }, + { + "compound_id": "C02590", + "inchi": "InChI=1S/C18H24O4S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H,19,20,21)", + "name": "Steroid O-sulfate", + "names": [ + "Phenolic steroid O-sulfate", + "Steroid O-sulfate" + ] + }, + { + "compound_id": "C02591", + "inchi": "InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1", + "name": "Sucrose 6'-phosphate", + "names": [ + "Sucrose 6'-phosphate", + "Sucrose 6F-phosphate" + ] + }, + { + "compound_id": "C02592", + "inchi": "InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1", + "name": "Taurolithocholate", + "names": [ + "Taurolithocholate", + "Taurolithocholic acid" + ] + }, + { + "compound_id": "C02593", + "inchi": "InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30?,34-/m1/s1", + "name": "Tetradecanoyl-CoA", + "names": [ + "Myristoyl-CoA", + "Tetradecanoyl-CoA" + ] + }, + { + "compound_id": "C02595", + "inchi": "InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)", + "name": "Thien-2-ylacetate", + "names": [ + "2-Thienylacetic acid", + "2-Thiopheneacetic acid", + "Thien-2-ylacetate" + ] + }, + { + "compound_id": "C02596", + "inchi": "InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3", + "name": "Tolylacetonitrile", + "names": [ + "2-Methylbezeneacetonitrile", + "Tolylacetonitrile", + "o-Methylbenzyl cyanide", + "o-Tolylacetonitrile" + ] + }, + { + "compound_id": "C02601", + "inchi": null, + "name": "[Pyruvate kinase]", + "names": [ + "[Pyruvate kinase]" + ] + }, + { + "compound_id": "C02603", + "inchi": null, + "name": "alpha-D-Mannoside", + "names": [ + "alpha-D-Mannoside" + ] + }, + { + "compound_id": "C02604", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1", + "name": "alpha-L-Arabinose", + "names": [ + "alpha-L-Arabinose" + ] + }, + { + "compound_id": "C02605", + "inchi": null, + "name": "beta-L-Rhamnoside", + "names": [ + "beta-L-Rhamnoside" + ] + }, + { + "compound_id": "C02607", + "inchi": null, + "name": "kappa-Carrageenan", + "names": [ + "kappa-Carrageenan" + ] + }, + { + "compound_id": "C02611", + "inchi": "InChI=1S/C33H44N7O19P3S/c1-33(2,28(44)31(45)36-10-9-23(41)35-11-12-63-24(42)6-4-3-5-19-7-8-20-21(13-19)54-18-53-20)15-56-62(51,52)59-61(49,50)55-14-22-27(58-60(46,47)48)26(43)32(57-22)40-17-39-25-29(34)37-16-38-30(25)40/h3-8,13,16-17,22,26-28,32,43-44H,9-12,14-15,18H2,1-2H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b5-3+,6-4+/t22-,26-,27-,28?,32-/m1/s1", + "name": "(E,E)-Piperoyl-CoA", + "names": [ + "(E,E)-Piperoyl-CoA" + ] + }, + { + "compound_id": "C02612", + "inchi": "InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m1/s1", + "name": "(R)-2-Methylmalate", + "names": [ + "(2R)-2-Hydroxy-2-methylbutanedioate", + "(3R)-Citramalate", + "(3R)-Citramalic acid", + "(3R)-alpha-Hydroxypyrotartaric acid", + "(R)-2-Methylmalate", + "(R)-2-Methylmalic acid", + "D-Citramalate", + "D-Citramalic acid", + "D-alpha-Hydroxypyrotartaric acid" + ] + }, + { + "compound_id": "C02614", + "inchi": "InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m0/s1", + "name": "(S)-2-Methylmalate", + "names": [ + "(2S)-2-Hydroxy-2-methylbutanedioate", + "(3S)-Citramalate", + "(3S)-Citramalic acid", + "(3S)-alpha-Hydroxypyrotartaric acid", + "(S)-2-Hydroxy-2-methylsuccinic acid", + "(S)-2-Methylmalate", + "(S)-2-Methylmalic acid", + "(S)-Citramalic acid", + "L-Citramalate", + "L-Citramalic acid", + "L-alpha-Hydroxypyrotartaric acid", + "S-Citramalate", + "S-Citramalic acid", + "S-alpha-Hydroxypyrotartaric acid" + ] + }, + { + "compound_id": "C02615", + "inchi": "InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1", + "name": "(S)-Mandelonitrile", + "names": [ + "(S)-Benzaldehyde cyanohydrin", + "(S)-Mandelonitrile" + ] + }, + { + "compound_id": "C02616", + "inchi": null, + "name": "1,3-alpha-D-Glucan", + "names": [ + "1,3-alpha-D-Glucan", + "[alpha-D-Glucosyl-(1,3)]n", + "[alpha-D-Glucosyl-(1,3)]n+1" + ] + }, + { + "compound_id": "C02617", + "inchi": "InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H", + "name": "1,4-Naphthoquinone", + "names": [ + "1,4-Naphthalenedione", + "1,4-Naphthoquinone" + ] + }, + { + "compound_id": "C02621", + "inchi": "InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10?,11?,12-,13+,14-/m0/s1", + "name": "13-Hydroxylupanine", + "names": [ + "(+)-13alpha-Hydroxylupanine", + "13-Hydroxylupanine", + "13-Hydroxylupinine" + ] + }, + { + "compound_id": "C02623", + "inchi": null, + "name": "2,2-Dialkylglycine", + "names": [ + "2,2-Dialkylglycine" + ] + }, + { + "compound_id": "C02625", + "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H", + "name": "2,4-Dichlorophenol", + "names": [ + "2,4-Dichlorophenol" + ] + }, + { + "compound_id": "C02627", + "inchi": "InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-", + "name": "2-Deoxystreptamine", + "names": [ + "2-Deoxystreptamine" + ] + }, + { + "compound_id": "C02628", + "inchi": "InChI=1S/C8H18N6O3/c9-7(10)13-2-1-3(14-8(11)12)5(16)6(17)4(2)15/h2-6,15-17H,1H2,(H4,9,10,13)(H4,11,12,14)/t2-,3+,4+,5-,6-", + "name": "2-Deoxystreptidine", + "names": [ + "2-Deoxystreptidine", + "N,N'-Bis(aminoiminomethyl)-2-deoxy-streptamine" + ] + }, + { + "compound_id": "C02630", + "inchi": "InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)", + "name": "2-Hydroxyglutarate", + "names": [ + "2-Hydroxyglutarate", + "alpha-Hydroxyglutarate" + ] + }, + { + "compound_id": "C02631", + "inchi": "InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3+", + "name": "2-Isopropylmaleate", + "names": [ + "2-Isopropylmaleate", + "beta-Isopropylmaleate" + ] + }, + { + "compound_id": "C02632", + "inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)", + "name": "2-Methylpropanoate", + "names": [ + "2-Methylpropanoate", + "2-Methylpropanoic acid", + "Dimethylacetic acid", + "Isobutanoate", + "Isobutyrate", + "Isobutyric acid" + ] + }, + { + "compound_id": "C02633", + "inchi": "InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15?,17-,19+,20-,21-,22?,24+,25+,26?,27+/m0/s1", + "name": "20-Hydroxyecdysone", + "names": [ + "20-Hydroxyecdysone", + "Crustecdysone", + "Ecdysterone" + ] + }, + { + "compound_id": "C02634", + "inchi": "InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1", + "name": "3-Chloro-D-alanine", + "names": [ + "3-Chloro-D-alanine" + ] + }, + { + "compound_id": "C02635", + "inchi": "InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1", + "name": "3-Chloro-L-alanine", + "names": [ + "3-Chloro-L-alanine" + ] + }, + { + "compound_id": "C02636", + "inchi": "InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3/p+1", + "name": "3-Dehydrocarnitine", + "names": [ + "3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium", + "3-Dehydrocarnitine" + ] + }, + { + "compound_id": "C02637", + "inchi": "InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1", + "name": "3-Dehydroshikimate", + "names": [ + "3-Dehydroshikimate" + ] + }, + { + "compound_id": "C02638", + "inchi": "InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1", + "name": "3-Fluoro-D-alanine", + "names": [ + "(S)-3-Fluoroalanine", + "3-Fluoro-D-alanine" + ] + }, + { + "compound_id": "C02639", + "inchi": "InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(9)8(7)10/h2-5H,1H3,(H,9,10)", + "name": "3-Methoxytropolone", + "names": [ + "3-Methoxytropolone" + ] + }, + { + "compound_id": "C02640", + "inchi": "InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3", + "name": "3-Methylbutanamine", + "names": [ + "3-Methylbutanamine", + "Isoamylamine", + "Isopentylamine" + ] + }, + { + "compound_id": "C02642", + "inchi": "InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)", + "name": "3-Ureidopropionate", + "names": [ + "3-Ureidopropanoate", + "3-Ureidopropionate", + "3-ureidopropanoic acid", + "N-Carbamoyl-beta-alanine", + "beta-Ureidopropionic acid" + ] + }, + { + "compound_id": "C02645", + "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(23-18)16-17-20(21)22/h6-7,9-14,18-19H,2-5,8,15-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,14-13+/t18-,19-/m1/s1", + "name": "4,5-Leukotriene A4", + "names": [ + "4,5-Leukotriene A4" + ] + }, + { + "compound_id": "C02646", + "inchi": "InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+", + "name": "4-Coumaryl alcohol", + "names": [ + "4-Coumaryl alcohol", + "4-Hydroxycinnamyl alcohol", + "p-Coumaryl alcohol" + ] + }, + { + "compound_id": "C02647", + "inchi": "InChI=1S/C5H11N3O/c6-5(7)8-3-1-2-4-9/h4H,1-3H2,(H4,6,7,8)", + "name": "4-Guanidinobutanal", + "names": [ + "4-Guanidinobutanal" + ] + }, + { + "compound_id": "C02648", + "inchi": "InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2", + "name": "4-Hydroxy-2-butynal", + "names": [ + "4-Hydroxy-2-butynal", + "4-Hydroxybut-2-ynal" + ] + }, + { + "compound_id": "C02652", + "inchi": "InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4,6,8,10H,2H2,(H,11,12)/t4-,6-/m1/s1", + "name": "5-Dehydroshikimate", + "names": [ + "5-Dehydroshikimate" + ] + }, + { + "compound_id": "C02654", + "inchi": null, + "name": "5-Substituted dCMP", + "names": [ + "5-Substituted dCMP" + ] + }, + { + "compound_id": "C02655", + "inchi": "InChI=1S/C8H14O7/c1-3(9)14-2-4-5(10)6(11)7(12)8(13)15-4/h4-8,10-13H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1", + "name": "6-Acetyl-D-glucose", + "names": [ + "6-Acetyl-D-glucose" + ] + }, + { + "compound_id": "C02656", + "inchi": "InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)", + "name": "6-Carboxyhexanoate", + "names": [ + "6-Carboxyhexanoate", + "Heptanedioic acid", + "Pimelate", + "Pimelic acid" + ] + }, + { + "compound_id": "C02657", + "inchi": "InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)", + "name": "6-Methylsalicylate", + "names": [ + "2-Hydroxy-6-methylbenzoic acid", + "6-Methyl-2-hydroxybenzenecarboxylate", + "6-Methylsalicylate", + "6-Methylsalicylic acid" + ] + }, + { + "compound_id": "C02658", + "inchi": null, + "name": "Aldoxime", + "names": [ + "Aldoxime", + "Aliphatic aldoxime" + ] + }, + { + "compound_id": "C02659", + "inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3", + "name": "Acetone cyanohydrin", + "names": [ + "2-Hydroxy-2-methylpropanenitrile", + "2-Hydroxyisobutyronitrile", + "2-Methyllactonitrile", + "Acetone cyanhydrin", + "Acetone cyanohydrin", + "alpha-Hydroxyisobutyronitrile" + ] + }, + { + "compound_id": "C02660", + "inchi": "InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2", + "name": "Benzyl thiocyanate", + "names": [ + "Benzyl thiocyanate" + ] + }, + { + "compound_id": "C02661", + "inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2", + "name": "Bromochloromethane", + "names": [ + "Bromochloromethane", + "Methylene chlorobromide" + ] + }, + { + "compound_id": "C02666", + "inchi": "InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+", + "name": "Coniferyl aldehyde", + "names": [ + "4-Hydroxy-3-methoxycinnamaldehyde", + "Coniferaldehyde", + "Coniferyl aldehyde", + "Ferulaldehyde" + ] + }, + { + "compound_id": "C02669", + "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3+,4+,5-/m1/s1", + "name": "D-Galactono-1,5-lactone", + "names": [ + "D-Galactono-1,5-lactone" + ] + }, + { + "compound_id": "C02670", + "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1", + "name": "D-Glucuronolactone", + "names": [ + "D-Glucurone", + "D-Glucurono-3,6-lactone", + "D-Glucuronolactone", + "Glucurone" + ] + }, + { + "compound_id": "C02671", + "inchi": null, + "name": "D-Glutamyl-peptide", + "names": [ + "D-Glutamyl-peptide", + "gamma-D-Glutamyl-peptide" + ] + }, + { + "compound_id": "C02672", + "inchi": null, + "name": "D-Hexose phosphate", + "names": [ + "D-Hexose phosphate" + ] + }, + { + "compound_id": "C02673", + "inchi": "InChI=1S/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/t18-,19+,21-,22+,23+/m0/s1", + "name": "Desacetoxyvindoline", + "names": [ + "16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine", + "Deacetoxyvindoline", + "Desacetoxyvindoline" + ] + }, + { + "compound_id": "C02674", + "inchi": "InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1", + "name": "Deoxyribonolactone", + "names": [ + "2-Deoxyribonolactone", + "Deoxyribonolactone" + ] + }, + { + "compound_id": "C02675", + "inchi": "InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3", + "name": "Dihydrobiochanin A", + "names": [ + "2,3-Dihydrobiochanin A", + "Dihydrobiochanin A" + ] + }, + { + "compound_id": "C02677", + "inchi": "InChI=1S/C2H6Te/c1-3-2/h1-2H3", + "name": "Dimethyl telluride", + "names": [ + "Dimethyl telluride" + ] + }, + { + "compound_id": "C02678", + "inchi": "InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)", + "name": "Dodecanedioic acid", + "names": [ + "Dodecanedioic acid" + ] + }, + { + "compound_id": "C02679", + "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)", + "name": "Dodecanoic acid", + "names": [ + "1-Dodecanoic acid", + "1-dodecanoic acid", + "Dodecanoate", + "Dodecanoic acid", + "Dodecylcarboxylate", + "Lauric acid" + ] + }, + { + "compound_id": "C02681", + "inchi": "InChI=1S/C43H74O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38-28-34-36(45)27-33-32(41(34,5)29-37(38)46)21-25-42(6)31(22-26-43(33,42)49)30(2)35(44)23-24-40(3,4)48/h27,30-32,34-35,37-38,44,46,48-49H,7-26,28-29H2,1-6H3/t30-,31+,32?,34-,35?,37-,38+,41+,42+,43+/m0/s1", + "name": "Ecdysone palmitate", + "names": [ + "Ecdysone 3-palmitate", + "Ecdysone palmitate" + ] + }, + { + "compound_id": "C02682", + "inchi": null, + "name": "Ferricytochrome c3", + "names": [ + "Ferricytochrome c3" + ] + }, + { + "compound_id": "C02683", + "inchi": null, + "name": "Ferrileghemoglobin", + "names": [ + "Ferrileghemoglobin" + ] + }, + { + "compound_id": "C02684", + "inchi": null, + "name": "Ferrocytochrome c3", + "names": [ + "Ferrocytochrome c3", + "Reduced cytochrome c3" + ] + }, + { + "compound_id": "C02685", + "inchi": null, + "name": "Ferroleghemoglobin", + "names": [ + "Ferroleghemoglobin" + ] + }, + { + "compound_id": "C02686", + "inchi": null, + "name": "Galactosylceramide", + "names": [ + "Cerebroside", + "D-Galactosyl-N-acylsphingosine", + "D-Galactosylceramide", + "Galactocerebroside", + "Galactosylceramide" + ] + }, + { + "compound_id": "C02687", + "inchi": null, + "name": "alpha-D-Glucosylglycogenin", + "names": [ + "alpha-D-Glucosylglycogenin" + ] + }, + { + "compound_id": "C02688", + "inchi": null, + "name": "Glycerol monoester", + "names": [ + "Glycerol monoester" + ] + }, + { + "compound_id": "C02691", + "inchi": "InChI=1S/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1", + "name": "Heteropyrithiamine", + "names": [ + "Heteropyrithiamine" + ] + }, + { + "compound_id": "C02692", + "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3?,4?,5?/m1/s1", + "name": "Hexose-1,5-lactone", + "names": [ + "Hexose-1,5-lactone" + ] + }, + { + "compound_id": "C02693", + "inchi": "InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)", + "name": "(Indol-3-yl)acetamide", + "names": [ + "(Indol-3-yl)acetamide", + "Indole-3-acetamide" + ] + }, + { + "compound_id": "C02695", + "inchi": null, + "name": "Isomaltosaccharide", + "names": [ + "Isomaltosaccharide" + ] + }, + { + "compound_id": "C02699", + "inchi": null, + "name": "L-Citrulline ester", + "names": [ + "L-Citrulline ester" + ] + }, + { + "compound_id": "C02700", + "inchi": "InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1", + "name": "L-Formylkynurenine", + "names": [ + "L-Formylkynurenine", + "N-Formyl-L-kynurenine", + "N-Formylkynurenine" + ] + }, + { + "compound_id": "C02702", + "inchi": null, + "name": "L-Prolyl-tRNA(Pro)", + "names": [ + "L-Prolyl-tRNA(Pro)" + ] + }, + { + "compound_id": "C02703", + "inchi": "InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", + "name": "L-Serine O-sulfate", + "names": [ + "L-Serine O-sulfate" + ] + }, + { + "compound_id": "C02704", + "inchi": "InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)", + "name": "Monomethyl sulfate", + "names": [ + "Methyl sulfate", + "Monomethyl sulfate" + ] + }, + { + "compound_id": "C02705", + "inchi": null, + "name": "Mucus glycoprotein", + "names": [ + "Mucus glycoprotein" + ] + }, + { + "compound_id": "C02706", + "inchi": null, + "name": "Myelin proteolipid", + "names": [ + "Myelin proteolipid" + ] + }, + { + "compound_id": "C02707", + "inchi": null, + "name": "Myosin heavy chain", + "names": [ + "Myosin heavy chain" + ] + }, + { + "compound_id": "C02709", + "inchi": "InChI=1S/C8H9NO2/c1-7(10)11-9-8-5-3-2-4-6-8/h2-6,9H,1H3", + "name": "N-(Acetyloxy)benzenamine", + "names": [ + "N-(Acetyloxy)benzenamine" + ] + }, + { + "compound_id": "C02710", + "inchi": "InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1", + "name": "N-Acetyl-L-leucine", + "names": [ + "N-Acetyl-L-leucine" + ] + }, + { + "compound_id": "C02711", + "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)", + "name": "N-Acetylhexosamine", + "names": [ + "N-Acetylhexosamine" + ] + }, + { + "compound_id": "C02712", + "inchi": "InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1", + "name": "N-Acetylmethionine", + "names": [ + "N-Acetyl-L-methionine", + "N-Acetylmethionine" + ] + }, + { + "compound_id": "C02713", + "inchi": "InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4?,6-,7-,8-,9-,11?/m1/s1", + "name": "N-Acetylmuramate", + "names": [ + "N-Acetyl-D-muramoate", + "N-Acetylmuramate", + "N-Acetylmuramic acid" + ] + }, + { + "compound_id": "C02714", + "inchi": "InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)", + "name": "N-Acetylputrescine", + "names": [ + "N-Acetylputrescine" + ] + }, + { + "compound_id": "C02715", + "inchi": null, + "name": "N-Acyl-L-aspartate", + "names": [ + "N-Acyl-L-aspartate" + ] + }, + { + "compound_id": "C02716", + "inchi": null, + "name": "N-Acyl-L-glutamine", + "names": [ + "N-Acyl-L-glutamine" + ] + }, + { + "compound_id": "C02717", + "inchi": "InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+", + "name": "N-Feruloyltyramine", + "names": [ + "N-Feruloyltyramine", + "trans-N-Feruloyltyramine" + ] + }, + { + "compound_id": "C02718", + "inchi": "InChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7)", + "name": "N-Formiminoglycine", + "names": [ + "Formiminoglycine", + "N-Formimidoylglycine", + "N-Formiminoglycine" + ] + }, + { + "compound_id": "C02720", + "inchi": "InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H", + "name": "Hydroxylaminobenzene", + "names": [ + "(Hydroxyamino)benzene", + "Hydroxylaminobenzene" + ] + }, + { + "compound_id": "C02721", + "inchi": "InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1", + "name": "N-Methyl-L-alanine", + "names": [ + "N-Methyl-L-alanine" + ] + }, + { + "compound_id": "C02722", + "inchi": "InChI=1S/C7H15NO/c1-3-4-5-6-7(9)8-2/h3-6H2,1-2H3,(H,8,9)", + "name": "N-Methylhexanamide", + "names": [ + "N-Methylhexanamide" + ] + }, + { + "compound_id": "C02723", + "inchi": "InChI=1S/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3", + "name": "N-Methylputrescine", + "names": [ + "N-Methylputrescine" + ] + }, + { + "compound_id": "C02724", + "inchi": "InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1", + "name": "N-Methylpyridinium", + "names": [ + "N-Methylpyridinium" + ] + }, + { + "compound_id": "C02725", + "inchi": "InChI=1S/C25H48N6O14/c1-6(33)31-8-2-7(28)14(34)22(20(8)43-23-12(29)17(37)15(35)9(3-26)40-23)45-25-19(39)21(11(5-32)42-25)44-24-13(30)18(38)16(36)10(4-27)41-24/h7-25,32,34-39H,2-5,26-30H2,1H3,(H,31,33)/t7?,8?,9?,10?,11-,12?,13?,14?,15?,16?,17?,18?,19-,20?,21-,22-,23?,24-,25+/m1/s1", + "name": "N3'-Acetylneomycin", + "names": [ + "N3'-Acetylneomycin" + ] + }, + { + "compound_id": "C02726", + "inchi": "InChI=1S/C5H15N4O3P/c6-5(7)8-3-1-2-4-9-13(10,11)12/h1-4H2,(H4,6,7,8)(H3,9,10,11,12)", + "name": "N4-Phosphoagmatine", + "names": [ + "N4-Phosphoagmatine" + ] + }, + { + "compound_id": "C02727", + "inchi": "InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1", + "name": "N6-Acetyl-L-lysine", + "names": [ + "N6-Acetyl-L-lysine" + ] + }, + { + "compound_id": "C02728", + "inchi": "InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1", + "name": "N6-Methyl-L-lysine", + "names": [ + "N6-Methyl-L-lysine" + ] + }, + { + "compound_id": "C02729", + "inchi": null, + "name": "O-Phosphoprotamine", + "names": [ + "O-Phosphoprotamine" + ] + }, + { + "compound_id": "C02730", + "inchi": "InChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)", + "name": "2-Succinylbenzoate", + "names": [ + "2-Succinylbenzoate", + "Succinylbenzoate", + "o-Succinylbenzoate" + ] + }, + { + "compound_id": "C02732", + "inchi": null, + "name": "Peptide tryptophan", + "names": [ + "Peptide tryptophan" + ] + }, + { + "compound_id": "C02733", + "inchi": null, + "name": "Peptidyl-L-alanine", + "names": [ + "Peptidyl-L-alanine" + ] + }, + { + "compound_id": "C02734", + "inchi": "InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)", + "name": "Phenolic phosphate", + "names": [ + "Phenolic phosphate", + "Phenylphosphate", + "phenyl phosphate" + ] + }, + { + "compound_id": "C02735", + "inchi": "InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2", + "name": "Phenylethanolamine", + "names": [ + "2-Amino-1-phenylethanol", + "Phenylethanolamine" + ] + }, + { + "compound_id": "C02736", + "inchi": null, + "name": "Phosphatidyl ester", + "names": [ + "Phosphatidyl ester" + ] + }, + { + "compound_id": "C02737", + "inchi": null, + "name": "Phosphatidylserine", + "names": [ + "1,2-Diacyl-sn-glycerol 3-phospho-L-serine", + "3-O-sn-Phosphatidyl-L-serine", + "L-1-Phosphatidylserine", + "O3-Phosphatidyl-L-serine", + "Phosphatidyl-L-serine", + "Phosphatidylserine" + ] + }, + { + "compound_id": "C02739", + "inchi": "InChI=1S/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,31,32)(H,33,34)(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", + "name": "1-(5-Phospho-D-ribosyl)-ATP", + "names": [ + "1-(5-Phospho-D-ribosyl)-ATP", + "1-(5-Phosphoribosyl)-ATP", + "N1-(5-Phospho-D-ribosyl)-ATP", + "Phosphoribosyl-ATP" + ] + }, + { + "compound_id": "C02740", + "inchi": "InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1", + "name": "Photinus luciferin", + "names": [ + "(S)-4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylic acid", + "(S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid", + "Firefly luciferin", + "Photinus luciferin" + ] + }, + { + "compound_id": "C02741", + "inchi": "InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", + "name": "Phosphoribosyl-AMP", + "names": [ + "1-(5-Phosphoribosyl)-AMP", + "N1-(5-Phospho-D-ribosyl)-AMP", + "Phosphoribosyl-AMP" + ] + }, + { + "compound_id": "C02743", + "inchi": null, + "name": "Protein L-cysteine", + "names": [ + "Protein L-cysteine" + ] + }, + { + "compound_id": "C02744", + "inchi": "InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1", + "name": "Psychosine sulfate", + "names": [ + "Psychosine sulfate" + ] + }, + { + "compound_id": "C02745", + "inchi": null, + "name": "Reduced flavodoxin", + "names": [ + "Reduced flavodoxin" + ] + }, + { + "compound_id": "C02747", + "inchi": "InChI=1S/C18H18O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,10-11,21-23H,1-4H3/t10?,11-,18?/m1/s1", + "name": "Reduced-(S)-usnate", + "names": [ + "Reduced-(S)-usnate" + ] + }, + { + "compound_id": "C02749", + "inchi": null, + "name": "S-Alkyl-L-cysteine", + "names": [ + "S-Alkyl-L-cysteine" + ] + }, + { + "compound_id": "C02750", + "inchi": "InChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/b4-3+", + "name": "Sinapoyltartronate", + "names": [ + "Sinapoyltartronate" + ] + }, + { + "compound_id": "C02752", + "inchi": "InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3", + "name": "Triacetate lactone", + "names": [ + "4-Hydroxy-6-methyl-2-pyrone", + "Triacetate lactone" + ] + }, + { + "compound_id": "C02753", + "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1", + "name": "D-Xylono-1,4-lactone", + "names": [ + "D-Xylono-1,4-lactone" + ] + }, + { + "compound_id": "C02755", + "inchi": "InChI=1S/C18H29N5O10S2/c19-8(17(30)31)1-3-12(24)22-11(7-35)16(29)23-9(18(32)33)2-4-13(25)21-10(6-34)15(28)20-5-14(26)27/h8-11,34-35H,1-7,19H2,(H,20,28)(H,21,25)(H,22,24)(H,23,29)(H,26,27)(H,30,31)(H,32,33)/t8-,9-,10-,11-/m0/s1", + "name": "[Glu(-Cys)]n+1-Gly", + "names": [ + "[Glu(-Cys)]n+1-Gly" + ] + }, + { + "compound_id": "C02756", + "inchi": null, + "name": "[Xanthine oxidase]", + "names": [ + "[Xanthine oxidase]" + ] + }, + { + "compound_id": "C02757", + "inchi": null, + "name": "alpha-L-Rhamnoside", + "names": [ + "alpha-L-Rhamnoside" + ] + }, + { + "compound_id": "C02758", + "inchi": null, + "name": "alpha-Melanotropin", + "names": [ + "alpha-Intermedin", + "alpha-MSH", + "alpha-Melanocyte-stimulating hormone", + "alpha-Melanotropin" + ] + }, + { + "compound_id": "C02759", + "inchi": "InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8?,10?/m0/s1", + "name": "alpha-Pinene-oxide", + "names": [ + "alpha-Pinene-oxide" + ] + }, + { + "compound_id": "C02761", + "inchi": null, + "name": "beta-L-Arabinoside", + "names": [ + "beta-L-Arabinoside" + ] + }, + { + "compound_id": "C02762", + "inchi": null, + "name": "beta-Limit dextrin", + "names": [ + "beta-Limit dextrin" + ] + }, + { + "compound_id": "C02763", + "inchi": "InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-", + "name": "2-Hydroxy-3-phenylpropenoate", + "names": [ + "2-Hydroxy-3-phenylpropenoate", + "enol-Phenylpyruvate", + "enol-Phenylpyruvic acid", + "enol-alpha-Ketohydrocinnamic acid" + ] + }, + { + "compound_id": "C02764", + "inchi": null, + "name": "tRNA pseudouridine", + "names": [ + "tRNA pseudouridine" + ] + }, + { + "compound_id": "C02765", + "inchi": "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1", + "name": "(+)-Pseudoephedrine", + "names": [ + "(+)-Pseudoephedrine", + "Pseudoephedrine" + ] + }, + { + "compound_id": "C02766", + "inchi": "InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)", + "name": "Ureidoglycolic acid", + "names": [ + "Ureidoglycolate", + "Ureidoglycolic acid" + ] + }, + { + "compound_id": "C02768", + "inchi": "InChI=1S/C6H16O11P2/c7-1-5(8)2-16-19(13,14)17-4-6(9)3-15-18(10,11)12/h5-9H,1-4H2,(H,13,14)(H2,10,11,12)", + "name": "(Glycerophosphate)n", + "names": [ + "(Glycerophosphate)n", + "(Glycerophosphate)n+1", + "Poly(glycerol phosphate)" + ] + }, + { + "compound_id": "C02771", + "inchi": "InChI=1S/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8,10,13H,4-7H2,1-3H3/t8-,10-,13-,15-/m0/s1", + "name": "1,2-Dihydrosantonin", + "names": [ + "1,2-Dihydro-alpha-santonin", + "1,2-Dihydrosantonin" + ] + }, + { + "compound_id": "C02773", + "inchi": null, + "name": "1-Alkyl-sn-glycerol", + "names": [ + "1-Alkyl-sn-glycerol", + "1-O-Alkyl-sn-glycerol" + ] + }, + { + "compound_id": "C02774", + "inchi": "InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)", + "name": "10-Hydroxydecanoic acid", + "names": [ + "10-Hydroxydecanoate", + "10-Hydroxydecanoic acid" + ] + }, + { + "compound_id": "C02775", + "inchi": "InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,9-11H", + "name": "2,3-Dihydroxyindole", + "names": [ + "2,3-Dihydroxyindole", + "Dihydroxyindole" + ] + }, + { + "compound_id": "C02777", + "inchi": "InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)", + "name": "2,5-Dioxopiperazine", + "names": [ + "2,5-Diazacyclohexane-1,4-dione", + "2,5-Dioxopiperazine", + "2,5-Piperazinedione", + "Diketopiperazine", + "Glycine anhydride" + ] + }, + { + "compound_id": "C02778", + "inchi": "InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)", + "name": "2-Acetamidofluorene", + "names": [ + "2-Acetamidofluorene", + "N-2-Fluorenylacetamide" + ] + }, + { + "compound_id": "C02779", + "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1", + "name": "2-Dehydro-D-glucose", + "names": [ + "2-Dehydro-D-glucose" + ] + }, + { + "compound_id": "C02780", + "inchi": "InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)/t3-,4+/m1/s1", + "name": "2,5-Didehydro-D-gluconate", + "names": [ + "2,5-Didehydro-D-gluconate", + "2,5-Diketogluconic acid", + "2,5-diketo-d-gluconate" + ] + }, + { + "compound_id": "C02781", + "inchi": "InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6-/m1/s1", + "name": "2-Deoxy-D-galactose", + "names": [ + "2-Deoxy-D-galactose" + ] + }, + { + "compound_id": "C02782", + "inchi": "InChI=1S/C6H12O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3-4,6-9,12H,1-2H2,(H,10,11)/t3-,4-,6+/m1/s1", + "name": "2-Deoxy-D-gluconate", + "names": [ + "2-Deoxy-D-gluconate" + ] + }, + { + "compound_id": "C02783", + "inchi": "InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5+/m1/s1", + "name": "2-Deoxy-L-arabinose", + "names": [ + "2-Deoxy-L-arabinose" + ] + }, + { + "compound_id": "C02784", + "inchi": "InChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "2-Fluorobenzoyl-CoA", + "names": [ + "2-Fluorobenzoyl-CoA" + ] + }, + { + "compound_id": "C02785", + "inchi": "InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,26?,31?/m1/s1", + "name": "3-Hydroxy-vitamin K", + "names": [ + "3-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone", + "3-Hydroxy-vitamin K" + ] + }, + { + "compound_id": "C02787", + "inchi": "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3", + "name": "2-Methylpropanamine", + "names": [ + "2-Methyl-1-propanamine", + "2-Methylpropanamine", + "Isobutylamine" + ] + }, + { + "compound_id": "C02789", + "inchi": null, + "name": "3'-Extranucleotides", + "names": [ + "3'-Extranucleotides" + ] + }, + { + "compound_id": "C02790", + "inchi": null, + "name": "3'-Hydroxyflavonoid", + "names": [ + "3'-Hydroxyflavonoid" + ] + }, + { + "compound_id": "C02791", + "inchi": "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2", + "name": "3,4-Dichloroaniline", + "names": [ + "3,4-Dichloroaniline" + ] + }, + { + "compound_id": "C02792", + "inchi": "InChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-7-6-18(37)31-8-9-57-27(41)15-4-3-5-16(29)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-5,10,13-14,17,20-22,26,38-39H,6-9,11-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "3-Fluorobenzoyl-CoA", + "names": [ + "3-Fluorobenzoyl-CoA" + ] + }, + { + "compound_id": "C02793", + "inchi": "InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-28-29(32)26-18-7-8-19-27(26)30(33)31(28,6)34/h7-8,18-20,22-24,28,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,28?,31?/m1/s1", + "name": "2-Hydroxy-vitamin K", + "names": [ + "2-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone", + "2-Hydroxy-vitamin K" + ] + }, + { + "compound_id": "C02794", + "inchi": "InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)", + "name": "3-Hydroxykynurenine", + "names": [ + "3-Hydroxy-DL-kynurenine", + "3-Hydroxykynurenine" + ] + }, + { + "compound_id": "C02796", + "inchi": "InChI=1S/C9H7NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-5H,1H2,(H,10,11)", + "name": "3-Methyleneoxindole", + "names": [ + "3-Methyleneoxindole" + ] + }, + { + "compound_id": "C02797", + "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15?,16?,17?,18?,19?/m1/s1", + "name": "3-Oxo-5beta-steroid", + "names": [ + "3-Oxo-5beta-steroid" + ] + }, + { + "compound_id": "C02798", + "inchi": "InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)", + "name": "3-Phosphonopyruvate", + "names": [ + "3-Phosphonopyruvate" + ] + }, + { + "compound_id": "C02799", + "inchi": "InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2/t11?,12?,13-,14?,15?,16?,17?/m0/s1", + "name": "3beta-Hydroxysterol", + "names": [ + "3beta-Hydroxysterol" + ] + }, + { + "compound_id": "C02800", + "inchi": "InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)", + "name": "4,5-Dioxopentanoate", + "names": [ + "4,5-Dioxopentanoate", + "4-Oxoglutarate semialdehyde" + ] + }, + { + "compound_id": "C02801", + "inchi": "InChI=1S/C25H43N8O17P3S/c1-25(2,20(37)23(38)29-7-5-15(34)28-8-9-54-16(35)4-3-6-26)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37H,3-11,26H2,1-2H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", + "name": "4-Aminobutanoyl-CoA", + "names": [ + "4-Aminobutanoyl-CoA" + ] + }, + { + "compound_id": "C02802", + "inchi": "InChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "4-Fluorobenzoyl-CoA", + "names": [ + "4-Fluorobenzoyl-CoA" + ] + }, + { + "compound_id": "C02803", + "inchi": "InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3", + "name": "4-Nitroacetophenone", + "names": [ + "4-Nitroacetophenone", + "p-Nitroacetophenone" + ] + }, + { + "compound_id": "C02804", + "inchi": "InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)", + "name": "5-Hydroxypentanoate", + "names": [ + "5-Hydroxypentanoate" + ] + }, + { + "compound_id": "C02805", + "inchi": null, + "name": "5-Oxoprolyl-peptide", + "names": [ + "5-Oxoprolyl-peptide", + "Pyroglutamyl-peptide", + "Pyrrolidone-carboxyl-peptide", + "Pyrrolidone-carboxylyl-peptide" + ] + }, + { + "compound_id": "C02806", + "inchi": "InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H", + "name": "8-Hydroxykaempferol", + "names": [ + "8-Hydroxykaempferol" + ] + }, + { + "compound_id": "C02807", + "inchi": "InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H", + "name": "Acenaphthenequinone", + "names": [ + "1,2-Diketoacenaphthene", + "Acenaphthenequinone", + "Acenaphthoquinone" + ] + }, + { + "compound_id": "C02808", + "inchi": "InChI=1S/C19H28N8O6/c1-10(28)23-11(5-7-26(2)18(21)22)9-14(29)24-12-3-4-15(33-16(12)17(30)31)27-8-6-13(20)25-19(27)32/h3-4,6,8,11-12,15-16H,5,7,9H2,1-2H3,(H3,21,22)(H,23,28)(H,24,29)(H,30,31)(H2,20,25,32)/t11?,12-,15+,16-/m0/s1", + "name": "Acetylblasticidin S", + "names": [ + "Acetylblasticidin S" + ] + }, + { + "compound_id": "C02809", + "inchi": "InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)", + "name": "Albendazole S-oxide", + "names": [ + "Albendazole S-oxide" + ] + }, + { + "compound_id": "C02810", + "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)", + "name": "Alditol 6-phosphate", + "names": [ + "Alditol 6-phosphate" + ] + }, + { + "compound_id": "C02811", + "inchi": "InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1", + "name": "Anhydrotetracycline", + "names": [ + "Anhydrotetracycline" + ] + }, + { + "compound_id": "C02812", + "inchi": "InChI=1S/C6H8O9S/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H,11,12,13)/t2-,4+/m0/s1", + "name": "Ascorbate 2-sulfate", + "names": [ + "Ascorbate 2-sulfate" + ] + }, + { + "compound_id": "C02814", + "inchi": "InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H", + "name": "Benzene-1,2,4-triol", + "names": [ + "1,2,4-Benzenetriol", + "1,2,4-Trihydroxybenzene", + "Benzene-1,2,4-triol", + "Hydroxyhydroquinone", + "Hydroxyquinol" + ] + }, + { + "compound_id": "C02816", + "inchi": null, + "name": "Calmodulin L-lysine", + "names": [ + "Calmodulin L-lysine" + ] + }, + { + "compound_id": "C02817", + "inchi": "InChI=1S/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H", + "name": "Chlordecone alcohol", + "names": [ + "Chlordecone alcohol" + ] + }, + { + "compound_id": "C02821", + "inchi": "InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1", + "name": "Cortisol 21-acetate", + "names": [ + "Cortell", + "Cortisol 21-acetate", + "Hydrocortisone acetate" + ] + }, + { + "compound_id": "C02822", + "inchi": "InChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14?,15?,16?,18?,19?,20?,21-/m0/s1", + "name": "Cortisol 21-sulfate", + "names": [ + "Cortisol 21-sulfate" + ] + }, + { + "compound_id": "C02823", + "inchi": "InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", + "name": "Cyanocob(III)alamin", + "names": [ + "Cyanocob(III)alamin", + "Cyanocobalamin", + "Dicopac", + "Vitamin B12 complex" + ] + }, + { + "compound_id": "C02824", + "inchi": "InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)", + "name": "Cyclohexylsulfamate", + "names": [ + "Cyclohexylamide sulfate", + "Cyclohexylsulfamate", + "Cyclohexylsulfamic acid", + "Cylamic acid" + ] + }, + { + "compound_id": "C02825", + "inchi": "InChI=1S/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)/t13-/m0/s1", + "name": "Cypridina luciferin", + "names": [ + "Cypridina luciferin" + ] + }, + { + "compound_id": "C02827", + "inchi": "InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1", + "name": "D-Glucose 6-sulfate", + "names": [ + "D-Glucose 6-sulfate" + ] + }, + { + "compound_id": "C02828", + "inchi": "InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16-,17-/m1/s1", + "name": "D-Phe-Pro-Arg-CH2Cl", + "names": [ + "D-Phe-Pro-Arg-CH2Cl" + ] + }, + { + "compound_id": "C02834", + "inchi": null, + "name": "Heparin-glucosamine", + "names": [ + "Heparin-glucosamine" + ] + }, + { + "compound_id": "C02835", + "inchi": "InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)", + "name": "Imidazole-4-acetate", + "names": [ + "4-Imidazoleacetate", + "Imidazole-4-acetate", + "Imidazoleacetic acid" + ] + }, + { + "compound_id": "C02837", + "inchi": "InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1", + "name": "L-Lysine 1,6-lactam", + "names": [ + "L-2-Amino-hexano-6-lactam", + "L-Lysine 1,6-lactam", + "L-alpha-Aminocaprolactam" + ] + }, + { + "compound_id": "C02838", + "inchi": "InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1", + "name": "L-Octanoylcarnitine", + "names": [ + "L-Octanoylcarnitine" + ] + }, + { + "compound_id": "C02839", + "inchi": null, + "name": "L-Tyrosyl-tRNA(Tyr)", + "names": [ + "L-Tyrosyl-tRNA(Tyr)", + "L-tyrosyl-tRNA-tyr", + "l-tyrosyl-trna-tyr" + ] + }, + { + "compound_id": "C02840", + "inchi": null, + "name": "Linear DNA duplexes", + "names": [ + "Linear DNA duplexes" + ] + }, + { + "compound_id": "C02843", + "inchi": "InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19?,23-/m1/s1", + "name": "Long-chain acyl-CoA", + "names": [ + "Long-chain acyl-CoA" + ] + }, + { + "compound_id": "C02845", + "inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3", + "name": "Methyl ethyl ketone", + "names": [ + "2-Butanone", + "Ethyl methyl ketone", + "MEK", + "Methyl ethyl ketone" + ] + }, + { + "compound_id": "C02846", + "inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3", + "name": "N,N-Dimethylaniline", + "names": [ + "Dimethylaminobenzene", + "N,N-Dimethylaniline", + "N,N-Dimethylbenzenamine" + ] + }, + { + "compound_id": "C02847", + "inchi": null, + "name": "N-Acetyl amino acid", + "names": [ + "N-Acetyl amino acid" + ] + }, + { + "compound_id": "C02848", + "inchi": null, + "name": "N-Acetyl-D-galactosaminide", + "names": [ + "N-Acetyl-D-galactosaminide" + ] + }, + { + "compound_id": "C02850", + "inchi": null, + "name": "N-Acyl-L-amino acid", + "names": [ + "N-Acyl-L-amino acid" + ] + }, + { + "compound_id": "C02851", + "inchi": null, + "name": "N-Acyl-L-citrulline", + "names": [ + "N-Acyl-L-citrulline" + ] + }, + { + "compound_id": "C02852", + "inchi": "InChI=1S/C8H17NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h3,5-8,10-14H,2,4H2,1H3/b9-3+/t5-,6+,7+,8+/m0/s1", + "name": "N-Ethylglycocyamine", + "names": [ + "N-Ethylglycocyamine" + ] + }, + { + "compound_id": "C02853", + "inchi": null, + "name": "N-Formyl amino acid", + "names": [ + "N-Formyl amino acid" + ] + }, + { + "compound_id": "C02854", + "inchi": "InChI=1S/C6H7NO2/c8-5-7-4-6-2-1-3-9-6/h1-3,5H,4H2,(H,7,8)", + "name": "N-Furfurylformamide", + "names": [ + "N-Furfurylformamide" + ] + }, + { + "compound_id": "C02855", + "inchi": "InChI=1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/t4-/m1/s1", + "name": "N-Phospho-D-lombricine", + "names": [ + "N-Phospho-D-lombricine" + ] + }, + { + "compound_id": "C02856", + "inchi": "InChI=1S/C23H43N5O12/c1-6(30)28-9-3-7(24)14(31)17(34)19(9)38-21-8(25)4-10-20(39-21)16(33)13(27-2)22(36-10)40-23-18(35)15(32)12(26)11(5-29)37-23/h7-23,27,29,31-35H,3-5,24-26H2,1-2H3,(H,28,30)", + "name": "N3'-Acetylapramycin", + "names": [ + "N3'-Acetylapramycin" + ] + }, + { + "compound_id": "C02857", + "inchi": null, + "name": "N3'-Acetylkanamycin", + "names": [ + "N3'-Acetylkanamycin" + ] + }, + { + "compound_id": "C02858", + "inchi": null, + "name": "N5-Acyl-L-ornithine", + "names": [ + "N5-Acyl-L-ornithine" + ] + }, + { + "compound_id": "C02860", + "inchi": null, + "name": "N6-Alkylaminopurine", + "names": [ + "N6-Alkylaminopurine" + ] + }, + { + "compound_id": "C02862", + "inchi": "InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3", + "name": "O-Butanoylcarnitine", + "names": [ + "O-Butanoylcarnitine" + ] + }, + { + "compound_id": "C02863", + "inchi": null, + "name": "O-D-Mannosylprotein", + "names": [ + "O-D-Mannosylprotein" + ] + }, + { + "compound_id": "C02864", + "inchi": "InChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13-,14+,15+,17+,21+/m0/s1", + "name": "O-Demethylpuromycin", + "names": [ + "O-Demethylpuromycin" + ] + }, + { + "compound_id": "C02866", + "inchi": null, + "name": "O-Sinapoylglucarate", + "names": [ + "O-Sinapoylglucarate" + ] + }, + { + "compound_id": "C02867", + "inchi": null, + "name": "Oligoribonucleotide", + "names": [ + "Oligoribonucleotide" + ] + }, + { + "compound_id": "C02868", + "inchi": "InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)", + "name": "Lecanoric acid", + "names": [ + "Lecanoric acid", + "Orsellinate depside" + ] + }, + { + "compound_id": "C02869", + "inchi": null, + "name": "Oxidized flavodoxin", + "names": [ + "Oxidized flavodoxin" + ] + }, + { + "compound_id": "C02871", + "inchi": null, + "name": "Peptide L-aspartate", + "names": [ + "Peptide L-aspartate" + ] + }, + { + "compound_id": "C02872", + "inchi": null, + "name": "Peptide diphthamide", + "names": [ + "Diphthamide", + "EF-2 diphthamide", + "Elongation factor 2 diphthamide", + "Peptide diphthamide" + ] + }, + { + "compound_id": "C02876", + "inchi": "InChI=1S/C3H7O5P/c1-2-3(4)8-9(5,6)7/h2H2,1H3,(H2,5,6,7)", + "name": "Propanoyl phosphate", + "names": [ + "Propanoyl phosphate", + "Propionyl phosphate" + ] + }, + { + "compound_id": "C02879", + "inchi": "InChI=1S/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3/t8-,9-,10-,11-,26-,27-/m1/s1", + "name": "Protoaphin aglucone", + "names": [ + "Protoaphin aglucone", + "Protoaphin aglycone" + ] + }, + { + "compound_id": "C02880", + "inchi": "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1", + "name": "Protochlorophyllide", + "names": [ + "Protochlorophyllide" + ] + }, + { + "compound_id": "C02882", + "inchi": null, + "name": "S-Aryl-L-cysteine", + "names": [ + "RS-CH2-CH(NH3+)COO-", + "S-Aryl-L-cysteine" + ] + }, + { + "compound_id": "C02884", + "inchi": "InChI=1S/C5H13O14P3/c6-3-2(17-5(8)4(3)7)1-16-21(12,13)19-22(14,15)18-20(9,10)11/h2-8H,1H2,(H,12,13)(H,14,15)(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", + "name": "Ribose triphosphate", + "names": [ + "D-Ribose 5-triphosphate", + "Ribose triphosphate" + ] + }, + { + "compound_id": "C02885", + "inchi": null, + "name": "S-Alkyl thiosulfate", + "names": [ + "S-Alkyl thiosulfate" + ] + }, + { + "compound_id": "C02886", + "inchi": "InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1", + "name": "S-Hexyl-glutathione", + "names": [ + "S-Hexyl-L-glutathione", + "S-Hexyl-glutathione" + ] + }, + { + "compound_id": "C02887", + "inchi": "InChI=1S/C15H16O9/c1-22-9-5-8(6-10(23-2)14(9)19)3-4-13(18)24-11(15(20)21)7-12(16)17/h3-6,11,19H,7H2,1-2H3,(H,16,17)(H,20,21)/b4-3+/t11-/m0/s1", + "name": "Sinapoyl malate", + "names": [ + "Sinapoyl malate", + "Sinapoyl-(S)-malate" + ] + }, + { + "compound_id": "C02888", + "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5+,6+/m0/s1", + "name": "Sorbose 1-phosphate", + "names": [ + "L-Sorbose 1-phosphate", + "L-Sorbose 1P", + "L-xylo-Hexulose 1-phosphate", + "Sorbose 1-phosphate" + ] + }, + { + "compound_id": "C02890", + "inchi": "InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1", + "name": "Tetrahydropalmatine", + "names": [ + "(S)-Tetrahydropalmatine", + "Tetrahydropalmatine" + ] + }, + { + "compound_id": "C02892", + "inchi": "InChI=1S/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)/p+1", + "name": "Thiamine acetic acid", + "names": [ + "Thiamin acetic acid", + "Thiamine acetic acid" + ] + }, + { + "compound_id": "C02893", + "inchi": "InChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,7H,4-5H2,1-2H3/b6-3+", + "name": "Unsaturated alcohol", + "names": [ + "Unsaturated alcohol" + ] + }, + { + "compound_id": "C02894", + "inchi": "InChI=1S/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,27H,14-15H2,(H,31,32,33)(H,34,35,36)", + "name": "Watasenia luciferin", + "names": [ + "Watasenia luciferin" + ] + }, + { + "compound_id": "C02895", + "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1", + "name": "Xylitol 5-phosphate", + "names": [ + "D-Xylitol 5-phosphate", + "Xylitol 5-phosphate" + ] + }, + { + "compound_id": "C02896", + "inchi": "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2", + "name": "alpha,omega-Diamine", + "names": [ + "alpha,omega-Diamine" + ] + }, + { + "compound_id": "C02897", + "inchi": null, + "name": "alpha-D-Arabinoside", + "names": [ + "alpha-D-Arabinoside" + ] + }, + { + "compound_id": "C02899", + "inchi": "InChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,24H,8-9H2,1-3H3,(H,22,25)/t16-/m0/s1", + "name": "beta-Cyclopiazonate", + "names": [ + "beta-Cyclopiazonate", + "beta-Cyclopiazonic acid" + ] + }, + { + "compound_id": "C02900", + "inchi": null, + "name": "beta-D-Galactosyl-R", + "names": [ + "beta-D-Galactosyl-R" + ] + }, + { + "compound_id": "C02903", + "inchi": "InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2", + "name": "omega-Aminoaldehyde", + "names": [ + "omega-Aminoaldehyde" + ] + }, + { + "compound_id": "C02904", + "inchi": "InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1", + "name": "p-Menthane-3,8-diol", + "names": [ + "(-)-3,8-p-Menthanediol", + "p-Menthane-3,8-diol" + ] + }, + { + "compound_id": "C02905", + "inchi": null, + "name": "tRNA(Asp)-queuosine", + "names": [ + "tRNA(Asp)-queuosine" + ] + }, + { + "compound_id": "C02906", + "inchi": "InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1", + "name": "Dihydromyricetin", + "names": [ + "(+)-Ampelopsin", + "(+)-Dihydromyricetin", + "Ampelopsin", + "Dihydromyricetin" + ] + }, + { + "compound_id": "C02909", + "inchi": "InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2", + "name": "(2-Naphthyl)methanol", + "names": [ + "(2-Naphthyl)methanol", + "2-Hydroxymethylnaphthalene", + "2-Naphthalenemethanol" + ] + }, + { + "compound_id": "C02912", + "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1", + "name": "(R)-Propane-1,2-diol", + "names": [ + "(R)-1,2-Propanediol", + "(R)-Propane-1,2-diol", + "(R)-Propylene glycol" + ] + }, + { + "compound_id": "C02914", + "inchi": "InChI=1S/C3H6O6S/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H,6,7,8)/t2-/m0/s1", + "name": "(S)-2-O-Sulfolactate", + "names": [ + "(S)-2-O-Sulfolactate" + ] + }, + { + "compound_id": "C02915", + "inchi": "InChI=1S/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1/t17-,22?/m0/s1", + "name": "(S)-N-Methylcanadine", + "names": [ + "(S)-N-Methylcanadine" + ] + }, + { + "compound_id": "C02916", + "inchi": "InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m0/s1", + "name": "(S)-Norlaudanosoline", + "names": [ + "(S)-Norlaudanosoline", + "(S)-Tetrahydropapaveroline" + ] + }, + { + "compound_id": "C02917", + "inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1", + "name": "(S)-Propane-1,2-diol", + "names": [ + "(S)-1,2-Propanediol", + "(S)-Propane-1,2-diol", + "(S)-Propylene glycol" + ] + }, + { + "compound_id": "C02918", + "inchi": "InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1", + "name": "1-Methylnicotinamide", + "names": [ + "1-Methylnicotinamide", + "N(1)-Methylnicotinamide" + ] + }, + { + "compound_id": "C02919", + "inchi": "InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1", + "name": "4-O-beta-D-Glucosyl-sinapate", + "names": [ + "4-O-beta-D-Glucosyl-sinapate" + ] + }, + { + "compound_id": "C02920", + "inchi": "InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3", + "name": "2'-Hydroxyformononetin", + "names": [ + "2'-Hydroformononetin", + "2'-Hydroxyformononetin" + ] + }, + { + "compound_id": "C02921", + "inchi": "InChI=1S/C15H10O3/c16-13-7-3-1-5-10(13)12-9-18-14-8-4-2-6-11(14)15(12)17/h1-9,16H", + "name": "2'-Hydroxyisoflavone", + "names": [ + "2'-Hydroxyisoflavone" + ] + }, + { + "compound_id": "C02922", + "inchi": "InChI=1S/C16H14O5/c1-21-16-8-12(18)6-7-13(16)15(20)9-14(19)10-2-4-11(17)5-3-10/h2-8,17-18H,9H2,1H3", + "name": "2'-O-Methyllicodione", + "names": [ + "2'-O-Methyllicodione" + ] + }, + { + "compound_id": "C02923", + "inchi": "InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3", + "name": "2,3-Dihydroxytoluene", + "names": [ + "2,3-Dihydroxytoluene", + "3-Methylcatechol" + ] + }, + { + "compound_id": "C02924", + "inchi": "InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2", + "name": "Dimercaprol", + "names": [ + "2,3-Dimercapto-1-propanol", + "2,3-Mercaptopropanol", + "British anti-lewisite", + "Dimercaprol" + ] + }, + { + "compound_id": "C02926", + "inchi": "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2", + "name": "Homoserine lactone", + "names": [ + "2-Aminobutan-4-olide", + "Homoserine lactone" + ] + }, + { + "compound_id": "C02927", + "inchi": "InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+", + "name": "2-Caffeoylisocitrate", + "names": [ + "(E)-Caffeoylisocitrate", + "2-Caffeoylisocitrate" + ] + }, + { + "compound_id": "C02928", + "inchi": "InChI=1S/C5H8O6/c6-1-2(7)3(8)4(9)5(10)11/h2-3,6-8H,1H2,(H,10,11)/t2-,3+/m1/s1", + "name": "2-Dehydro-D-xylonate", + "names": [ + "2-Dehydro-D-xylonate" + ] + }, + { + "compound_id": "C02929", + "inchi": null, + "name": "2-Hydroxy carboxylate", + "names": [ + "2-Hydroxy carboxylate" + ] + }, + { + "compound_id": "C02930", + "inchi": "InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h1-3H2,(H,7,8)(H,9,10)", + "name": "2-Methyleneglutarate", + "names": [ + "2-Methyleneglutarate", + "alpha-Methylene glutarate" + ] + }, + { + "compound_id": "C02932", + "inchi": "InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)", + "name": "3,4-Dihydroxypyridine", + "names": [ + "3,4-Dihydroxypyridine" + ] + }, + { + "compound_id": "C02933", + "inchi": "InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H", + "name": "3,5-Dichlorocatechol", + "names": [ + "3,5-Dichlorocatechol" + ] + }, + { + "compound_id": "C02934", + "inchi": "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1", + "name": "3-Dehydrosphinganine", + "names": [ + "3-Dehydro-D-sphinganine", + "3-Dehydrosphinganine" + ] + }, + { + "compound_id": "C02937", + "inchi": "InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+", + "name": "Indole-3-acetaldehyde oxime", + "names": [ + "3-Indoleacetaldoxime", + "Indole-3-acetaldehyde oxime", + "Indole-3-acetaldoxime" + ] + }, + { + "compound_id": "C02938", + "inchi": "InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2", + "name": "3-Indoleacetonitrile", + "names": [ + "(Indol-3-yl)acetonitrile", + "3-Indoleacetonitrile", + "Indol-3-ylacetonitrile", + "Indole-3-acetonitrile" + ] + }, + { + "compound_id": "C02939", + "inchi": "InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", + "name": "3-Methylbutanoyl-CoA", + "names": [ + "3-Methylbutanoyl-CoA", + "Isovaleryl-CoA" + ] + }, + { + "compound_id": "C02940", + "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15?,16?,17?,18?,19?/m0/s1", + "name": "3-Oxo-5alpha-steroid", + "names": [ + "3-Oxo-5alpha-steroid" + ] + }, + { + "compound_id": "C02941", + "inchi": "InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h7,11,13,15-17H,3-6,8-10,12H2,1-2H3", + "name": "3-Oxo-delta1-steroid", + "names": [ + "3-Oxo-delta1-steroid" + ] + }, + { + "compound_id": "C02942", + "inchi": "InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16?,17?,19+,20-,21-/m0/s1", + "name": "3-Oxo-hydroxysteroid", + "names": [ + "3-Oxo-hydroxysteroid" + ] + }, + { + "compound_id": "C02943", + "inchi": "InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1", + "name": "3-Oxoglycyrrhetinate", + "names": [ + "3-Oxoglycyrrhetinate" + ] + }, + { + "compound_id": "C02944", + "inchi": "InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b12-11-/t22-,26-,27-,28?,32-/m1/s1", + "name": "3-cis-Dodecenoyl-CoA", + "names": [ + "(3Z)-Dodec-3-enoyl-CoA", + "(3Z)-Dodecenoyl-CoA", + "3-cis-Dodecenoyl coenzyme A", + "3-cis-Dodecenoyl-CoA" + ] + }, + { + "compound_id": "C02945", + "inchi": "InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18?,19?/m0/s1", + "name": "3beta-Hydroxysteroid", + "names": [ + "3beta-Hydroxysteroid" + ] + }, + { + "compound_id": "C02946", + "inchi": "InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)", + "name": "4-Acetamidobutanoate", + "names": [ + "4-Acetamidobutanoate", + "N4-Acetylaminobutanoate" + ] + }, + { + "compound_id": "C02947", + "inchi": "InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1", + "name": "4-Coumaroylshikimate", + "names": [ + "4-Coumaroylshikimate", + "trans-5-O-(4-Coumaroyl)shikimate" + ] + }, + { + "compound_id": "C02948", + "inchi": "InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3", + "name": "4-Hydroxyhexan-3-one", + "names": [ + "4-Hydroxy-3-hexanone", + "4-Hydroxyhexan-3-one", + "Propioin" + ] + }, + { + "compound_id": "C02949", + "inchi": "InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "4-Hydroxybenzoyl-CoA", + "names": [ + "4-Hydroxybenzoyl-CoA" + ] + }, + { + "compound_id": "C02951", + "inchi": "InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3", + "name": "5-Hydroxyxanthotoxin", + "names": [ + "5-Hydroxyxanthotoxin" + ] + }, + { + "compound_id": "C02952", + "inchi": "InChI=1S/C10H14O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6H,4-5H2,1-3H3", + "name": "5-Oxo-1,2-campholide", + "names": [ + "5-Oxo-1,2-campholide" + ] + }, + { + "compound_id": "C02953", + "inchi": "InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)", + "name": "7,8-Dihydrobiopterin", + "names": [ + "7,8-Dihydrobiopterin" + ] + }, + { + "compound_id": "C02954", + "inchi": "InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1", + "name": "6-Aminopenicillanate", + "names": [ + "6-Aminopenicillanate", + "6-Aminopenicillanic acid", + "6-aminopenicillanate-", + "6-aminopenicillanic acid-" + ] + }, + { + "compound_id": "C02956", + "inchi": "InChI=1S/C19H32O/c1-18-9-5-7-14(18)17-15(8-11-18)19(2)10-4-3-6-13(19)12-16(17)20/h13-17,20H,3-12H2,1-2H3/t13?,14?,15?,16-,17?,18?,19?/m0/s1", + "name": "7beta-Hydroxysteroid", + "names": [ + "7beta-Hydroxysteroid" + ] + }, + { + "compound_id": "C02957", + "inchi": "InChI=1S/C11H14N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-6,8-9,16-17H,1-3H2,(H,12,13)/t6-,8+,9+/m0/s1", + "name": "8-Oxodeoxycoformycin", + "names": [ + "8-Oxodeoxycoformycin" + ] + }, + { + "compound_id": "C02960", + "inchi": null, + "name": "Ceramide 1-phosphate", + "names": [ + "Ceramide 1-phosphate", + "Ceramide phosphate" + ] + }, + { + "compound_id": "C02961", + "inchi": "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7?,8-/m1/s1", + "name": "Cytosine arabinoside", + "names": [ + "Cytarabine", + "Cytosine arabinoside", + "Cytosine-1-beta-D-arabinofuranoside" + ] + }, + { + "compound_id": "C02962", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1", + "name": "D-Allose 6-phosphate", + "names": [ + "D-Allose 6-phosphate" + ] + }, + { + "compound_id": "C02964", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10?,11-,12?/m1/s1", + "name": "D-Glucosyl-D-mannose", + "names": [ + "D-Glucosyl-D-mannose" + ] + }, + { + "compound_id": "C02965", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)", + "name": "D-Hexose 6-phosphate", + "names": [ + "D-Hexose 6-phosphate" + ] + }, + { + "compound_id": "C02967", + "inchi": null, + "name": "DNA 5-methylcytosine", + "names": [ + "5-Methylcytosine (in DNA)", + "DNA 5-methylcytosine", + "DNA containing 5-methylcytosine" + ] + }, + { + "compound_id": "C02970", + "inchi": "InChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-", + "name": "Decaprenol phosphate", + "names": [ + "Decaprenol phosphate", + "mono-trans, poly-cis-Decaprenyl phosphate" + ] + }, + { + "compound_id": "C02972", + "inchi": null, + "name": "Dihydrolipoylprotein", + "names": [ + "Dihydrolipoylprotein", + "[H Protein]-dihydrolipoyllysine" + ] + }, + { + "compound_id": "C02975", + "inchi": "InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3", + "name": "Ethyl 3-oxohexanoate", + "names": [ + "Ethyl 3-oxohexanoate", + "Ethyl butyrylacetate" + ] + }, + { + "compound_id": "C02977", + "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7+,8-,9+,10-,11+,14-,15-/m1/s1", + "name": "GDP-6-deoxy-D-talose", + "names": [ + "GDP-6-deoxy-D-talose" + ] + }, + { + "compound_id": "C02979", + "inchi": "InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)", + "name": "Glycerol 2-phosphate", + "names": [ + "Glycerol 2-phosphate", + "beta-Glycerophosphoric acid" + ] + }, + { + "compound_id": "C02980", + "inchi": "InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H", + "name": "Hydroxyanthraquinone", + "names": [ + "1-Hydroxyanthraquinone", + "Hydroxyanthraquinone" + ] + }, + { + "compound_id": "C02982", + "inchi": "InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16?,17?,18?,19-/m0/s1", + "name": "L-2-Hydroxyphytanate", + "names": [ + "L-2-Hydroxyphytanate" + ] + }, + { + "compound_id": "C02983", + "inchi": "InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1", + "name": "Abrine", + "names": [ + "Abrine", + "L-Abrine" + ] + }, + { + "compound_id": "C02984", + "inchi": null, + "name": "L-Aspartyl-tRNA(Asp)", + "names": [ + "L-Aspartyl-tRNA(Asp)" + ] + }, + { + "compound_id": "C02985", + "inchi": "InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1", + "name": "L-Fucose 1-phosphate", + "names": [ + "6-Deoxy-L-galactose 1-phosphate", + "L-Fucose 1-phosphate", + "beta-L-Fucose 1-phosphate" + ] + }, + { + "compound_id": "C02986", + "inchi": null, + "name": "L-Glutaminyl-peptide", + "names": [ + "L-Glutaminyl-peptide" + ] + }, + { + "compound_id": "C02987", + "inchi": null, + "name": "L-Glutamyl-tRNA(Glu)", + "names": [ + "L-Glutamyl-tRNA(Glu)" + ] + }, + { + "compound_id": "C02988", + "inchi": null, + "name": "L-Histidyl-tRNA(His)", + "names": [ + "L-Histidyl-tRNA(His)", + "L-histidyl-tRNA-his", + "l-histidyl-trna-his" + ] + }, + { + "compound_id": "C02989", + "inchi": "InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1", + "name": "L-Methionine S-oxide", + "names": [ + "L-Methionine S-oxide" + ] + }, + { + "compound_id": "C02990", + "inchi": "InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1", + "name": "L-Palmitoylcarnitine", + "names": [ + "L-Palmitoylcarnitine" + ] + }, + { + "compound_id": "C02991", + "inchi": "InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4+,5-/m0/s1", + "name": "L-Rhamnono-1,4-lactone", + "names": [ + "L-Rhamno-1,4-lactone", + "L-Rhamnono-1,4-lactone" + ] + }, + { + "compound_id": "C02992", + "inchi": null, + "name": "L-Threonyl-tRNA(Thr)", + "names": [ + "L-Threonyl-tRNA(Thr)", + "l-threonyl-trna-thr" + ] + }, + { + "compound_id": "C02993", + "inchi": "InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1", + "name": "Kyotorphin", + "names": [ + "Kyotorphin", + "L-Tyrosyl-L-arginine" + ] + }, + { + "compound_id": "C02994", + "inchi": "InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3+,4-/m0/s1", + "name": "L-Xylono-1,4-lactone", + "names": [ + "L-Xylono-1,4-lactone" + ] + }, + { + "compound_id": "C02995", + "inchi": "InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1", + "name": "Maltose 6'-phosphate", + "names": [ + "Maltose 6'-phosphate" + ] + }, + { + "compound_id": "C02996", + "inchi": "InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1", + "name": "Meclofenamate sodium", + "names": [ + "Meclofenamate sodium", + "Meclofenamic acid sodium salt" + ] + }, + { + "compound_id": "C02997", + "inchi": "InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1", + "name": "N-Acetyl-L-histidine", + "names": [ + "N-Acetyl-L-histidine" + ] + }, + { + "compound_id": "C02998", + "inchi": null, + "name": "N-Acetylarylalkylamine", + "names": [ + "N-Acetylaralkylamine", + "N-Acetylarylalkylamine" + ] + }, + { + "compound_id": "C02999", + "inchi": "InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/t5-,6-,8-,9-,10-,11-,14+/m1/s1", + "name": "N-Acetylmuramoyl-Ala", + "names": [ + "N-Acetyl-D-muramoyl-L-alanine", + "N-Acetylmuramoyl-Ala" + ] + }, + { + "compound_id": "C03000", + "inchi": null, + "name": "N-Acyl-D-glucosamine", + "names": [ + "N-Acyl-D-glucosamine" + ] + }, + { + "compound_id": "C03001", + "inchi": "InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1", + "name": "N-Benzoyl-D-arginine", + "names": [ + "N-Benzoyl-D-arginine" + ] + }, + { + "compound_id": "C03002", + "inchi": "InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+", + "name": "N-Caffeoylputrescine", + "names": [ + "N-Caffeoylputrescine" + ] + }, + { + "compound_id": "C03003", + "inchi": "InChI=1S/C12H15NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5H2/p+1/t7-,8-,9+,10-,11-/m1/s1", + "name": "N-Glucosylnicotinate", + "names": [ + "N-Glucosylnicotinate" + ] + }, + { + "compound_id": "C03004", + "inchi": "InChI=1S/C9H11NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,8,10-11,14H,5H2,(H,12,13)/t8-/m0/s1", + "name": "N-Hydroxy-L-tyrosine", + "names": [ + "N-Hydroxy-L-tyrosine" + ] + }, + { + "compound_id": "C03005", + "inchi": "InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)", + "name": "N-Methylanthranilate", + "names": [ + "2-(Methylamino)benzoic acid", + "N-Methylanthranilate", + "N-Methylanthranilic acid" + ] + }, + { + "compound_id": "C03007", + "inchi": "InChI=1S/C6H8N2O/c1-2-6(9)8-4-3-7-5-8/h3-5H,2H2,1H3", + "name": "1-(1-Oxopropyl)-1H-imidazole", + "names": [ + "1-(1-Oxopropyl)-1H-imidazole", + "N-Propanoylimidazole", + "N-Propionylimidazole" + ] + }, + { + "compound_id": "C03009", + "inchi": "InChI=1S/C19H36N4O11/c1-5(25)23-11-8(26)4-31-19(14(11)29)34-17-7(21)2-6(20)16(15(17)30)33-18-10(22)13(28)12(27)9(3-24)32-18/h6-19,24,26-30H,2-4,20-22H2,1H3,(H,23,25)/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16?,17?,18?,19?/m0/s1", + "name": "N3'-Acetylgentamicin", + "names": [ + "N3'-Acetylgentamicin" + ] + }, + { + "compound_id": "C03010", + "inchi": "InChI=1S/C20H39N5O10/c1-6(27)25-13-14(29)12(5-26)33-20(15(13)30)35-18-8(23)2-7(22)17(16(18)31)34-19-9(24)3-10(28)11(4-21)32-19/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)", + "name": "N3'-Acetyltobramycin", + "names": [ + "N3'-Acetyltobramycin" + ] + }, + { + "compound_id": "C03011", + "inchi": null, + "name": "Nalpha-Acetylpeptide", + "names": [ + "Nalpha-Acetylpeptide" + ] + }, + { + "compound_id": "C03012", + "inchi": "InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H", + "name": "Naphthalene-1,2-diol", + "names": [ + "1,2-Dihydroxynaphthalene", + "1,2-Naphthalenediol", + "Naphthalene-1,2-diol", + "beta-Naphthohydroquinone" + ] + }, + { + "compound_id": "C03015", + "inchi": "InChI=1S/C4H8N2O4/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1", + "name": "O-Carbamoyl-L-serine", + "names": [ + "O-Carbamoyl-L-serine" + ] + }, + { + "compound_id": "C03016", + "inchi": null, + "name": "O-Phosphotropomyosin", + "names": [ + "O-Phosphotropomyosin", + "Phosphorylated tropomyosin", + "Tropomyosin phosphoserine" + ] + }, + { + "compound_id": "C03017", + "inchi": "InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3", + "name": "O-Propanoylcarnitine", + "names": [ + "O-Propanoylcarnitine", + "O-Propionylcarnitine", + "l-propionylcarnitine" + ] + }, + { + "compound_id": "C03018", + "inchi": null, + "name": "Oligoglycosylglucose", + "names": [ + "Oligoglycosylglucose" + ] + }, + { + "compound_id": "C03019", + "inchi": "InChI=1S/C24H34O7/c1-6-7-17(26)31-24-18(21(24,4)5)15-9-14(11-25)10-22(29)16(8-12(2)19(22)27)23(15,30)13(3)20(24)28/h8-9,13,15-16,18,20,25,28-30H,6-7,10-11H2,1-5H3/t13-,15+,16-,18-,20-,22-,23-,24-/m1/s1", + "name": "Phorbol 13-butanoate", + "names": [ + "Phorbol 13-butanoate" + ] + }, + { + "compound_id": "C03021", + "inchi": null, + "name": "Protein asparagine", + "names": [ + "Protein L-asparagine", + "Protein asparagine" + ] + }, + { + "compound_id": "C03022", + "inchi": null, + "name": "Protein L-citrulline", + "names": [ + "Protein L-citrulline" + ] + }, + { + "compound_id": "C03023", + "inchi": null, + "name": "Peptide-L-methionine", + "names": [ + "Peptide-L-methionine" + ] + }, + { + "compound_id": "C03024", + "inchi": null, + "name": "Reduced flavoprotein", + "names": [ + "Reduced flavoprotein" + ] + }, + { + "compound_id": "C03025", + "inchi": null, + "name": "Reduced plastocyanin", + "names": [ + "Reduced plastocyanin" + ] + }, + { + "compound_id": "C03027", + "inchi": "InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1", + "name": "Testosterone acetate", + "names": [ + "Testosterone acetate" + ] + }, + { + "compound_id": "C03028", + "inchi": "InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1", + "name": "Thiamin triphosphate", + "names": [ + "Thiamin triphosphate", + "Thiamine triphosphate" + ] + }, + { + "compound_id": "C03029", + "inchi": null, + "name": "Transferrin[Fe(II)]2", + "names": [ + "Transferrin[Fe(II)]2" + ] + }, + { + "compound_id": "C03030", + "inchi": "InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)", + "name": "Uracil 5-carboxylate", + "names": [ + "5-Carboxyuracil", + "Uracil 5-carboxylate", + "Uracil 5-carboxylic acid" + ] + }, + { + "compound_id": "C03031", + "inchi": "InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "Uridine 2'-phosphate", + "names": [ + "Uridine 2'-phosphate" + ] + }, + { + "compound_id": "C03032", + "inchi": "InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1", + "name": "alpha-Cyclopiazonate", + "names": [ + "alpha-Cyclopiazonate", + "alpha-Cyclopiazonic acid" + ] + }, + { + "compound_id": "C03033", + "inchi": null, + "name": "beta-D-Glucuronoside", + "names": [ + "Glucuronide", + "O-beta-D-glucuronoside", + "beta-D-Glucuronide", + "beta-D-Glucuronoside" + ] + }, + { + "compound_id": "C03034", + "inchi": "InChI=1S/C16H24N2O17P2/c1-5-3-18(16(26)17-13(5)23)8-2-6(19)7(32-8)4-31-36(27,28)35-37(29,30)34-15-11(22)9(20)10(21)12(33-15)14(24)25/h3,6-12,15,19-22H,2,4H2,1H3,(H,24,25)(H,27,28)(H,29,30)(H,17,23,26)/t6-,7+,8+,9-,10+,11+,12-,15+/m0/s1", + "name": "dTDP-D-galacturonate", + "names": [ + "dTDP-D-galacturonate" + ] + }, + { + "compound_id": "C03035", + "inchi": "InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-,15-14-/t28-,32-,33-,34?,38-/m1/s1", + "name": "gamma-Linolenoyl-CoA", + "names": [ + "gamma-Linolenoyl-CoA" + ] + }, + { + "compound_id": "C03036", + "inchi": "InChI=1S/C17H14O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,19H,1-3H3/t17-/m0/s1", + "name": "(+)-Bisdechlorogeodin", + "names": [ + "(+)-Bisdechlorogeodin" + ] + }, + { + "compound_id": "C03037", + "inchi": "InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3", + "name": "(+)-Bornane-2,5-dione", + "names": [ + "(+)-Bornane-2,5-dione", + "2,5-Diketocamphane" + ] + }, + { + "compound_id": "C03039", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m1/s1", + "name": "(+)-trans-Piperitenol", + "names": [ + "(+)-trans-Piperitenol" + ] + }, + { + "compound_id": "C03040", + "inchi": "InChI=1S/C17H14O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,19H,1-3H3/t17-/m1/s1", + "name": "(-)-Bisdechlorogeodin", + "names": [ + "(-)-Bisdechlorogeodin" + ] + }, + { + "compound_id": "C03042", + "inchi": "InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1", + "name": "(R)-2-Hydroxystearate", + "names": [ + "(R)-2-Hydroxystearate" + ] + }, + { + "compound_id": "C03043", + "inchi": "InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1", + "name": "(R)-6-Hydroxynicotine", + "names": [ + "(R)-6-Hydroxynicotine" + ] + }, + { + "compound_id": "C03044", + "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1", + "name": "(R,R)-Butane-2,3-diol", + "names": [ + "(R,R)-2,3-Butanediol", + "(R,R)-2,3-Butylene glycol", + "(R,R)-Butane-2,3-diol" + ] + }, + { + "compound_id": "C03045", + "inchi": "InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1", + "name": "(S)-2-Hydroxystearate", + "names": [ + "(S)-2-Hydroxystearate" + ] + }, + { + "compound_id": "C03046", + "inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1", + "name": "(S,S)-Butane-2,3-diol", + "names": [ + "(S,S)-2,3-Butanediol", + "(S,S)-2,3-Butylene glycol", + "(S,S)-Butane-2,3-diol" + ] + }, + { + "compound_id": "C03047", + "inchi": "InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)", + "name": "Arcaine", + "names": [ + "1,4-Diguanidinobutane", + "Arcaine" + ] + }, + { + "compound_id": "C03049", + "inchi": "InChI=1S/C22H44O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)", + "name": "13-Hydroxydocosanoic acid", + "names": [ + "13-Hydroxydocosanoate", + "13-Hydroxydocosanoic acid" + ] + }, + { + "compound_id": "C03050", + "inchi": "InChI=1S/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15?,16?,17?,18?,19?/m0/s1", + "name": "16beta-Hydroxysteroid", + "names": [ + "16beta-Hydroxysteroid" + ] + }, + { + "compound_id": "C03051", + "inchi": "InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14?,15?,16?,17-,18?,19?/m0/s1", + "name": "17beta-Hydroxysteroid", + "names": [ + "17beta-Hydroxysteroid" + ] + }, + { + "compound_id": "C03052", + "inchi": "InChI=1S/C15H12O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,13-14,16-20,22H/t13?,14-/m1/s1", + "name": "2,3-Dihydrogossypetin", + "names": [ + "2,3-Dihydrogossypetin" + ] + }, + { + "compound_id": "C03056", + "inchi": "InChI=1S/C5H5NO2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)", + "name": "2,6-Dihydroxypyridine", + "names": [ + "2,6-Dihydroxypyridine" + ] + }, + { + "compound_id": "C03057", + "inchi": "InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)", + "name": "2-Carboxybenzaldehyde", + "names": [ + "2-Carboxybenzaldehyde", + "2-Formylbenzoate", + "2-Formylbenzoic acid", + "Phthalaldehydic acid", + "o-Formylbenzoic acid" + ] + }, + { + "compound_id": "C03058", + "inchi": "InChI=1S/C26H42N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,34,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,18-,19-,20?,24-/m1/s1", + "name": "2-Hydroxyglutaryl-CoA", + "names": [ + "2-Hydroxyglutaryl-CoA" + ] + }, + { + "compound_id": "C03059", + "inchi": "InChI=1S/C4H9NO4/c5-4(1-6,2-7)3(8)9/h6-7H,1-2,5H2,(H,8,9)", + "name": "2-Hydroxymethylserine", + "names": [ + "2-Hydroxymethylserine" + ] + }, + { + "compound_id": "C03062", + "inchi": "InChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/b4-2+/t10-,11-,12-,13+/m0/s1", + "name": "2-O-Caffeoylglucarate", + "names": [ + "2-O-Caffeoylglucarate" + ] + }, + { + "compound_id": "C03063", + "inchi": "InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/b3-1-", + "name": "2-Oxohept-3-enedioate", + "names": [ + "2-Oxohept-3-ene-1,7-dioate", + "2-Oxohept-3-enedioate" + ] + }, + { + "compound_id": "C03064", + "inchi": "InChI=1S/C4H6O5/c5-1-2(6)3(7)4(8)9/h3,5,7H,1H2,(H,8,9)/t3-/m1/s1", + "name": "3-Dehydro-L-threonate", + "names": [ + "3-Dehydro-L-threonate", + "3-oxo-l-threonate" + ] + }, + { + "compound_id": "C03065", + "inchi": "InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)", + "name": "3-Guanidinopropanoate", + "names": [ + "3-Guanidinopropanoate", + "Guanidinopropionic acid" + ] + }, + { + "compound_id": "C03066", + "inchi": "InChI=1S/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)/t2?,4-/m0/s1", + "name": "3-Hydroxy-L-glutamate", + "names": [ + "3-Hydroxy-L-glutamate", + "3-Hydroxy-L-glutamic acid" + ] + }, + { + "compound_id": "C03067", + "inchi": "InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H", + "name": "3-Hydroxybenzaldehyde", + "names": [ + "3-Hydroxybenzaldehyde" + ] + }, + { + "compound_id": "C03068", + "inchi": "InChI=1S/C12H16N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6,18H,3-5,7H2,1-2H3", + "name": "3-Hydroxyhexobarbital", + "names": [ + "3-Hydroxyhexobarbital" + ] + }, + { + "compound_id": "C03069", + "inchi": "InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", + "name": "3-Methylcrotonyl-CoA", + "names": [ + "3-Methylbut-2-enoyl-CoA", + "3-Methylcrotonoyl-CoA", + "3-Methylcrotonyl-CoA", + "Dimethylacryloyl-CoA" + ] + }, + { + "compound_id": "C03070", + "inchi": "InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16+,18-,19+,20-,21-,23-,24+/m0/s1", + "name": "3-Oxo-5beta-cholanate", + "names": [ + "3-Oxo-5beta-cholanate" + ] + }, + { + "compound_id": "C03071", + "inchi": "InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h2H,1H2,(H,5,6)(H,7,8)", + "name": "3-aci-Nitropropanoate", + "names": [ + "3-aci-Nitropropanoate", + "3-aci-Nitropropionic acid" + ] + }, + { + "compound_id": "C03072", + "inchi": "InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18?,19?/m1/s1", + "name": "3alpha-Hydroxysteroid", + "names": [ + "3alpha-Hydroxysteroid" + ] + }, + { + "compound_id": "C03074", + "inchi": "InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)14-10-19-15-5-3-2-4-13(15)16(14)17/h2-10H,1H3", + "name": "4'-O-Methylisoflavone", + "names": [ + "4'-O-Methylisoflavone" + ] + }, + { + "compound_id": "C03076", + "inchi": "InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)", + "name": "4-Bromophenylacetate", + "names": [ + "4-Bromophenylacetate", + "4-Bromophenylacetic acid" + ] + }, + { + "compound_id": "C03077", + "inchi": "InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)", + "name": "4-Chlorophenylacetate", + "names": [ + "4-Chlorophenylacetate", + "4-Chlorophenylacetic acid" + ] + }, + { + "compound_id": "C03078", + "inchi": "InChI=1S/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)", + "name": "4-Guanidinobutanamide", + "names": [ + "4-Guanidinobutanamide" + ] + }, + { + "compound_id": "C03079", + "inchi": "InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3?/m0/s1", + "name": "4-Hydroxy-L-glutamate", + "names": [ + "4-Hydroxy-L-glutamate", + "4-Hydroxy-L-glutamic acid" + ] + }, + { + "compound_id": "C03080", + "inchi": "InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)", + "name": "4-Hydroxyhydratropate", + "names": [ + "4-Hydroxyhydratropate" + ] + }, + { + "compound_id": "C03081", + "inchi": "InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3", + "name": "4-Methylumbelliferone", + "names": [ + "4-Methylumbelliferone", + "Hymecromone" + ] + }, + { + "compound_id": "C03082", + "inchi": "InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1", + "name": "4-Phospho-L-aspartate", + "names": [ + "4-Phospho-L-aspartate", + "L-4-Aspartyl phosphate" + ] + }, + { + "compound_id": "C03083", + "inchi": null, + "name": "4-Substituted anilide", + "names": [ + "4-Substituted anilide" + ] + }, + { + "compound_id": "C03084", + "inchi": null, + "name": "4-Substituted aniline", + "names": [ + "4-Substituted aniline" + ] + }, + { + "compound_id": "C03085", + "inchi": null, + "name": "5'-Acylphosphoinosine", + "names": [ + "5'-Acylphosphoinosine" + ] + }, + { + "compound_id": "C03086", + "inchi": null, + "name": "5'-Acylphosphouridine", + "names": [ + "5'-Acylphosphouridine" + ] + }, + { + "compound_id": "C03087", + "inchi": "InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)", + "name": "5-Acetamidopentanoate", + "names": [ + "5-Acetamidopentanoate" + ] + }, + { + "compound_id": "C03088", + "inchi": "InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)", + "name": "5-Hydroxymethyluracil", + "names": [ + "5-Hydroxymethyluracil" + ] + }, + { + "compound_id": "C03089", + "inchi": "InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1", + "name": "5-Methylthio-D-ribose", + "names": [ + "5-Methylthio-D-ribose", + "S-Methyl-5-thio-D-ribose" + ] + }, + { + "compound_id": "C03090", + "inchi": "InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1", + "name": "5-Phosphoribosylamine", + "names": [ + "5-Phospho-D-ribosylamine", + "5-Phospho-beta-D-ribosylamine", + "5-Phosphoribosyl-1-amine", + "5-Phosphoribosylamine" + ] + }, + { + "compound_id": "C03091", + "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "5beta-Cholestan-3-one", + "names": [ + "5beta-Cholestan-3-one", + "Coprostan-3-one" + ] + }, + { + "compound_id": "C03092", + "inchi": "InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10?/m0/s1", + "name": "6-endo-Hydroxycineole", + "names": [ + "6-endo-Hydroxycineole" + ] + }, + { + "compound_id": "C03093", + "inchi": "InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H", + "name": "7,8-Dihydroxycoumarin", + "names": [ + "7,8-Dihydroxycoumarin", + "Daphnetin" + ] + }, + { + "compound_id": "C03095", + "inchi": null, + "name": "N-Aminoacyl-L-histidine", + "names": [ + "N-Aminoacyl-L-histidine" + ] + }, + { + "compound_id": "C03097", + "inchi": "InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1", + "name": "Aryl beta-D-glucoside", + "names": [ + "Aryl beta-D-glucoside" + ] + }, + { + "compound_id": "C03098", + "inchi": "InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2", + "name": "Benzyl isothiocyanate", + "names": [ + "Benzyl isothiocyanate" + ] + }, + { + "compound_id": "C03101", + "inchi": null, + "name": "Coagulation Factor IX", + "names": [ + "Coagulation Factor IX" + ] + }, + { + "compound_id": "C03103", + "inchi": null, + "name": "Cyclobutadipyrimidine", + "names": [ + "Cyclobutadipyrimidine", + "Cyclobutadipyrimidine (in DNA)" + ] + }, + { + "compound_id": "C03104", + "inchi": "InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "Cytidine 2'-phosphate", + "names": [ + "2'-Cytidylic acid", + "Cytidine 2'-monophosphate", + "Cytidine 2'-phosphate" + ] + }, + { + "compound_id": "C03105", + "inchi": null, + "name": "Cytochrome c L-lysine", + "names": [ + "Cytochrome c L-lysine" + ] + }, + { + "compound_id": "C03106", + "inchi": null, + "name": "D-Galactosaminoglycan", + "names": [ + "D-Galactosaminoglycan" + ] + }, + { + "compound_id": "C03107", + "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3?,4-,5-/m1/s1", + "name": "D-Glucono-1,4-lactone", + "names": [ + "D-Glucono-1,4-lactone" + ] + }, + { + "compound_id": "C03108", + "inchi": "InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21+,22-,23+,24+/m0/s1", + "name": "D-Glucosylsphingosine", + "names": [ + "D-Glucosylsphingosine" + ] + }, + { + "compound_id": "C03109", + "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4-/m1/s1", + "name": "D-Threose 4-phosphate", + "names": [ + "D-Threose 4-phosphate" + ] + }, + { + "compound_id": "C03110", + "inchi": null, + "name": "DNA N4-methylcytosine", + "names": [ + "DNA N4-methylcytosine" + ] + }, + { + "compound_id": "C03112", + "inchi": "InChI=1S/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)/t7-,9-,12-/m1/s1", + "name": "Deacetylcephalosporin C", + "names": [ + "Deacetylcephalosporin C" + ] + }, + { + "compound_id": "C03113", + "inchi": "InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)", + "name": "Diisopropyl phosphate", + "names": [ + "Diisopropyl phosphate" + ] + }, + { + "compound_id": "C03114", + "inchi": "InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)", + "name": "Dimethylbenzimidazole", + "names": [ + "5,6-Dimethylbenzimidazole", + "Dimethylbenzimidazole" + ] + }, + { + "compound_id": "C03115", + "inchi": "InChI=1S/C15H29O10P3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-23-27(19,20)25-28(21,22)24-26(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)(H2,16,17,18)/b14-9+,15-11+", + "name": "Farnesyl triphosphate", + "names": [ + "Farnesyl triphosphate" + ] + }, + { + "compound_id": "C03117", + "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1", + "name": "GDP-6-deoxy-D-mannose", + "names": [ + "GDP-6-deoxy-D-mannose", + "GDP-D-rhamnose" + ] + }, + { + "compound_id": "C03120", + "inchi": null, + "name": "Glycerophosphodiester", + "names": [ + "Glycerophosphodiester" + ] + }, + { + "compound_id": "C03121", + "inchi": null, + "name": "Glycoprotein inositol", + "names": [ + "Glycoprotein inositol" + ] + }, + { + "compound_id": "C03122", + "inchi": null, + "name": "Haloaromatic compound", + "names": [ + "Haloaromatic compound" + ] + }, + { + "compound_id": "C03124", + "inchi": "InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1", + "name": "beta-L-Aspartylhydroxamate", + "names": [ + "beta-L-Aspartylhydroxamate" + ] + }, + { + "compound_id": "C03125", + "inchi": null, + "name": "L-Cysteinyl-tRNA(Cys)", + "names": [ + "L-Cysteinyl-tRNA(Cys)" + ] + }, + { + "compound_id": "C03126", + "inchi": "InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6?/m0/s1", + "name": "L-Iduronate 2-sulfate", + "names": [ + "L-Iduronate 2-sulfate" + ] + }, + { + "compound_id": "C03127", + "inchi": null, + "name": "L-Isoleucyl-tRNA(Ile)", + "names": [ + "L-Isoleucyl-tRNA(Ile)", + "L-isoleucyl-tRNA-ile", + "l-isoleucyl-trna-ile" + ] + }, + { + "compound_id": "C03129", + "inchi": null, + "name": "Long-chain acid anion", + "names": [ + "Long-chain acid anion" + ] + }, + { + "compound_id": "C03130", + "inchi": null, + "name": "Lower primary alcohol", + "names": [ + "Lower primary alcohol" + ] + }, + { + "compound_id": "C03134", + "inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3", + "name": "N,N-Dimethylformamide", + "names": [ + "DMF", + "N,N-Dimethylformamide", + "N,N-Dimethylmethanamide" + ] + }, + { + "compound_id": "C03135", + "inchi": null, + "name": "N-Acetyl-D-amino acid", + "names": [ + "N-Acetyl-D-amino acid" + ] + }, + { + "compound_id": "C03136", + "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5?,6?,7?,8?/m1/s1", + "name": "N-Acetyl-D-hexosamine", + "names": [ + "N-Acetyl-D-hexosamine" + ] + }, + { + "compound_id": "C03137", + "inchi": "InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m1/s1", + "name": "N-Acetyl-D-tryptophan", + "names": [ + "N-Acetyl-D-tryptophan" + ] + }, + { + "compound_id": "C03139", + "inchi": "InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/t2-/m0/s1", + "name": "N-Amidino-L-aspartate", + "names": [ + "Guanidinosuccinic acid", + "N-Amidino-L-aspartate", + "N-Amidino-L-aspartic acid" + ] + }, + { + "compound_id": "C03140", + "inchi": "InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1", + "name": "N-Amidino-L-glutamate", + "names": [ + "N-Amidino-L-glutamate" + ] + }, + { + "compound_id": "C03141", + "inchi": "InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)", + "name": "N-Benzoylanthranilate", + "names": [ + "2-Benzoylaminobenzoic acid", + "N-Benzoylanthranilate" + ] + }, + { + "compound_id": "C03142", + "inchi": "InChI=1S/C12H17NO5/c14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9-,10+,11-,12-/m1/s1", + "name": "N-D-Glucosylarylamine", + "names": [ + "N-D-Glucosylarylamine" + ] + }, + { + "compound_id": "C03145", + "inchi": "InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1", + "name": "N-Formylmethionine", + "names": [ + "N-Formyl-L-methionine", + "N-Formylmethionine" + ] + }, + { + "compound_id": "C03146", + "inchi": "InChI=1S/C8H15NO7/c10-1-3-6(13)7(14)5(8(15)16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6-,7-,8-/m1/s1", + "name": "N-Glycolyl-D-glucosamine", + "names": [ + "N-Glycolyl-D-glucosamine" + ] + }, + { + "compound_id": "C03147", + "inchi": "InChI=1S/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,16)", + "name": "N-Malonylanthranilate", + "names": [ + "N-Malonylanthranilate" + ] + }, + { + "compound_id": "C03148", + "inchi": null, + "name": "N-Methyl-L-amino acid", + "names": [ + "N-Methyl-L-amino acid" + ] + }, + { + "compound_id": "C03149", + "inchi": "InChI=1S/C3H10N3O6PS/c4-3(6-13(7,8)9)5-1-2-14(10,11)12/h1-2H2,(H,10,11,12)(H5,4,5,6,7,8,9)", + "name": "N-Phosphotaurocyamine", + "names": [ + "N(omega)-Phosphotaurocyamine", + "N-Phosphotaurocyamine", + "Phosphotaurocyamine", + "Taurocyamine phosphate", + "n-w-phosphotaurocyamine", + "phosphotaurocyamine" + ] + }, + { + "compound_id": "C03150", + "inchi": "InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1", + "name": "Nicotinamide-beta-riboside", + "names": [ + "1-(beta-D-Ribofuranosyl)nicotinamide", + "N-Ribosylnicotinamide", + "Nicotinamide-beta-riboside", + "nicotinamide riboside" + ] + }, + { + "compound_id": "C03151", + "inchi": null, + "name": "N2-Acylated Arg-CH2Cl", + "names": [ + "N2-Acylated Arg-CH2Cl" + ] + }, + { + "compound_id": "C03152", + "inchi": null, + "name": "N2-Acylated Lys-CH2Cl", + "names": [ + "N2-Acylated Lys-CH2Cl" + ] + }, + { + "compound_id": "C03153", + "inchi": "InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1", + "name": "N5-Methyl-L-glutamine", + "names": [ + "N5-Methyl-L-glutamine" + ] + }, + { + "compound_id": "C03154", + "inchi": "InChI=1S/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1", + "name": "N6'-Acetylkanamycin-B", + "names": [ + "N6'-Acetylkanamycin-B" + ] + }, + { + "compound_id": "C03156", + "inchi": "InChI=1S/C16H18O11/c1-26-9-6-7(2-4-8(9)17)3-5-10(18)27-14(16(24)25)12(20)11(19)13(21)15(22)23/h2-6,11-14,17,19-21H,1H3,(H,22,23)(H,24,25)/b5-3+/t11-,12+,13+,14-/m1/s1", + "name": "O-Feruloylgalactarate", + "names": [ + "2'-(E)-O-Feruloylgalactaric acid", + "O-Feruloylgalactarate", + "O-Feruloylgalactaric acid" + ] + }, + { + "compound_id": "C03157", + "inchi": null, + "name": "O-Phospho-tau-protein", + "names": [ + "O-Phospho-tau-protein" + ] + }, + { + "compound_id": "C03160", + "inchi": "InChI=1S/C32H44N7O20P3S/c1-32(2,26(44)29(45)35-10-9-21(41)34-11-12-63-22(42)8-7-19(40)17-5-3-4-6-18(17)31(46)47)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(43)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,43-44H,7-14H2,1-2H3,(H,34,41)(H,35,45)(H,46,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t20-,24-,25-,26?,30-/m1/s1", + "name": "2-Succinylbenzoyl-CoA", + "names": [ + "2-Succinylbenzoyl-CoA", + "Succinylbenzoyl-CoA", + "o-Succinylbenzoyl-CoA" + ] + }, + { + "compound_id": "C03161", + "inchi": null, + "name": "Oxidized flavoprotein", + "names": [ + "Oxidized flavoprotein" + ] + }, + { + "compound_id": "C03162", + "inchi": null, + "name": "Oxidized plastocyanin", + "names": [ + "Oxidized plastocyanin" + ] + }, + { + "compound_id": "C03164", + "inchi": "InChI=1S/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H", + "name": "Phenanthrene-3,4-diol", + "names": [ + "3,4-Dihydroxyphenanthrene", + "Phenanthrene-3,4-diol" + ] + }, + { + "compound_id": "C03166", + "inchi": "InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11)", + "name": "Phosphoguanidinoacetate", + "names": [ + "Guanidinoacetate phosphate", + "Phosphoguanidinoacetate" + ] + }, + { + "compound_id": "C03167", + "inchi": "InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)", + "name": "Phosphonoacetaldehyde", + "names": [ + "2-Oxoethylphosphonate", + "2-Phosphonoacetaldehyde", + "Phosphonoacetaldehyde" + ] + }, + { + "compound_id": "C03168", + "inchi": null, + "name": "Poly(D-galactosamine)", + "names": [ + "Poly(D-galactosamine)" + ] + }, + { + "compound_id": "C03169", + "inchi": "InChI=1S/C9H13N2O4/c12-4-6-7(13)8(14)9(15-6)11-3-1-2-10-5-11/h1-3,5-9,12-14H,4H2/q+1/t6-,7-,8-,9-/m1/s1", + "name": "Pyrimidine nucleoside", + "names": [ + "N-D-Ribosylpyrimidine", + "Pyrimidine nucleoside" + ] + }, + { + "compound_id": "C03170", + "inchi": "InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1", + "name": "Trypanothione disulfide", + "names": [ + "Oxidized trypanothione", + "Trypanothione disulfide" + ] + }, + { + "compound_id": "C03172", + "inchi": "InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1", + "name": "S-Methyl-L-methionine", + "names": [ + "S-Methyl-L-methionine" + ] + }, + { + "compound_id": "C03173", + "inchi": "InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)", + "name": "S-Methylthioglycolate", + "names": [ + "(Methylthio)acetic acid", + "S-Methylthioglycolate" + ] + }, + { + "compound_id": "C03174", + "inchi": "InChI=1S/C14H21N3O9S/c15-7(14(25)26)1-2-9(18)17-8(13(24)16-5-11(21)22)6-27-12(23)4-3-10(19)20/h7-8H,1-6,15H2,(H,16,24)(H,17,18)(H,19,20)(H,21,22)(H,25,26)/t7-,8-/m0/s1", + "name": "S-Succinylglutathione", + "names": [ + "S-Succinylglutathione" + ] + }, + { + "compound_id": "C03175", + "inchi": "InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1", + "name": "Shikimate 3-phosphate", + "names": [ + "Shikimate 3-phosphate", + "Shikimate 5-phosphate" + ] + }, + { + "compound_id": "C03176", + "inchi": "InChI=1S/C19H32O2/c1-18-9-3-4-16(18)15-6-5-13-12-14(21-20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3", + "name": "Steroid hydroperoxide", + "names": [ + "Steroid hydroperoxide" + ] + }, + { + "compound_id": "C03177", + "inchi": "InChI=1S/C6H15N2O7P/c7-1-3(9)2(8)5(11)6(4(1)10)15-16(12,13)14/h1-6,9-11H,7-8H2,(H2,12,13,14)/t1-,2+,3-,4+,5-,6-", + "name": "Streptamine phosphate", + "names": [ + "Streptamine phosphate" + ] + }, + { + "compound_id": "C03178", + "inchi": "InChI=1S/C6H4N4O4/c11-3-1-2(9-6(14)10-3)8-5(13)4(12)7-1/h(H,7,12)(H3,8,9,10,11,13,14)", + "name": "Tetrahydroxypteridine", + "names": [ + "Tetrahydroxypteridine" + ] + }, + { + "compound_id": "C03179", + "inchi": null, + "name": "Transferrin[Fe(III)]2", + "names": [ + "Transferrin[Fe(III)]2" + ] + }, + { + "compound_id": "C03183", + "inchi": "InChI=1S/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1", + "name": "Z-Gly-Pro-Leu-Gly-Pro", + "names": [ + "Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline", + "N-[(Phenylmethoxy)carbonyl]glycyl-L-prolyl-L-leucylglycyl-L-proline", + "Z-Gly-Pro-Leu-Gly-Pro" + ] + }, + { + "compound_id": "C03184", + "inchi": "InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;", + "name": "Zinc protoporphyrin-9", + "names": [ + "Zinc protoporphyrin", + "Zinc protoporphyrin-9" + ] + }, + { + "compound_id": "C03185", + "inchi": null, + "name": "[Glycogen-synthase D]", + "names": [ + "[Glycogen-synthase D]" + ] + }, + { + "compound_id": "C03186", + "inchi": null, + "name": "[Glycogen-synthase I]", + "names": [ + "[Glycogen-synthase I]" + ] + }, + { + "compound_id": "C03187", + "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11+,12+,13+,15+/m0/s1", + "name": "dTDP-6-deoxy-L-talose", + "names": [ + "dTDP-6-deoxy-L-talose" + ] + }, + { + "compound_id": "C03188", + "inchi": "InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1", + "name": "omega-Carboxyacyl-CoA", + "names": [ + "omega-Carboxyacyl-CoA" + ] + }, + { + "compound_id": "C03189", + "inchi": "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)", + "name": "DL-Glycerol 1-phosphate", + "names": [ + "DL-Glycerol 1-phosphate", + "DL-Glycerol 3-phosphate", + "DL-Glyceryl 1-phosphate", + "Glycerol 1-phosphate", + "rac-Glycerol 1-phosphate" + ] + }, + { + "compound_id": "C03190", + "inchi": "InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7?,8-,10?/m0/s1", + "name": "(+)-Bornyl-diphosphate", + "names": [ + "(+)-Bornyl diphosphate", + "(+)-Bornyl-diphosphate" + ] + }, + { + "compound_id": "C03193", + "inchi": null, + "name": "(5-L-Glutamyl)-peptide", + "names": [ + "(5-L-Glutamyl)-peptide" + ] + }, + { + "compound_id": "C03194", + "inchi": "InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1", + "name": "(R)-1-Aminopropan-2-ol", + "names": [ + "(R)-1-Amino-2-propanol", + "(R)-1-Aminopropan-2-ol" + ] + }, + { + "compound_id": "C03195", + "inchi": "InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1", + "name": "(R)-10-Hydroxystearate", + "names": [ + "(R)-10-Hydroxystearate" + ] + }, + { + "compound_id": "C03196", + "inchi": "InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1", + "name": "(S)-2-Hydroxyglutarate", + "names": [ + "(S)-2-Hydroxyglutarate" + ] + }, + { + "compound_id": "C03197", + "inchi": "InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1", + "name": "(S)-3-Hydroxybutanoate", + "names": [ + "(S)-3-Hydroxybutanoate" + ] + }, + { + "compound_id": "C03198", + "inchi": "InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1", + "name": "(S)-4-Hydroxymandelate", + "names": [ + "(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate", + "(S)-4-Hydroxymandelate" + ] + }, + { + "compound_id": "C03199", + "inchi": "InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1", + "name": "1,2-Didecanoylglycerol", + "names": [ + "1,2-Didecanoyl-sn-glycerol", + "1,2-Didecanoylglycerol" + ] + }, + { + "compound_id": "C03200", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16-,17+,18+/m1/s1", + "name": "1,3-beta-D-Oligoglucan", + "names": [ + "1,3-beta-D-Oligoglucan" + ] + }, + { + "compound_id": "C03201", + "inchi": null, + "name": "1-Alkyl-2-acylglycerol", + "names": [ + "1-Alkyl-2-acylglycerol", + "2-Acyl-1-alkyl-sn-glycerol" + ] + }, + { + "compound_id": "C03203", + "inchi": "InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)", + "name": "1-Hydroxy-2-naphthoate", + "names": [ + "1-Hydroxy-2-naphthoate", + "1-Hydroxy-2-naphthoic acid", + "1-Naphthol-2-carboxylic acid" + ] + }, + { + "compound_id": "C03204", + "inchi": "InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1", + "name": "10-Formyldihydrofolate", + "names": [ + "10-Formyldihydrofolate" + ] + }, + { + "compound_id": "C03205", + "inchi": "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1", + "name": "11-Deoxycorticosterone", + "names": [ + "11-Deoxycorticosterone", + "21-Hydroxy-4-pregnene-3,20-dione", + "Cortexone", + "DOC", + "Deoxycorticosterone", + "Desoxycortone" + ] + }, + { + "compound_id": "C03206", + "inchi": "InChI=1S/C22H22N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,10,15,25,27,31-32H,7H2,1-3H3,(H2,23,30)/t10-,15-,21+,22-/m0/s1", + "name": "5a,11a-Dehydrotetracycline", + "names": [ + "12-Dehydrotetracycline", + "5a,11a-Dehydrotetracycline" + ] + }, + { + "compound_id": "C03207", + "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1", + "name": "16-Dehydroprogesterone", + "names": [ + "16,17-Didehydroprogesterone", + "16-Dehydroprogesterone" + ] + }, + { + "compound_id": "C03209", + "inchi": "InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H", + "name": "2,2'-Dihydroxybiphenyl", + "names": [ + "2,2'-Dihydroxybiphenyl" + ] + }, + { + "compound_id": "C03210", + "inchi": "InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)", + "name": "Alanopine", + "names": [ + "2,2'-Iminodipropanoate", + "Alanopine", + "meso-N-(1-Carboxyethyl)-alanine" + ] + }, + { + "compound_id": "C03212", + "inchi": "InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)", + "name": "2,4-Dihydroxypteridine", + "names": [ + "2,4(3H,8H)-Pteridinedione", + "2,4-Dihydroxypteridine", + "Lumazine", + "Pteridine-2,4-dione" + ] + }, + { + "compound_id": "C03214", + "inchi": "InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)", + "name": "2-Amino-3-oxobutanoate", + "names": [ + "2-Amino-3-oxobutanoate", + "2-Amino-acetoacetate" + ] + }, + { + "compound_id": "C03215", + "inchi": "InChI=1S/C6H12O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3-4,7-10,13H,1-2H2,(H,11,12)/t3-,4-,6-/m1/s1", + "name": "Hamamelose", + "names": [ + "2-Carboxy-D-arabinitol", + "Hamamelose" + ] + }, + { + "compound_id": "C03217", + "inchi": "InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)", + "name": "2-Hydroxy-3-oxoadipate", + "names": [ + "2-Hydroxy-3-oxoadipate" + ] + }, + { + "compound_id": "C03218", + "inchi": "InChI=1S/C11H16N6O4/c1-13-11-15-8(12)5-9(16-11)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1", + "name": "2-Methylaminoadenosine", + "names": [ + "2-Methylaminoadenosine" + ] + }, + { + "compound_id": "C03219", + "inchi": "InChI=1S/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3+", + "name": "2-Methylpropanal oxime", + "names": [ + "2-Methylpropanal oxime", + "Isobutanal oxime", + "Isobutyraldehyde oxime" + ] + }, + { + "compound_id": "C03220", + "inchi": "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-", + "name": "2-cis,6-trans-Farnesol", + "names": [ + "2-cis,6-trans-Farnesol" + ] + }, + { + "compound_id": "C03221", + "inchi": "InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28?,32-/m1/s1", + "name": "2-trans-Dodecenoyl-CoA", + "names": [ + "(2E)-Dodec-2-enoyl-CoA", + "(2E)-Dodecenoyl-CoA", + "2-trans-Dodecenoyl-CoA" + ] + }, + { + "compound_id": "C03223", + "inchi": "InChI=1S/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)", + "name": "3,4-Dihydroxyphthalate", + "names": [ + "3,4-Dihydroxyphthalate", + "3,4-Dihydroxyphthalic acid" + ] + }, + { + "compound_id": "C03224", + "inchi": "InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1", + "name": "3,5-Dibromo-L-tyrosine", + "names": [ + "3,5-Dibromo-L-tyrosine" + ] + }, + { + "compound_id": "C03225", + "inchi": "InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1", + "name": "3,5-Dinitro-L-tyrosine", + "names": [ + "3,5-Dinitro-L-tyrosine" + ] + }, + { + "compound_id": "C03226", + "inchi": "InChI=1S/C53H80O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+", + "name": "3-Demethylubiquinone-9", + "names": [ + "3-Demethylubiquinone-9" + ] + }, + { + "compound_id": "C03227", + "inchi": "InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1", + "name": "3-Hydroxy-L-kynurenine", + "names": [ + "3-Hydroxy-L-kynurenine" + ] + }, + { + "compound_id": "C03228", + "inchi": "InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2", + "name": "3-Hydroxycyclohexanone", + "names": [ + "3-Hydroxycyclohexanone" + ] + }, + { + "compound_id": "C03230", + "inchi": "InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,10-11,13H", + "name": "(Indol-3-yl)glycolaldehyde", + "names": [ + "(Indol-3-yl)glycolaldehyde", + "3-Indoleglycolaldehyde" + ] + }, + { + "compound_id": "C03231", + "inchi": "InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-9+/t15-,20-,21-,22?,26-/m1/s1", + "name": "3-Methylglutaconyl-CoA", + "names": [ + "(E)-3-Methylglutaconyl-1-CoA", + "3-Methylglutaconyl-CoA", + "trans-3-Methylglutaconyl-CoA" + ] + }, + { + "compound_id": "C03232", + "inchi": "InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)", + "name": "3-Phosphonooxypyruvate", + "names": [ + "3-Phosphohydroxypyruvate", + "3-Phosphohydroxypyruvic acid", + "3-Phosphonooxypyruvate", + "3-Phosphonooxypyruvic acid" + ] + }, + { + "compound_id": "C03233", + "inchi": "InChI=1S/C8H6O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,9-10H,(H,11,12)(H,13,14)", + "name": "4,5-Dihydroxyphthalate", + "names": [ + "4,5-Dihydroxyphthalate", + "4,5-Dihydroxyphthalic acid" + ] + }, + { + "compound_id": "C03235", + "inchi": "InChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)", + "name": "4-Hydroxypheoxyacetate", + "names": [ + "4-Hydroxypheoxyacetate" + ] + }, + { + "compound_id": "C03236", + "inchi": null, + "name": "5'-Phosphodinucleotide", + "names": [ + "5'-Phosphodinucleotide" + ] + }, + { + "compound_id": "C03237", + "inchi": "InChI=1S/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t15-,19-,20-,21?,25-/m1/s1", + "name": "5-Hydroxypentanoyl-CoA", + "names": [ + "5-Hydroxypentanoyl-CoA" + ] + }, + { + "compound_id": "C03238", + "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "5alpha-Cholestan-3-one", + "names": [ + "5alpha-Cholestan-3-one" + ] + }, + { + "compound_id": "C03239", + "inchi": "InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)", + "name": "6-Amino-2-oxohexanoate", + "names": [ + "2-Oxo-6-aminocaproate", + "6-Amino-2-oxohexanoate" + ] + }, + { + "compound_id": "C03240", + "inchi": "InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1", + "name": "6-Deoxyerythronolide B", + "names": [ + "6-Deoxyerythronolide B" + ] + }, + { + "compound_id": "C03241", + "inchi": "InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9-5/h5,7H,1-4H2", + "name": "6-Hydroxyhexan-6-olide", + "names": [ + "6-Hydroxy-6-hexanolactone", + "6-Hydroxyhexan-6-olide" + ] + }, + { + "compound_id": "C03242", + "inchi": "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-", + "name": "(8Z,11Z,14Z)-Icosatrienoic acid", + "names": [ + "(8Z,11Z,14Z)-Icosatrienoic acid", + "(Z,Z,Z)-8,11,14-Eicosatrienoate", + "(Z,Z,Z)-8,11,14-Eicosatrienoic acid", + "(Z,Z,Z)-8,11,14-Icosatrienoate", + "(Z,Z,Z)-8,11,14-Icosatrienoic acid", + "8,11,14-Eicosatrienoate", + "8,11,14-Icosatrienoate", + "Dihomo-gamma-linolenic acid" + ] + }, + { + "compound_id": "C03243", + "inchi": "InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H", + "name": "9,10-Phenanthroquinone", + "names": [ + "9,10-Phenanthrenedione", + "9,10-Phenanthroquinone", + "Phenanthraquinone", + "Phenanthrenequinone" + ] + }, + { + "compound_id": "C03245", + "inchi": null, + "name": "ADP-D-ribosyl-acceptor", + "names": [ + "(ADP-D-ribosyl)n+1-acceptor", + "(ADP-D-ribosyl)n-acceptor", + "ADP-D-ribosyl-acceptor" + ] + }, + { + "compound_id": "C03246", + "inchi": "InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", + "name": "ADPribose 2'-phosphate", + "names": [ + "ADPribose 2'-phosphate" + ] + }, + { + "compound_id": "C03248", + "inchi": "InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)", + "name": "Acetylenedicarboxylate", + "names": [ + "2-Butynedioic acid", + "Acetylenedicarboxylate", + "Acetylenedicarboxylic acid" + ] + }, + { + "compound_id": "C03251", + "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1", + "name": "Aldohexose 6-phosphate", + "names": [ + "Aldohexose 6-phosphate" + ] + }, + { + "compound_id": "C03254", + "inchi": null, + "name": "Aryl dialkyl phosphate", + "names": [ + "Aryl dialkyl phosphate" + ] + }, + { + "compound_id": "C03256", + "inchi": "InChI=1S/C24H29NO4/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2/t19-,21-", + "name": "Cetraxate benzyl ester", + "names": [ + "Cetraxate benzyl ester" + ] + }, + { + "compound_id": "C03259", + "inchi": null, + "name": "Coagulation Factor IXa", + "names": [ + "Coagulation Factor IXa" + ] + }, + { + "compound_id": "C03260", + "inchi": null, + "name": "Coagulation Factor VII", + "names": [ + "Coagulation Factor VII" + ] + }, + { + "compound_id": "C03263", + "inchi": "InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)", + "name": "Coproporphyrinogen III", + "names": [ + "Coproporphyrinogen III" + ] + }, + { + "compound_id": "C03264", + "inchi": "InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1", + "name": "D-2-Hydroxyisocaproate", + "names": [ + "D-2-Hydroxyisocaproate" + ] + }, + { + "compound_id": "C03267", + "inchi": "InChI=1S/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1", + "name": "beta-D-Fructose 2-phosphate", + "names": [ + "beta-D-Fructofuranose 2-phosphate", + "beta-D-Fructose 2-phosphate" + ] + }, + { + "compound_id": "C03268", + "inchi": null, + "name": "D-Mannosylglycoprotein", + "names": [ + "D-Mannosylglycoprotein", + "Glycoprotein D-mannose" + ] + }, + { + "compound_id": "C03269", + "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-6,8-11H/t2-,3+,4+,5-,6?/m1/s1", + "name": "D-galacto-Hexodialdose", + "names": [ + "D-galacto-Hexodialdose" + ] + }, + { + "compound_id": "C03272", + "inchi": null, + "name": "Globoside", + "names": [ + "Globoside", + "Globoside I", + "N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide", + "N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide" + ] + }, + { + "compound_id": "C03273", + "inchi": "InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)", + "name": "5-Oxopentanoate", + "names": [ + "5-Oxopentanoate", + "Glutarate semialdehyde" + ] + }, + { + "compound_id": "C03274", + "inchi": "InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)", + "name": "Glycerophosphoglycerol", + "names": [ + "Glycerophosphoglycerol" + ] + }, + { + "compound_id": "C03277", + "inchi": "InChI=1S/C6H6N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3H,1H2,(H,7,8)(H,10,11)", + "name": "Imidazol-5-yl-pyruvate", + "names": [ + "3-(Imidazol-5-yl)pyruvate", + "Imidazol-5-yl-pyruvate", + "Imidazole pyruvate", + "Imidazole pyruvic acid" + ] + }, + { + "compound_id": "C03280", + "inchi": "InChI=1S/C11H12N4O7/c16-6-4(1-21-11(19)20)22-10(7(6)17)15-3-14-5-8(15)12-2-13-9(5)18/h2-4,6-7,10,16-17H,1H2,(H,19,20)(H,12,13,18)/t4-,6-,7-,10-/m1/s1", + "name": "Inosine-5'-carboxylate", + "names": [ + "Inosine-5'-carboxylate" + ] + }, + { + "compound_id": "C03281", + "inchi": "InChI=1S/C18H37N4O14P/c19-2-6-10(25)16(36-37(29,30)31)13(28)18(32-6)35-15-5(21)1-4(20)14(12(15)27)34-17-11(26)8(22)9(24)7(3-23)33-17/h4-18,23-28H,1-3,19-22H2,(H2,29,30,31)/t4-,5+,6-,7-,8+,9-,10-,11-,12-,13-,14+,15-,16+,17-,18-/m1/s1", + "name": "Kanamycin A 3'-phosphate", + "names": [ + "Kanamycin 3'-phosphate", + "Kanamycin A 3'-phosphate" + ] + }, + { + "compound_id": "C03283", + "inchi": "InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1", + "name": "L-2,4-Diaminobutanoate", + "names": [ + "L-2,4-Diaminobutanoate", + "L-2,4-Diaminobutyrate", + "alpha,gamma-Diaminobutyrate" + ] + }, + { + "compound_id": "C03284", + "inchi": "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1", + "name": "L-3-Amino-isobutanoate", + "names": [ + "(S)-3-Amino-2-methylpropanoate", + "(S)-3-Amino-isobutanoate", + "(S)-3-Amino-isobutyrate", + "L-3-Amino-isobutanoate", + "L-3-Amino-isobutyrate" + ] + }, + { + "compound_id": "C03287", + "inchi": "InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1", + "name": "L-Glutamyl 5-phosphate", + "names": [ + "L-Glutamate 5-phosphate", + "L-Glutamyl 5-phosphate" + ] + }, + { + "compound_id": "C03289", + "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3+,5+/m0/s1", + "name": "L-xylo-Hexulonolactone", + "names": [ + "L-xylo-Hex-2-ulono-1,4-lactone", + "L-xylo-Hexulonolactone" + ] + }, + { + "compound_id": "C03290", + "inchi": "InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1", + "name": "L-threo-3-Phenylserine", + "names": [ + "L-threo-3-Phenylserine" + ] + }, + { + "compound_id": "C03291", + "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m0/s1", + "name": "L-Xylulose 5-phosphate", + "names": [ + "L-Xylulose 5-phosphate" + ] + }, + { + "compound_id": "C03292", + "inchi": "InChI=1S/C17H24N2O4S/c1-11(2)8-14(17(22)23)19-16(21)13(18-15(20)10-24)9-12-6-4-3-5-7-12/h3-7,11,13-14,24H,8-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t13-,14-/m0/s1", + "name": "Mercaptoacetyl-Phe-Leu", + "names": [ + "Mercaptoacetyl-Phe-Leu" + ] + }, + { + "compound_id": "C03293", + "inchi": "InChI=1S/C17H19N6O8P/c18-14-11-15(20-6-19-14)23(7-21-11)16-13(25)12(24)10(31-16)5-30-32(28,29)22-9-4-2-1-3-8(9)17(26)27/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,26,27)(H2,18,19,20)(H2,22,28,29)/t10-,12-,13-,16-/m1/s1", + "name": "N-Adenylylanthranilate", + "names": [ + "N-Adenylylanthranilate" + ] + }, + { + "compound_id": "C03294", + "inchi": null, + "name": "N-Formylmethionyl-tRNA", + "names": [ + "N-Formylmethionyl-tRNA" + ] + }, + { + "compound_id": "C03296", + "inchi": "InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1", + "name": "N2-Succinyl-L-arginine", + "names": [ + "(2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid", + "N2-Succinyl-L-arginine" + ] + }, + { + "compound_id": "C03297", + "inchi": null, + "name": "N3-Acetylgentamicin C", + "names": [ + "3-N-Acetylgentamicin C", + "N3'-Acetylgentamicin C", + "N3-Acetylgentamicin C" + ] + }, + { + "compound_id": "C03298", + "inchi": "InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1", + "name": "Nalpha-Methylhistidine", + "names": [ + "N-Methyl-L-histidine", + "Nalpha-Methylhistidine" + ] + }, + { + "compound_id": "C03299", + "inchi": "InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/t15-/m1/s1", + "name": "O-Decanoyl-L-carnitine", + "names": [ + "O-Decanoyl-L-carnitine" + ] + }, + { + "compound_id": "C03300", + "inchi": "InChI=1S/C15H21N5O5/c1-8(4-24-15-12(23)11(22)9(21)5-25-15)2-3-16-13-10-14(18-6-17-10)20-7-19-13/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H2,16,17,18,19,20)/b8-2+/t9-,11+,12-,15-/m1/s1", + "name": "O-beta-D-Xylosylzeatin", + "names": [ + "O-beta-D-Xylosylzeatin", + "O-beta-D-Xyloxylzeatin" + ] + }, + { + "compound_id": "C03302", + "inchi": null, + "name": "Oxidized putidaredoxin", + "names": [ + "Oxidized putidaredoxin" + ] + }, + { + "compound_id": "C03303", + "inchi": null, + "name": "Peptidylamidoglycolate", + "names": [ + "Peptidyl(2-hydroxyglycine)", + "Peptidylamidoglycolate" + ] + }, + { + "compound_id": "C03305", + "inchi": "InChI=1S/C15H16N2O/c18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18)", + "name": "Prolyl-2-naphthylamide", + "names": [ + "Prolyl-2-naphthylamide" + ] + }, + { + "compound_id": "C03306", + "inchi": null, + "name": "Protein L-isoaspartate", + "names": [ + "Protein L-isoaspartate" + ] + }, + { + "compound_id": "C03309", + "inchi": "InChI=1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/t12-,15+,18+,21-/m1/s1", + "name": "Strictosidine aglycone", + "names": [ + "Strictosidine aglycone" + ] + }, + { + "compound_id": "C03311", + "inchi": "InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2", + "name": "Thien-2-ylacetonitrile", + "names": [ + "Thien-2-ylacetonitrile" + ] + }, + { + "compound_id": "C03312", + "inchi": "InChI=1S/C10H13N4O10P/c15-4-2(1-23-25(20,21)22)24-8(5(4)16)14-6-3(11-10(14)19)7(17)13-9(18)12-6/h2,4-5,8,15-16H,1H2,(H,11,19)(H2,20,21,22)(H2,12,13,17,18)/t2-,4-,5-,8-/m1/s1", + "name": "Urate D-ribonucleotide", + "names": [ + "Urate D-ribonucleotide" + ] + }, + { + "compound_id": "C03313", + "inchi": "InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1", + "name": "Phylloquinol", + "names": [ + "Phylloquinol", + "Phytonadiol", + "Vitamin K1 hydroquinone" + ] + }, + { + "compound_id": "C03314", + "inchi": "InChI=1S/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14)", + "name": "Xanthine-8-carboxylate", + "names": [ + "Xanthine-8-carboxylate" + ] + }, + { + "compound_id": "C03315", + "inchi": null, + "name": "[Dinitrogen reductase]", + "names": [ + "[Dinitrogen reductase]" + ] + }, + { + "compound_id": "C03317", + "inchi": null, + "name": "alpha-Amino acid ester", + "names": [ + "alpha-Amino acid ester" + ] + }, + { + "compound_id": "C03318", + "inchi": null, + "name": "alpha-Tubulin L-lysine", + "names": [ + "alpha-Tubulin L-lysine" + ] + }, + { + "compound_id": "C03319", + "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15+/m0/s1", + "name": "dTDP-6-deoxy-L-mannose", + "names": [ + "dTDP-6-deoxy-L-mannose", + "dTDP-L-rhamnose" + ] + }, + { + "compound_id": "C03323", + "inchi": "InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1", + "name": "(2,1-beta-D-Fructosyl)n", + "names": [ + "(1,2-beta-D-Fructosyl)m", + "(1,2-beta-D-Fructosyl)m-1", + "(1,2-beta-D-Fructosyl)n", + "(1,2-beta-D-Fructosyl)n+1", + "(2,1-beta-D-Fructosyl)n", + "(2,1-beta-D-Fructosyl)n+1", + "Inulin" + ] + }, + { + "compound_id": "C03325", + "inchi": "InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14?,15?,16?/m0/s1", + "name": "(6S)-Hydroxyhyoscyamine", + "names": [ + "(6S)-6-Hydroxyhyoscyamine", + "(6S)-Hydroxyhyoscyamine" + ] + }, + { + "compound_id": "C03326", + "inchi": "InChI=1S/C16H28N4O6/c1-9(14(23)19-10(2)16(25)26)18-15(24)13(20-12(4)22)7-5-6-8-17-11(3)21/h9-10,13H,5-8H2,1-4H3,(H,17,21)(H,18,24)(H,19,23)(H,20,22)(H,25,26)/t9-,10-,13+/m1/s1", + "name": "(Ac)2-L-Lys-D-Ala-D-Ala", + "names": [ + "(Ac)2-L-Lys-D-Ala-D-Ala", + "(Ac)2-L-lysyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C03328", + "inchi": "InChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)/t7-/m1/s1", + "name": "(R)-2-(n-Propyl)-malate", + "names": [ + "(R)-2-(n-Propyl)-malate" + ] + }, + { + "compound_id": "C03329", + "inchi": "InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1", + "name": "(S)-Canadine", + "names": [ + "(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine", + "(S)-Canadine", + "(S)-Tetrahydroberberine" + ] + }, + { + "compound_id": "C03330", + "inchi": null, + "name": "(Ubiquitin)n-calmodulin", + "names": [ + "(Ubiquitin)n-calmodulin" + ] + }, + { + "compound_id": "C03336", + "inchi": null, + "name": "17alpha-Hydroxysteroid", + "names": [ + "17alpha-Hydroxysteroid" + ] + }, + { + "compound_id": "C03338", + "inchi": "InChI=1S/C7H8O3/c1-4-2-5(8)3-6(9)7(4)10/h2-3,8-10H,1H3", + "name": "2,3,5-Trihydroxytoluene", + "names": [ + "2,3,5-Trihydroxytoluene" + ] + }, + { + "compound_id": "C03339", + "inchi": "InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)", + "name": "2,3-Bisphosphoglycerate", + "names": [ + "2,3-Bisphosphoglycerate", + "Greenwald ester" + ] + }, + { + "compound_id": "C03340", + "inchi": "InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12)/t5-/m0/s1", + "name": "L-2,3-Dihydrodipicolinate", + "names": [ + "(S)-2,3-Dihydropyridine-2,6-dicarboxylate", + "2,3-Dihydrodipicolinate", + "Dihydrodipicolinate", + "Dihydrodipicolinic acid", + "L-2,3-Dihydrodipicolinate" + ] + }, + { + "compound_id": "C03341", + "inchi": "InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m1/s1", + "name": "2-Amino-4-oxopentanoic acid", + "names": [ + "2-Amino-4-oxopentanoate", + "2-Amino-4-oxopentanoic acid" + ] + }, + { + "compound_id": "C03342", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)", + "name": "2-Dehydro-D-galactonate", + "names": [ + "2-Dehydro-D-galactonate" + ] + }, + { + "compound_id": "C03343", + "inchi": "InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)", + "name": "2-Ethylhexyl phthalate", + "names": [ + "2-Ethylhexyl phthalate" + ] + }, + { + "compound_id": "C03344", + "inchi": "InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13?,15-,18-,19-,20?,24-/m1/s1", + "name": "2-Methylacetoacetyl-CoA", + "names": [ + "2-Methyl-3-acetoacetyl-CoA", + "2-Methylacetoacetyl-CoA" + ] + }, + { + "compound_id": "C03345", + "inchi": "InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b14-5+/t15-,18-,19-,20?,24-/m1/s1", + "name": "2-Methylbut-2-enoyl-CoA", + "names": [ + "(E)-2-Methylcrotonoyl-CoA", + "2-Methylbut-2-enoyl-CoA", + "2-Methylcrotanoyl-CoA", + "Methylcrotonoyl-CoA", + "Methylcrotonyl-CoA", + "Tigloyl-CoA", + "Tiglyl-CoA", + "trans-2-Methylbut-2-enoyl-CoA" + ] + }, + { + "compound_id": "C03347", + "inchi": "InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1", + "name": "3,5-Dichloro-L-tyrosine", + "names": [ + "3,5-Dichloro-L-tyrosine" + ] + }, + { + "compound_id": "C03348", + "inchi": "InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m0/s1", + "name": "3,6-Dideoxy-L-galactose", + "names": [ + "3,6-Dideoxy-L-galactose", + "3,6-Dideoxy-L-xylo-hexose", + "Colitose" + ] + }, + { + "compound_id": "C03349", + "inchi": "InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)", + "name": "3-Aminopropanesulfonate", + "names": [ + "3-Amino-1-propanesulfonic acid", + "3-Aminopropanesulfonate" + ] + }, + { + "compound_id": "C03351", + "inchi": "InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2", + "name": "3-Hydroxybenzyl alcohol", + "names": [ + "3-Hydroxybenzenemethanol", + "3-Hydroxybenzyl alcohol" + ] + }, + { + "compound_id": "C03352", + "inchi": "InChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3", + "name": "3-Methoxybenzyl alcohol", + "names": [ + "3-Anise alcohol", + "3-Anisyl alcohol", + "3-Methoxybenzyl alcohol" + ] + }, + { + "compound_id": "C03354", + "inchi": "InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3", + "name": "3-Methylthiopropanamine", + "names": [ + "3-Methylthiopropanamine", + "3-Methylthiopropylamine" + ] + }, + { + "compound_id": "C03356", + "inchi": "InChI=1S/C4H9O8P/c5-1-2(3(6)4(7)8)12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1", + "name": "3-Phospho-D-erythronate", + "names": [ + "3-Phospho-D-erythronate" + ] + }, + { + "compound_id": "C03357", + "inchi": "InChI=1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/t16-,20-,21-,22?,26-/m1/s1", + "name": "4-Acetamidobutanoyl-CoA", + "names": [ + "4-Acetamidobutanoyl-CoA" + ] + }, + { + "compound_id": "C03359", + "inchi": "InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3", + "name": "4-Chloro-2-methylphenol", + "names": [ + "4-Chloro-2-methylphenol" + ] + }, + { + "compound_id": "C03360", + "inchi": "InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)", + "name": "4-Nitrophenyl phosphate", + "names": [ + "4-Nitrophenyl phosphate" + ] + }, + { + "compound_id": "C03361", + "inchi": null, + "name": "5'-Acylphosphoadenosine", + "names": [ + "5'-Acylphosphoadenosine" + ] + }, + { + "compound_id": "C03363", + "inchi": null, + "name": "5-L-Glutamyl amino acid", + "names": [ + "5-L-Glutamyl amino acid", + "L-gamma-Glutamyl amino acid" + ] + }, + { + "compound_id": "C03365", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5-,6+,7+", + "name": "5-O-Methyl-myo-inositol", + "names": [ + "1D-5-O-Methyl-myo-inositol", + "5-O-Methyl-myo-inositol", + "Sequoyitol" + ] + }, + { + "compound_id": "C03366", + "inchi": "InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m1/s1", + "name": "5-Phosphonooxy-L-lysine", + "names": [ + "5-Phosphonooxy-L-lysine", + "O-Phosphohydroxy-L-lysine" + ] + }, + { + "compound_id": "C03367", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)18(32-4)34-15-5(2-20)33-17(14(28)11(15)25)30-3-6-8(22)9(23)12(26)16(29)31-6/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16?,17+,18-/m1/s1", + "name": "6-alpha-Maltosylglucose", + "names": [ + "6-alpha-Maltosylglucose" + ] + }, + { + "compound_id": "C03368", + "inchi": "InChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(25)15(10(7)26)36-19-17-16(11(27)8(3-24)35-19)38-20(39-17)18(30)13(29)12(28)14(37-20)6(22)4-34-40(31,32)33/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14-,15-,16+,17+,18-,19?,20?/m1/s1", + "name": "7''-O-Phosphohygromycin", + "names": [ + "7''-O-Phosphohygromycin" + ] + }, + { + "compound_id": "C03371", + "inchi": null, + "name": "Acyl-protein thioester", + "names": [ + "Acyl-protein thioester" + ] + }, + { + "compound_id": "C03372", + "inchi": null, + "name": "Acylglycerone phosphate", + "names": [ + "1-Acyl-glycerone 3-phosphate", + "Acylglycerone phosphate", + "Dihydroxyacetone phosphate acyl ester" + ] + }, + { + "compound_id": "C03373", + "inchi": "InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1", + "name": "Aminoimidazole ribotide", + "names": [ + "1-(5'-Phosphoribosyl)-5-aminoimidazole", + "1-(5-Phospho-D-ribosyl)-5-aminoimidazole", + "5'-Phosphoribosyl-5-aminoimidazole", + "5-Amino-1-(5-phospho-D-ribosyl)imidazole", + "AIR", + "Aminoimidazole ribotide" + ] + }, + { + "compound_id": "C03374", + "inchi": "InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13-,27-14-/t32-,33-,34+,35-,39+/m0/s1", + "name": "Bilirubin-glucuronoside", + "names": [ + "Bilirubin monoglucuronide", + "Bilirubin-glucuronoside" + ] + }, + { + "compound_id": "C03375", + "inchi": "InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2", + "name": "Norspermidine", + "names": [ + "3,3'-Iminobispropylamine", + "Bis(3-aminopropyl)amine", + "Norspermidine" + ] + }, + { + "compound_id": "C03378", + "inchi": null, + "name": "Coagulation Factor VIIa", + "names": [ + "Coagulation Factor VIIa" + ] + }, + { + "compound_id": "C03383", + "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m1/s1", + "name": "D-Galactono-1,4-lactone", + "names": [ + "D-Galactono-1,4-lactone", + "gamma-D-Galactonolactone" + ] + }, + { + "compound_id": "C03384", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6?/m1/s1", + "name": "D-Galactose 1-phosphate", + "names": [ + "D-Galactose 1-phosphate" + ] + }, + { + "compound_id": "C03387", + "inchi": "InChI=1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-5,8-10H/t2-,3+,4-,5-/m0/s1", + "name": "D-Glucurono-6,2-lactone", + "names": [ + "D-Glucurono-6,2-lactone" + ] + }, + { + "compound_id": "C03391", + "inchi": null, + "name": "DNA 6-methylaminopurine", + "names": [ + "DNA 6-methylaminopurine" + ] + }, + { + "compound_id": "C03392", + "inchi": "InChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3/p+1", + "name": "Dimethylsulfonioacetate", + "names": [ + "Dimethylsulfonioacetate", + "dimethylacetothetin" + ] + }, + { + "compound_id": "C03393", + "inchi": "InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1", + "name": "4-Phospho-D-erythronate", + "names": [ + "4-Phospho-D-erythronate", + "4-Phosphoerythronate" + ] + }, + { + "compound_id": "C03394", + "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3,5-6H,1-2H2,(H2,8,9,10)/t3-/m0/s1", + "name": "Erythrulose 1-phosphate", + "names": [ + "Erythrulose 1-phosphate" + ] + }, + { + "compound_id": "C03395", + "inchi": null, + "name": "Fatty acid methyl ester", + "names": [ + "Fatty acid methyl ester" + ] + }, + { + "compound_id": "C03400", + "inchi": null, + "name": "Glycoside of aldohexose", + "names": [ + "Glycoside of aldohexose" + ] + }, + { + "compound_id": "C03401", + "inchi": "InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1", + "name": "3-Amino-L-Alanine", + "names": [ + "3-Amino-L-Alanine", + "L-2,3-Diaminopropanoate", + "L-2,3-Diaminopropanoic acid", + "L-2,3-Diaminopropionate", + "L-2,3-Diaminopropionic acid" + ] + }, + { + "compound_id": "C03402", + "inchi": null, + "name": "L-Asparaginyl-tRNA(Asn)", + "names": [ + "Asn-tRNA(Asn)", + "Asparaginyl-tRNA(Asn)", + "L-Asparaginyl-tRNA(Asn)" + ] + }, + { + "compound_id": "C03404", + "inchi": "InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1", + "name": "L-Tyrosine methyl ester", + "names": [ + "L-Tyrosine methyl ester" + ] + }, + { + "compound_id": "C03405", + "inchi": null, + "name": "Lactosylceramide sulfate", + "names": [ + "Lactosylceramide sulfate" + ] + }, + { + "compound_id": "C03406", + "inchi": "InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1", + "name": "N-(L-Arginino)succinate", + "names": [ + "2-(Nomega-L-Arginino)succinate", + "L-Argininosuccinate", + "L-Argininosuccinic acid", + "L-Arginosuccinic acid", + "L-arginosuccinate", + "N-(L-Arginino)succinate", + "l-arginosuccinate", + "n-(l-argino)succinate" + ] + }, + { + "compound_id": "C03408", + "inchi": "InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8-/m1/s1", + "name": "N-Acetylgalactosaminate", + "names": [ + "N-Acetylgalactosaminate" + ] + }, + { + "compound_id": "C03409", + "inchi": "InChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1", + "name": "N-Formimino-L-aspartate", + "names": [ + "N-Formimidoyl-L-aspartate", + "N-Formimino-L-aspartate" + ] + }, + { + "compound_id": "C03410", + "inchi": "InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5?,7+,8-,9+,11?/m0/s1", + "name": "N-Glycoloyl-neuraminate", + "names": [ + "N-Glycoloyl-neuraminate", + "N-Glycolylneuraminate", + "NeuNGc" + ] + }, + { + "compound_id": "C03411", + "inchi": "InChI=1S/C10H18N2O8/c11-3(10(18)19)1-5(14)12-9-8(17)7(16)6(15)4(2-13)20-9/h3-4,6-9,13,15-17H,1-2,11H2,(H,12,14)(H,18,19)/t3-,4+,6+,7-,8+,9+/m0/s1", + "name": "N-Glycosyl-L-asparagine", + "names": [ + "N-Glycosyl-L-asparagine" + ] + }, + { + "compound_id": "C03412", + "inchi": null, + "name": "N-Palmitoylglycoprotein", + "names": [ + "N-Palmitoylglycoprotein" + ] + }, + { + "compound_id": "C03413", + "inchi": "InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)", + "name": "N1,N12-Diacetylspermine", + "names": [ + "N1,N12-Diacetylspermine" + ] + }, + { + "compound_id": "C03414", + "inchi": "InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m1/s1", + "name": "N2-Malonyl-D-tryptophan", + "names": [ + "N2-Malonyl-D-tryptophan" + ] + }, + { + "compound_id": "C03415", + "inchi": "InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1", + "name": "N2-Succinyl-L-ornithine", + "names": [ + "(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid", + "N2-Succinyl-L-ornithine" + ] + }, + { + "compound_id": "C03416", + "inchi": "InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1", + "name": "N6,N6-Dimethyladenosine", + "names": [ + "N6,N6-Dimethyladenosine" + ] + }, + { + "compound_id": "C03417", + "inchi": "InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1", + "name": "Ngamma-Nitro-L-arginine", + "names": [ + "Ngamma-Nitro-L-arginine" + ] + }, + { + "compound_id": "C03418", + "inchi": null, + "name": "Nucleoside 2'-phosphate", + "names": [ + "Nucleoside 2'-phosphate" + ] + }, + { + "compound_id": "C03419", + "inchi": null, + "name": "Nucleoside 3'-phosphate", + "names": [ + "Nucleoside 3'-phosphate" + ] + }, + { + "compound_id": "C03422", + "inchi": null, + "name": "O-Palmitoylglycoprotein", + "names": [ + "O-Palmitoylglycoprotein" + ] + }, + { + "compound_id": "C03423", + "inchi": "InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16-/m1/s1", + "name": "O-beta-D-Glucosylzeatin", + "names": [ + "O-beta-D-Glucosyl-trans-zeatin", + "O-beta-D-Glucosylzeatin", + "trans-Zeatin-O-glucoside" + ] + }, + { + "compound_id": "C03425", + "inchi": "InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-", + "name": "Oleic acid methyl ester", + "names": [ + "Methyl oleate", + "Oleic acid methyl ester" + ] + }, + { + "compound_id": "C03427", + "inchi": "InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1", + "name": "Prephytoene diphosphate", + "names": [ + "Prephytoene diphosphate" + ] + }, + { + "compound_id": "C03428", + "inchi": "InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m1/s1", + "name": "Presqualene diphosphate", + "names": [ + "Presqualene diphosphate" + ] + }, + { + "compound_id": "C03429", + "inchi": null, + "name": "Protein 5-hydroxylysine", + "names": [ + "Protein 5-hydroxylysine" + ] + }, + { + "compound_id": "C03431", + "inchi": "InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1", + "name": "S-Inosyl-L-homocysteine", + "names": [ + "S-Inosyl-L-homocysteine" + ] + }, + { + "compound_id": "C03433", + "inchi": "InChI=1S/C6H15N2O7P/c7-1-3(9)2(8)6(5(11)4(1)10)15-16(12,13)14/h1-6,9-11H,7-8H2,(H2,12,13,14)/t1-,2+,3-,4+,5-,6-/m1/s1", + "name": "Streptamine 4-phosphate", + "names": [ + "Streptamine 4-phosphate" + ] + }, + { + "compound_id": "C03434", + "inchi": "InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H", + "name": "Tetrachlorohydroquinone", + "names": [ + "2,3,5,6-Tetrachlorohydroquinone", + "Tetrachlorohydroquinone" + ] + }, + { + "compound_id": "C03437", + "inchi": null, + "name": "beta-D-Fructofuranoside", + "names": [ + "beta-D-Fructofuranoside" + ] + }, + { + "compound_id": "C03438", + "inchi": null, + "name": "beta-Lactam antibiotics", + "names": [ + "beta-Lactam antibiotics" + ] + }, + { + "compound_id": "C03440", + "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1", + "name": "cis-4-Hydroxy-D-proline", + "names": [ + "cis-4-Hydroxy-D-proline" + ] + }, + { + "compound_id": "C03442", + "inchi": "InChI=1S/C16H26N2O15P2/c1-7-4-18(15(23)17-13(7)22)11-3-9(20)10(31-11)5-29-34(25,26)33-35(27,28)32-14-12(21)16(24,6-19)8(2)30-14/h4,8-12,14,19-21,24H,3,5-6H2,1-2H3,(H,25,26)(H,27,28)(H,17,22,23)/t8-,9-,10+,11+,12-,14+,16+/m0/s1", + "name": "dTDP-L-dihydrostreptose", + "names": [ + "dTDP-L-dihydrostreptose" + ] + }, + { + "compound_id": "C03444", + "inchi": "InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1", + "name": "p-Chloromercuribenzoate", + "names": [ + "p-Chloromercuribenzoate", + "p-Chloromercuribenzoic acid" + ] + }, + { + "compound_id": "C03446", + "inchi": null, + "name": "tRNA containing ribothymidine at position 54", + "names": [ + "tRNA TpsiC", + "tRNA containing ribothymidine at position 54" + ] + }, + { + "compound_id": "C03448", + "inchi": "InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3", + "name": "(+)-exo-5-Hydroxycamphor", + "names": [ + "(+)-5-exo-hydroxycamphor", + "(+)-exo-5-Hydroxycamphor" + ] + }, + { + "compound_id": "C03450", + "inchi": "InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)", + "name": "(3-Arylcarbonyl)-alanine", + "names": [ + "(3-Arylcarbonyl)-alanine" + ] + }, + { + "compound_id": "C03451", + "inchi": "InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1", + "name": "(R)-S-Lactoylglutathione", + "names": [ + "(R)-S-Lactoylglutathione", + "S-D-Lactoylglutathione" + ] + }, + { + "compound_id": "C03453", + "inchi": "InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)/b3-1-", + "name": "gamma-Oxalocrotonate", + "names": [ + "(Z)-5-Oxohex-2-enedioate", + "4-Oxalocrotonate", + "gamma-Oxalocrotonate" + ] + }, + { + "compound_id": "C03454", + "inchi": null, + "name": "1-Alkenyl-2-acylglycerol", + "names": [ + "1-Alkenyl-2-acylglycerol" + ] + }, + { + "compound_id": "C03455", + "inchi": "InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28+", + "name": "11-cis-Retinyl palmitate", + "names": [ + "11-cis-Retinyl palmitate" + ] + }, + { + "compound_id": "C03456", + "inchi": null, + "name": "2''-Nucleotidylkanamycin", + "names": [ + "2''-Nucleotidylkanamycin" + ] + }, + { + "compound_id": "C03457", + "inchi": null, + "name": "2''-Nucleotidylsisomicin", + "names": [ + "2''-Nucleotidylsisomicin" + ] + }, + { + "compound_id": "C03458", + "inchi": "InChI=1S/C5H5NO3/c7-3-1-2-4(8)6-5(3)9/h1-2,7H,(H2,6,8,9)", + "name": "2,3,6-Trihydroxypyridine", + "names": [ + "2,3,6-Trihydroxypyridine" + ] + }, + { + "compound_id": "C03459", + "inchi": "InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)", + "name": "2-Hydroxy-3-oxosuccinate", + "names": [ + "2-Hydroxy-3-oxosuccinate", + "2-oxo-3-hydroxybutanedioic acid", + "2-oxo-3-hydroxysuccinate", + "Oxaloglycolate" + ] + }, + { + "compound_id": "C03460", + "inchi": "InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1", + "name": "2-Methylprop-2-enoyl-CoA", + "names": [ + "2-Methylprop-2-enoyl-CoA", + "Methacrylyl-CoA", + "Methylacrylyl-CoA" + ] + }, + { + "compound_id": "C03461", + "inchi": "InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+", + "name": "2-trans,6-trans-Farnesal", + "names": [ + "(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal", + "(2E,6E)-Farnesal", + "2-trans,6-trans-Farnesal", + "Farnesal", + "trans,trans-Farnesal" + ] + }, + { + "compound_id": "C03462", + "inchi": "InChI=1S/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-40-14-24(32)38-6-39-25(14)43/h5-13,15-23,26-28,37,44,46-52H,3-4H2,1-2H3,(H,53,54)(H2,32,38,39)(H4,33,34,41)(H4,35,36,42)/t8-,9-,10+,11+,12-,13-,15+,16-,17+,18-,19+,20+,21?,22-,23?,26+,27?,28?,31+/m0/s1", + "name": "3''-Adenylylstreptomycin", + "names": [ + "3''-Adenylylstreptomycin" + ] + }, + { + "compound_id": "C03463", + "inchi": null, + "name": "3'-Phosphopolynucleotide", + "names": [ + "3'-Phosphopolynucleotide" + ] + }, + { + "compound_id": "C03465", + "inchi": "InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)", + "name": "3-Methyl-2-oxopentanoate", + "names": [ + "2-Oxo-3-methylvalerate", + "3-Methyl-2-oxopentanoate" + ] + }, + { + "compound_id": "C03466", + "inchi": "InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,36-37H,1,5-11H2,2-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21?,25-/m1/s1", + "name": "3-Methyl-vinylacetyl-CoA", + "names": [ + "3-Methyl-vinylacetyl-CoA" + ] + }, + { + "compound_id": "C03467", + "inchi": "InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)", + "name": "beta-Ketoisocaproate", + "names": [ + "3-Oxo-4-methylpentanoate", + "3-Oxo-4-methylpentanoic acid", + "beta-Ketoisocaproate", + "beta-Ketoisocaproic acid" + ] + }, + { + "compound_id": "C03470", + "inchi": "InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1", + "name": "3-alpha(S)-Strictosidine", + "names": [ + "3-alpha(S)-Strictosidine", + "Strictosidine" + ] + }, + { + "compound_id": "C03473", + "inchi": "InChI=1S/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3", + "name": "1-(p-Hydroxyphenyl)ethylamine", + "names": [ + "1-(p-Hydroxyphenyl)ethylamine" + ] + }, + { + "compound_id": "C03474", + "inchi": "InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H", + "name": "4-Nitroquinoline N-oxide", + "names": [ + "4-Nitroquinoline 1-oxide", + "4-Nitroquinoline N-oxide", + "Nitrochin" + ] + }, + { + "compound_id": "C03475", + "inchi": null, + "name": "5'-Phosphopolynucleotide", + "names": [ + "5'-Phosphopolynucleotide" + ] + }, + { + "compound_id": "C03476", + "inchi": "InChI=1S/C20H15N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8,23,26H,4,21H2,(H,22,25)(H,27,28)(H,29,30)", + "name": "5,12-Dihydroxanthommatin", + "names": [ + "5,12-Dihydroxanthommatin" + ] + }, + { + "compound_id": "C03479", + "inchi": "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)", + "name": "Folinic acid", + "names": [ + "5-Formyltetrahydrofolate", + "Folinic acid", + "L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid", + "Leucovorin" + ] + }, + { + "compound_id": "C03483", + "inchi": "InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine tetraphosphate", + "names": [ + "Adenosine 5'-tetraphosphate", + "Adenosine tetraphosphate" + ] + }, + { + "compound_id": "C03485", + "inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2", + "name": "Aromatic primary alcohol", + "names": [ + "Aromatic alcohol", + "Aromatic primary alcohol" + ] + }, + { + "compound_id": "C03486", + "inchi": "InChI=1S/C12H22N4O11P2/c1-14-3-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)16-4-2-8(13)15-12(16)19/h2,4,7,9-11,14,17-18H,3,5-6H2,1H3,(H,20,21)(H,22,23)(H2,13,15,19)/t7-,9-,10-,11-/m1/s1", + "name": "CDP-N-methylethanolamine", + "names": [ + "CDP-N-methylethanolamine" + ] + }, + { + "compound_id": "C03491", + "inchi": null, + "name": "Cyclic alcohol", + "names": [ + "Cyclic alcohol" + ] + }, + { + "compound_id": "C03492", + "inchi": "InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1", + "name": "D-4'-Phosphopantothenate", + "names": [ + "(R)-4'-Phosphopantothenate", + "D-4'-Phosphopantothenate" + ] + }, + { + "compound_id": "C03493", + "inchi": "InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1", + "name": "D-4-Hydroxyphenylglycine", + "names": [ + "(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid", + "D-4-Hydroxyphenylglycine", + "d-(4-hydroxyphenyl)glycine" + ] + }, + { + "compound_id": "C03494", + "inchi": "InChI=1S/C4H11O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1", + "name": "D-Erythritol 4-phosphate", + "names": [ + "D-Erythritol 4-phosphate", + "L-Erythritol 1-phosphate" + ] + }, + { + "compound_id": "C03495", + "inchi": "InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", + "name": "Deoxy-5-methylcytidylate", + "names": [ + "5-Methyldeoxycytidine 5'-phosphate", + "Deoxy-5-methylcytidylate" + ] + }, + { + "compound_id": "C03497", + "inchi": null, + "name": "Ester of phosphinic acid", + "names": [ + "Ester of phosphinic acid" + ] + }, + { + "compound_id": "C03498", + "inchi": null, + "name": "Ester of phosphonic acid", + "names": [ + "Ester of phosphonic acid" + ] + }, + { + "compound_id": "C03499", + "inchi": "InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1", + "name": "Ethyl (R)-3-hydroxybutanoate", + "names": [ + "Ethyl (R)-3-hydroxybutanoate" + ] + }, + { + "compound_id": "C03500", + "inchi": "InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3", + "name": "Ethyl 3-oxobutanoate", + "names": [ + "Ethyl 3-oxobutanoate", + "Ethyl acetoacetate" + ] + }, + { + "compound_id": "C03502", + "inchi": "InChI=1S/C21H20O8/c22-10-14-16(24)17(25)18(26)21(28-14)29-20-15(23)12-8-4-5-9-13(12)27-19(20)11-6-2-1-3-7-11/h1-9,14,16-18,21-22,24-26H,10H2/t14-,16+,17+,18-,21+/m1/s1", + "name": "Flavonol 3-O-D-galactoside", + "names": [ + "Flavonol 3-O-D-galactoside" + ] + }, + { + "compound_id": "C03503", + "inchi": "InChI=1S/C20H18O8/c21-8-13-17(24)18(25)19(26)20(28-13)27-12-7-3-6-11-14(12)16(23)10-5-2-1-4-9(10)15(11)22/h1-7,13,17-21,24-26H,8H2/t13-,17-,18+,19-,20-/m1/s1", + "name": "Glucosyloxyanthraquinone", + "names": [ + "Glucosyloxyanthraquinone" + ] + }, + { + "compound_id": "C03505", + "inchi": "InChI=1S/C3H7O5P/c1-3(4)2-8-9(5,6)7/h2H2,1H3,(H2,5,6,7)", + "name": "Hydroxyacetone phosphate", + "names": [ + "Acetol phosphate", + "Hydroxyacetone phosphate" + ] + }, + { + "compound_id": "C03506", + "inchi": "InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1", + "name": "Indoleglycerol phosphate", + "names": [ + "(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate", + "(3-Indolyl)-glycerol phosphate", + "1-(indol-3-yl)glycerol 3-phosphate", + "1-C-(Indol-3-yl)glycerol 3-phosphate", + "C1-(3-Indolyl)-glycerol 3-phosphate", + "Indole-3-glycerol phosphate", + "Indoleglycerol phosphate" + ] + }, + { + "compound_id": "C03508", + "inchi": "InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1", + "name": "L-2-Amino-3-oxobutanoic acid", + "names": [ + "(S)-2-Amino-3-oxobutanoic acid", + "L-2-Amino-3-oxobutanoate", + "L-2-Amino-3-oxobutanoic acid", + "L-2-Amino-acetoacetate" + ] + }, + { + "compound_id": "C03509", + "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m0/s1", + "name": "L-Arabinitol 5-phosphate", + "names": [ + "L-Arabinitol 5-phosphate" + ] + }, + { + "compound_id": "C03510", + "inchi": "InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1", + "name": "L-Methionine sulfoximine", + "names": [ + "(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid", + "L-Methionine sulfoximine" + ] + }, + { + "compound_id": "C03511", + "inchi": null, + "name": "L-Phenylalanyl-tRNA(Phe)", + "names": [ + "L-Phenylalanyl-tRNA(Phe)", + "l-phenylalanyl-trna-phe" + ] + }, + { + "compound_id": "C03512", + "inchi": null, + "name": "L-Tryptophanyl-tRNA(Trp)", + "names": [ + "L-Tryptophanyl-tRNA(Trp)" + ] + }, + { + "compound_id": "C03514", + "inchi": "InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", + "name": "Limonin", + "names": [ + "Evodin", + "Limonin" + ] + }, + { + "compound_id": "C03515", + "inchi": "InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1", + "name": "Luteolin 7-O-glucuronide", + "names": [ + "Luteolin 7-O-beta-D-glucuronide", + "Luteolin 7-O-glucuronide" + ] + }, + { + "compound_id": "C03516", + "inchi": "InChI=1S/C34H34N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;", + "name": "Magnesium protoporphyrin", + "names": [ + "Magnesium protoporphyrin", + "Magnesium protoporphyrin IX", + "Mg-protoporphyrin IX" + ] + }, + { + "compound_id": "C03517", + "inchi": null, + "name": "Monoterpenyl diphosphate", + "names": [ + "Monoterpenyl diphosphate" + ] + }, + { + "compound_id": "C03518", + "inchi": null, + "name": "N-Acetyl-D-glucosaminide", + "names": [ + "N-Acetyl-D-glucosaminide" + ] + }, + { + "compound_id": "C03519", + "inchi": "InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1", + "name": "N-Acetyl-L-phenylalanine", + "names": [ + "N-Acetyl-L-phenylalanine" + ] + }, + { + "compound_id": "C03521", + "inchi": "InChI=1S/C8H15NO7/c10-1-3-6(13)7(14)5(8(15)16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5+,6-,7-,8+/m1/s1", + "name": "Glycolyl-D-mannosamine", + "names": [ + "Glycolyl-D-mannosamine", + "N-Glycolyl-D-mannosamine" + ] + }, + { + "compound_id": "C03522", + "inchi": "InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)", + "name": "N-Methyl-4-aminobenzoate", + "names": [ + "N-Methyl-4-aminobenzoate" + ] + }, + { + "compound_id": "C03523", + "inchi": null, + "name": "N-Substituted amino acid", + "names": [ + "N-Substituted amino acid" + ] + }, + { + "compound_id": "C03524", + "inchi": "InChI=1S/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1", + "name": "N2'-Acetylgentamicin C1a", + "names": [ + "N2'-Acetylgentamicin C1a" + ] + }, + { + "compound_id": "C03525", + "inchi": "InChI=1S/C11H19NO9/c1-4(13)20-3-6(15)8(16)9-7(12)5(14)2-11(19,21-9)10(17)18/h5-9,14-16,19H,2-3,12H2,1H3,(H,17,18)/t5-,6?,7+,8-,9+,11?/m0/s1", + "name": "O-Acetylneuraminic acid", + "names": [ + "O-Acetylated sialic acid", + "O-Acetylneuraminic acid" + ] + }, + { + "compound_id": "C03526", + "inchi": null, + "name": "O-Sinapoylglucarolactone", + "names": [ + "O-Sinapoylglucarolactone" + ] + }, + { + "compound_id": "C03527", + "inchi": "InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3", + "name": "Oxidized Latia luciferin", + "names": [ + "Oxidized Latia luciferin" + ] + }, + { + "compound_id": "C03529", + "inchi": null, + "name": "Peptide formylkynurenine", + "names": [ + "Peptide formylkynurenine" + ] + }, + { + "compound_id": "C03530", + "inchi": null, + "name": "Peptidyl-L-lysyl-peptide", + "names": [ + "Peptidyl-L-lysyl-peptide" + ] + }, + { + "compound_id": "C03531", + "inchi": null, + "name": "Peptidyl-allysyl-peptide", + "names": [ + "Peptidyl-allysyl-peptide" + ] + }, + { + "compound_id": "C03535", + "inchi": null, + "name": "Polysulfate of cellulose", + "names": [ + "Polysulfate of cellulose" + ] + }, + { + "compound_id": "C03536", + "inchi": "InChI=1S/C9H13N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1-3,5-9,12-13H,4H2,(H-,14,15,16)/p+1/t6-,7-,8-,9-/m1/s1", + "name": "Pyrimidine 5'-nucleotide", + "names": [ + "Pyrimidine 5'-nucleotide" + ] + }, + { + "compound_id": "C03537", + "inchi": "InChI=1S/C4H9NOS/c1-4(6)7-3-2-5/h2-3,5H2,1H3", + "name": "S-Acetylthioethanolamine", + "names": [ + "S-Acetylthioethanolamine" + ] + }, + { + "compound_id": "C03539", + "inchi": "InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1", + "name": "S-Ribosyl-L-homocysteine", + "names": [ + "Ribose-5-S-homocysteine", + "S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine", + "S-D-Ribosyl-L-homocysteine", + "S-Ribosyl-L-homocysteine", + "S-Ribosylhomocysteine" + ] + }, + { + "compound_id": "C03541", + "inchi": "", + "name": "THF-polyglutamate", + "names": [ + "THF-polyglutamate" + ] + }, + { + "compound_id": "C03543", + "inchi": "InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)", + "name": "undecaprenyl diphosphate", + "names": [ + "undecaprenyl diphosphate" + ] + }, + { + "compound_id": "C03544", + "inchi": null, + "name": "[Xanthine dehydrogenase]", + "names": [ + "[Xanthine : NAD oxidoreductase]", + "[Xanthine dehydrogenase]" + ] + }, + { + "compound_id": "C03546", + "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1", + "name": "myo-Inositol 4-phosphate", + "names": [ + "1D-myo-Inositol 4-monophosphate", + "1D-myo-Inositol 4-phosphate", + "D-myo-Inositol 4-phosphate", + "Inositol 4-phosphate", + "myo-Inositol 4-phosphate" + ] + }, + { + "compound_id": "C03547", + "inchi": "InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)", + "name": "omega-Hydroxy fatty acid", + "names": [ + "omega-Hydroxy fatty acid" + ] + }, + { + "compound_id": "C03548", + "inchi": "InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1", + "name": "trans-2,3-Epoxysuccinate", + "names": [ + "trans-2,3-Epoxysuccinate" + ] + }, + { + "compound_id": "C03557", + "inchi": "InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)", + "name": "2-Aminoethylphosphonate", + "names": [ + "(2-Aminoethyl)phosphonate", + "2-Aminoethylphosphonate", + "Ciliatine" + ] + }, + { + "compound_id": "C03561", + "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14-,18-,19-,20?,24-/m1/s1", + "name": "(R)-3-Hydroxybutanoyl-CoA", + "names": [ + "(3R)-3-Hydroxybutanoyl-CoA", + "(R)-3-Hydroxybutanoyl-CoA" + ] + }, + { + "compound_id": "C03564", + "inchi": "InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)", + "name": "1-Pyrroline-2-carboxylate", + "names": [ + "1-Pyrroline-2-carboxylate", + "1-Pyrroline-2-carboxylic acid", + "d-1-pyrroline-2-carboxylate", + "delta1-Pyrroline 2-carboxylate" + ] + }, + { + "compound_id": "C03565", + "inchi": null, + "name": "2''-Nucleotidylgentamicin", + "names": [ + "2''-Nucleotidylgentamicin" + ] + }, + { + "compound_id": "C03566", + "inchi": null, + "name": "2''-Nucleotidyltobramycin", + "names": [ + "2''-Nucleotidyltobramycin" + ] + }, + { + "compound_id": "C03567", + "inchi": "InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2", + "name": "2'-Hydroxydihydrodaidzein", + "names": [ + "2'-Hydroxy-2,3-dihydrodaidzein", + "2'-Hydroxydihydrodaidzein" + ] + }, + { + "compound_id": "C03568", + "inchi": "InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1", + "name": "2'-Phosphoadenylylsulfate", + "names": [ + "2'-Phosphoadenylylsulfate" + ] + }, + { + "compound_id": "C03569", + "inchi": "InChI=1S/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H", + "name": "2,2',3-Trihydroxybiphenyl", + "names": [ + "2,2',3-Trihydroxybiphenyl" + ] + }, + { + "compound_id": "C03570", + "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6?/m1/s1", + "name": "D-Mannosamine", + "names": [ + "2-Amino-2-deoxy-D-mannose", + "D-Mannosamine" + ] + }, + { + "compound_id": "C03571", + "inchi": "InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)", + "name": "2-Amino-2-methylbutanoate", + "names": [ + "2-Amino-2-methylbutanoate" + ] + }, + { + "compound_id": "C03572", + "inchi": "InChI=1S/C6H5ClO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1-,4-2+", + "name": "2-Chloro-cis,cis-muconate", + "names": [ + "2-Chloro-cis,cis-muconate" + ] + }, + { + "compound_id": "C03573", + "inchi": null, + "name": "2-Deoxy-alpha-D-glucoside", + "names": [ + "2-Deoxy-alpha-D-glucoside" + ] + }, + { + "compound_id": "C03574", + "inchi": "InChI=1S/C8H7NO2/c10-5-7-3-1-2-4-8(7)9-6-11/h1-6H,(H,9,11)", + "name": "2-Formylaminobenzaldehyde", + "names": [ + "2-Formylaminobenzaldehyde" + ] + }, + { + "compound_id": "C03575", + "inchi": "InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3", + "name": "2-Iodophenol methyl ether", + "names": [ + "2-Iodophenol methyl ether" + ] + }, + { + "compound_id": "C03576", + "inchi": "InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)", + "name": "2-Mercaptoethanesulfonate", + "names": [ + "2-Mercaptoethanesulfonate", + "CoM", + "HS-CoM", + "Reduced coenzyme M" + ] + }, + { + "compound_id": "C03577", + "inchi": "InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1", + "name": "20-Hydroxyleukotriene E4", + "names": [ + "20-Hydroxyleukotriene E4", + "20-OH-LTE4", + "20-OH-Leukotriene E4" + ] + }, + { + "compound_id": "C03578", + "inchi": null, + "name": "23,24-Dihydrocucurbitacin", + "names": [ + "23,24-Dihydrocucurbitacin" + ] + }, + { + "compound_id": "C03579", + "inchi": "InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1", + "name": "Gibberellin A8", + "names": [ + "2beta-Hydroxygibberellin 1", + "Gibberellin A8" + ] + }, + { + "compound_id": "C03580", + "inchi": "InChI=1S/C24H36N7O13P/c1-8-4-10(32)24(36)23(40-8)42-19-17(43-24)11(26-2)15(34)12(27-3)18(19)44-45(37,38)39-5-9-14(33)16(35)22(41-9)31-7-30-13-20(25)28-6-29-21(13)31/h6-9,11-12,14-19,22-23,26-27,33-36H,4-5H2,1-3H3,(H,37,38)(H2,25,28,29)/t8-,9-,11+,12-,14-,15-,16-,17-,18+,19+,22-,23?,24+/m1/s1", + "name": "3''-Adenylylspectinomycin", + "names": [ + "3''-Adenylylspectinomycin" + ] + }, + { + "compound_id": "C03582", + "inchi": "InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+", + "name": "3,4',5-Trihydroxystilbene", + "names": [ + "3,4',5-Trihydroxystilbene", + "Resveratrol" + ] + }, + { + "compound_id": "C03584", + "inchi": "InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1", + "name": "3-(Uracil-1-yl)-L-alanine", + "names": [ + "3-(Uracil-1-yl)-L-alanine", + "Willardiine" + ] + }, + { + "compound_id": "C03585", + "inchi": "InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+", + "name": "3-Chloro-cis,cis-muconate", + "names": [ + "3-Chloro-cis,cis-muconate" + ] + }, + { + "compound_id": "C03586", + "inchi": "InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8)", + "name": "2-Oxo-2,3-dihydrofuran-5-acetate", + "names": [ + "2-Oxo-2,3-dihydrofuran-5-acetate", + "3-Oxoadipate enol-lactone", + "4,5-Dihydro-5-oxofuran-2-acetate", + "5-Oxo-4,5-dihydrofuran-2-acetate" + ] + }, + { + "compound_id": "C03587", + "inchi": null, + "name": "3beta-Hydroxysterol ester", + "names": [ + "3beta-Hydroxysterol ester" + ] + }, + { + "compound_id": "C03588", + "inchi": "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/m0/s1", + "name": "4,5alpha-Dihydrocortisone", + "names": [ + "4,5alpha-Dihydrocortisone" + ] + }, + { + "compound_id": "C03589", + "inchi": "InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)", + "name": "4-Hydroxy-2-oxopentanoate", + "names": [ + "4-Hydroxy-2-oxopentanoate", + "4-Hydroxy-2-oxovalerate" + ] + }, + { + "compound_id": "C03590", + "inchi": "InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)", + "name": "4-Hydroxyphenylglyoxylate", + "names": [ + "4-Hydroxybenzoylformate", + "4-Hydroxyphenylglyoxylate", + "4-Hydroxyphenylglyoxylic acid" + ] + }, + { + "compound_id": "C03591", + "inchi": "InChI=1S/C7H7ClO2/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9-10H,1H3", + "name": "5-Chloro-3-methylcatechol", + "names": [ + "5-Chloro-3-methylcatechol" + ] + }, + { + "compound_id": "C03592", + "inchi": "InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1", + "name": "5-Methyl-2'-deoxycytidine", + "names": [ + "5-Methyl-2'-deoxycytidine" + ] + }, + { + "compound_id": "C03594", + "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "7alpha-Hydroxycholesterol", + "names": [ + "7alpha-Hydroxycholesterol", + "Cholest-5-ene-3beta,7alpha-diol" + ] + }, + { + "compound_id": "C03595", + "inchi": "InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t30-,34-,35-,36?,40-/m1/s1", + "name": "8,11,14-Eicosatrienoyl-CoA", + "names": [ + "(8Z,11Z,14Z)-Icosatrienoyl-CoA", + "8,11,14-Eicosatrienoyl-CoA", + "8,11,14-Icosatrienoyl-CoA" + ] + }, + { + "compound_id": "C03597", + "inchi": null, + "name": "Actinomycinic monolactone", + "names": [ + "Actinomycinic monolactone" + ] + }, + { + "compound_id": "C03598", + "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8-,9-,11-,12-,13-,14-/m1/s1", + "name": "CDP-3,6-dideoxy-D-glucose", + "names": [ + "CDP-3,6-dideoxy-D-glucose", + "CDPparatose" + ] + }, + { + "compound_id": "C03599", + "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9-,11-,12-,13-,14-/m1/s1", + "name": "CDP-3,6-dideoxy-D-mannose", + "names": [ + "CDP-3,6-dideoxy-D-mannose", + "CDPtyvelose" + ] + }, + { + "compound_id": "C03600", + "inchi": "InChI=1S/C6H8O7/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)", + "name": "Carboxymethyloxysuccinate", + "names": [ + "(Carboxymethoxy) succinic acid", + "Carboxymethyloxysuccinate" + ] + }, + { + "compound_id": "C03601", + "inchi": "InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1", + "name": "Chloramphenicol 3-acetate", + "names": [ + "Chloramphenicol 3-acetate" + ] + }, + { + "compound_id": "C03604", + "inchi": "InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h4-5,7H,1-2H2,(H2,8,9,10)/t4-/m1/s1", + "name": "D-Erythrulose 4-phosphate", + "names": [ + "D-Erythrulose 4-phosphate" + ] + }, + { + "compound_id": "C03606", + "inchi": "InChI=1S/C6H13O9P/c7-3-1-14-5(9)6(10,4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5?,6-/m1/s1", + "name": "D-Hamamelose 2(1)-phosphate", + "names": [ + "D-Hamamelose 2(1)-phosphate" + ] + }, + { + "compound_id": "C03607", + "inchi": null, + "name": "Deoxynucleoside phosphate", + "names": [ + "Deoxynucleoside phosphate" + ] + }, + { + "compound_id": "C03611", + "inchi": null, + "name": "Galactose oligosaccharide", + "names": [ + "Galactose oligosaccharide" + ] + }, + { + "compound_id": "C03614", + "inchi": "InChI=1S/C10H16N4O17P4/c15-6-4(28-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "Inosine 5'-tetraphosphate", + "names": [ + "Inosine 5'-tetraphosphate" + ] + }, + { + "compound_id": "C03617", + "inchi": null, + "name": "L-Methionylaminoacyl-tRNA", + "names": [ + "L-Methionylaminoacyl-tRNA" + ] + }, + { + "compound_id": "C03618", + "inchi": "InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1", + "name": "L-threo-3-Methylaspartate", + "names": [ + "L-threo-3-Methylaspartate" + ] + }, + { + "compound_id": "C03619", + "inchi": "InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1", + "name": "Methyl beta-D-galactoside", + "names": [ + "Methyl beta-D-galactopyranoside", + "Methyl beta-D-galactoside" + ] + }, + { + "compound_id": "C03620", + "inchi": null, + "name": "Monocarboxylic acid amide", + "names": [ + "Monocarboxylic acid amide" + ] + }, + { + "compound_id": "C03621", + "inchi": "InChI=1S/C14H13NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3", + "name": "N-Acetoxy-4-aminobiphenyl", + "names": [ + "N-Acetoxy-4-aminobiphenyl" + ] + }, + { + "compound_id": "C03622", + "inchi": "InChI=1S/C12H11NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H", + "name": "N-Hydroxy-4-aminobiphenyl", + "names": [ + "N-Hydroxy-4-aminobiphenyl" + ] + }, + { + "compound_id": "C03623", + "inchi": "InChI=1S/C6H9NO4/c1-7-5(9)3-2-4(8)6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)", + "name": "N-Methyl-2-oxoglutaramate", + "names": [ + "N-Methyl-2-oxoglutaramate" + ] + }, + { + "compound_id": "C03624", + "inchi": "InChI=1S/C3H10N3O5PS/c4-3(6-12(7,8)9)5-1-2-13(10)11/h1-2H2,(H,10,11)(H5,4,5,6,7,8,9)", + "name": "N-Phosphohypotaurocyamine", + "names": [ + "N(omega)-Phosphohypotaurocyamine", + "N-Phosphohypotaurocyamine" + ] + }, + { + "compound_id": "C03625", + "inchi": null, + "name": "N5-Acyl-L-ornithine ester", + "names": [ + "N5-Acyl-L-ornithine ester" + ] + }, + { + "compound_id": "C03626", + "inchi": "InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1", + "name": "NG,NG-Dimethyl-L-arginine", + "names": [ + "ADMA", + "N,N-Dimethylarginine", + "NG,NG-Dimethyl-L-arginine", + "Nomega,Nomega'-Dimethyl-L-arginine" + ] + }, + { + "compound_id": "C03629", + "inchi": "InChI=1S/H4NO4P/c1-5-6(2,3)4/h1H2,(H2,2,3,4)", + "name": "O-Phosphorylhydroxylamine", + "names": [ + "O-Phosphonohydroxylamine", + "O-Phosphorylhydroxylamine" + ] + }, + { + "compound_id": "C03630", + "inchi": "InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-", + "name": "Oleoylglycerone phosphate", + "names": [ + "Oleoylglycerone phosphate" + ] + }, + { + "compound_id": "C03631", + "inchi": null, + "name": "Oleoylphosphatidylcholine", + "names": [ + "Oleoylphosphatidylcholine" + ] + }, + { + "compound_id": "C03632", + "inchi": null, + "name": "Oligosaccharide phosphate", + "names": [ + "Oligosaccharide phosphate" + ] + }, + { + "compound_id": "C03633", + "inchi": null, + "name": "Peptidylproline (omega=0)", + "names": [ + "Peptidylproline (omega=0)" + ] + }, + { + "compound_id": "C03634", + "inchi": "InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1", + "name": "Phorbol 12,13-dibutanoate", + "names": [ + "Phorbol 12,13-dibutanoate", + "Phorbol-12,13-dibutyrate" + ] + }, + { + "compound_id": "C03635", + "inchi": null, + "name": "Protein N-ubiquityllysine", + "names": [ + "Protein N-ubiquityllysine" + ] + }, + { + "compound_id": "C03636", + "inchi": null, + "name": "Protein N5-alkylglutamine", + "names": [ + "Protein N5-alkylglutamine" + ] + }, + { + "compound_id": "C03637", + "inchi": null, + "name": "Protein serine D-xyloside", + "names": [ + "Protein serine D-xyloside" + ] + }, + { + "compound_id": "C03638", + "inchi": null, + "name": "RNA 3'-terminal-phosphate", + "names": [ + "RNA 3'-terminal-phosphate" + ] + }, + { + "compound_id": "C03640", + "inchi": "InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1", + "name": "Sphingosyl-phosphocholine", + "names": [ + "Sphingosyl-phosphocholine" + ] + }, + { + "compound_id": "C03641", + "inchi": "InChI=1S/C23H38O6/c24-11-19-20(25)21(26)22(27)23(29-19)28-14-6-9-16-13(10-14)5-8-17-15-3-1-2-12(15)4-7-18(16)17/h12-27H,1-11H2/t12?,13?,14-,15?,16?,17?,18?,19+,20+,21-,22+,23+/m0/s1", + "name": "Sterol 3-beta-D-glucoside", + "names": [ + "Sterol 3-beta-D-glucoside" + ] + }, + { + "compound_id": "C03642", + "inchi": "InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1", + "name": "Taurolithocholate sulfate", + "names": [ + "3alpha-Sulfatolithocholyltaurine", + "Taurolithocholate sulfate", + "Taurolithocholic acid 3-sulfate" + ] + }, + { + "compound_id": "C03643", + "inchi": null, + "name": "[Tyrosine-3-monoxygenase]", + "names": [ + "[Tyrosine-3-monoxygenase]" + ] + }, + { + "compound_id": "C03645", + "inchi": null, + "name": "alpha-L-Arabinofuranoside", + "names": [ + "alpha-L-Arabinofuranoside" + ] + }, + { + "compound_id": "C03646", + "inchi": "InChI=1S/C16H26N4O10S2/c17-7(13(23)24)1-3-11(21)19-9(15(27)28)5-31-32-6-10(16(29)30)20-12(22)4-2-8(18)14(25)26/h7-10H,1-6,17-18H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t7-,8-,9-,10-/m0/s1", + "name": "Bis-gamma-glutamylcystine", + "names": [ + "Bis-gamma-L-glutamyl-L-cystine", + "Bis-gamma-glutamylcystine", + "Oxidized gamma-L-glutamyl-L-cysteine", + "Oxidized gamma-glutamylcysteine" + ] + }, + { + "compound_id": "C03647", + "inchi": "InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2+", + "name": "cis,trans-Hexadienedioate", + "names": [ + "cis,trans-Hexadienedioate", + "cis-trans-hexadienedioate" + ] + }, + { + "compound_id": "C03648", + "inchi": "InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H/t13-,14-,15+/m0/s1", + "name": "cis-3,4-Leucopelargonidin", + "names": [ + "cis-3,4-Leucopelargonidin" + ] + }, + { + "compound_id": "C03649", + "inchi": null, + "name": "gamma-L-Glutamyl-acceptor", + "names": [ + "gamma-L-Glutamyl-acceptor" + ] + }, + { + "compound_id": "C03651", + "inchi": "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1", + "name": "trans-4-Hydroxy-D-proline", + "names": [ + "trans-4-Hydroxy-D-proline" + ] + }, + { + "compound_id": "C03652", + "inchi": "InChI=1S/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)/t3-,6-/m1/s1", + "name": "(2R,3S)-2,3-Dimethylmalate", + "names": [ + "(2R,3S)-2,3-Dimethylmalate", + "2,3-dimethylmalate" + ] + }, + { + "compound_id": "C03654", + "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3?,5-,6-/m1/s1", + "name": "(3S,4R)-Ketose 1-phosphate", + "names": [ + "(3S,4R)-Ketose 1-phosphate" + ] + }, + { + "compound_id": "C03656", + "inchi": "InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1", + "name": "(S)-5-Amino-3-oxohexanoic acid", + "names": [ + "(S)-5-Amino-3-oxohexanoate", + "(S)-5-Amino-3-oxohexanoic acid" + ] + }, + { + "compound_id": "C03657", + "inchi": "InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)", + "name": "1,4-Dihydroxy-2-naphthoate", + "names": [ + "1,4-Dihydroxy-2-naphthoate", + "1,4-Dihydroxy-2-naphthoic acid" + ] + }, + { + "compound_id": "C03658", + "inchi": null, + "name": "1-Hydroxyalkyl-sn-glycerol", + "names": [ + "1-Hydroxyalkyl-sn-glycerol" + ] + }, + { + "compound_id": "C03659", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m1/s1", + "name": "1-O-Methyl-myo-inositol", + "names": [ + "1-O-Methyl-myo-inositol", + "1D-1-O-Methyl-myo-inositol" + ] + }, + { + "compound_id": "C03660", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m0/s1", + "name": "3-O-Methyl-myo-inositol", + "names": [ + "1D-3-O-Methyl-myo-inositol", + "3-O-Methyl-myo-inositol" + ] + }, + { + "compound_id": "C03661", + "inchi": "InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1", + "name": "1F-beta-D-Fructosylsucrose", + "names": [ + "1F-beta-D-Fructosylsucrose", + "beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside" + ] + }, + { + "compound_id": "C03662", + "inchi": "InChI=1S/C15H10O7/c16-6-1-2-7-9(17)5-12(22-11(7)3-6)8-4-10(18)14(20)15(21)13(8)19/h1-5,16,18-21H", + "name": "2'-Hydroxypseudobaptigenin", + "names": [ + "2'-Hydroxypseudobaptigenin" + ] + }, + { + "compound_id": "C03663", + "inchi": "InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3", + "name": "2',4'-Dihydroxyacetophenone", + "names": [ + "2',4'-Dihydroxyacetophenone", + "2,4-Dihydroxyacetophenone", + "Resacetophenone" + ] + }, + { + "compound_id": "C03664", + "inchi": "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)", + "name": "2,4-Dichlorophenoxyacetate", + "names": [ + "2,4-D", + "2,4-Dichlorophenoxyacetate", + "2,4-Dichlorophenoxyacetic acid" + ] + }, + { + "compound_id": "C03665", + "inchi": "InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)", + "name": "2-Amino-2-methylpropanoate", + "names": [ + "2-Amino-2-methylpropanoate", + "2-Aminoisobutyric acid" + ] + }, + { + "compound_id": "C03666", + "inchi": "InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b3-1-", + "name": "2-Carboxy-cis,cis-muconate", + "names": [ + "2-Carboxy-cis,cis-muconate" + ] + }, + { + "compound_id": "C03667", + "inchi": null, + "name": "2-Hydroxycarbonyl compound", + "names": [ + "2-Hydroxycarbonyl compound" + ] + }, + { + "compound_id": "C03668", + "inchi": "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)", + "name": "2-Hydroxydicarboxylic acid", + "names": [ + "2-Hydroxydicarboxylic acid" + ] + }, + { + "compound_id": "C03671", + "inchi": "InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)", + "name": "2-Pyrone-4,6-dicarboxylate", + "names": [ + "2-Pyrone-4,6-dicarboxylate" + ] + }, + { + "compound_id": "C03672", + "inchi": "InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)", + "name": "3-(4-Hydroxyphenyl)lactate", + "names": [ + "2-Hydroxy-3-(4-hydroxyphenyl)propanoate", + "3-(4-Hydroxyphenyl)lactate", + "4-Hydroxyphenyllactate", + "p-Hydroxyphenyllactate" + ] + }, + { + "compound_id": "C03673", + "inchi": "InChI=1S/C13H20N5O16P3/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(20)8(19)5(32-12)1-30-36(26,27)34-37(28,29)31-2-6(13(21)22)33-35(23,24)25/h3-6,8-9,12,19-20H,1-2H2,(H,21,22)(H,26,27)(H,28,29)(H2,14,15,16)(H2,23,24,25)/t5-,6?,8-,9-,12-/m1/s1", + "name": "3-(ADP)-2-phosphoglycerate", + "names": [ + "3-(ADP)-2-phosphoglycerate" + ] + }, + { + "compound_id": "C03674", + "inchi": null, + "name": "3-Carbamoyloxymethylcephem", + "names": [ + "3-Carbamoyloxymethylcephem" + ] + }, + { + "compound_id": "C03676", + "inchi": "InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3,7H,(H,8,9)(H,10,11)/b2-1-,4-3+", + "name": "3-Hydroxy-cis,cis-muconate", + "names": [ + "3-Hydroxy-cis,cis-muconate" + ] + }, + { + "compound_id": "C03677", + "inchi": "InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1", + "name": "4,21-Dehydrogeissoschizine", + "names": [ + "4,21-Dehydrogeissoschizine" + ] + }, + { + "compound_id": "C03678", + "inchi": "InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)", + "name": "4-Amino-3-hydroxybutanoate", + "names": [ + "4-Amino-3-hydroxybutanoate", + "4-Amino-3-hydroxybutanoic acid", + "GABOB", + "gamma-Amino-beta-hydroxybutyric acid" + ] + }, + { + "compound_id": "C03679", + "inchi": "InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2", + "name": "4-Chlorophenylacetonitrile", + "names": [ + "4-Chlorobenzyl cyanide", + "4-Chlorophenylacetonitrile" + ] + }, + { + "compound_id": "C03680", + "inchi": "InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)", + "name": "4-Imidazolone-5-propanoate", + "names": [ + "4,5-Dihydro-4-oxo-5-imidazolepropanoate", + "4-Imidazolone-5-propanoate", + "4-Imidazolone-5-propionic acid" + ] + }, + { + "compound_id": "C03681", + "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "5alpha-Pregnane-3,20-dione", + "names": [ + "5alpha-Dihydroprogesterone", + "5alpha-Pregnane-3,20-dione" + ] + }, + { + "compound_id": "C03682", + "inchi": "InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-7(11)5-8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)", + "name": "6-Acetamido-3-oxohexanoate", + "names": [ + "6-Acetamido-3-oxohexanoate" + ] + }, + { + "compound_id": "C03683", + "inchi": "InChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1", + "name": "6-Demethylsterigmatocystin", + "names": [ + "6-Demethylsterigmatocystin" + ] + }, + { + "compound_id": "C03684", + "inchi": "InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)", + "name": "6-Pyruvoyltetrahydropterin", + "names": [ + "6-(1,2-Dioxopropyl)-5,6,7,8-tetrahydropterin", + "6-Pyruvoyl-5,6,7,8-tetrahydropterin", + "6-Pyruvoyltetrahydropterin" + ] + }, + { + "compound_id": "C03685", + "inchi": "InChI=1S/C30H50N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h15-17,19,23-25,29,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25?,29-/m1/s1", + "name": "7-Methyl-3-oxooctanoyl-CoA", + "names": [ + "7-Methyl-3-oxooctanoyl-CoA" + ] + }, + { + "compound_id": "C03686", + "inchi": "InChI=1S/C19H14O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-9,19H,1-2H3/t9-,19+/m0/s1", + "name": "O-Methylsterigmatocystin", + "names": [ + "8-O-Methylsterigmatocystin", + "O-Methylsterigmatocystin" + ] + }, + { + "compound_id": "C03687", + "inchi": "InChI=1S/CH6N2/c2-1-3/h1-3H2", + "name": "Alkane-alpha,omega-diamine", + "names": [ + "Alkane-alpha,omega-diamine" + ] + }, + { + "compound_id": "C03688", + "inchi": null, + "name": "Apo-[acyl-carrier-protein]", + "names": [ + "Apo-[acyl-carrier-protein]", + "acyl-carrier-protein" + ] + }, + { + "compound_id": "C03690", + "inchi": "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3", + "name": "Bis(2-ethylhexyl)phthalate", + "names": [ + "Bis(2-ethylhexyl)phthalate", + "DEHP", + "Di(2-ethylhexyl)phthalate", + "Dioctyl phthalate" + ] + }, + { + "compound_id": "C03691", + "inchi": "InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1", + "name": "CMP-N-glycoloylneuraminate", + "names": [ + "CMP-N-glycoloylneuraminate", + "CMP-N-glycolylneuraminate", + "CMP-NeuNGc" + ] + }, + { + "compound_id": "C03692", + "inchi": null, + "name": "1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol", + "names": [ + "1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol", + "3-(beta-D-Galactosyl)-1,2-diacyl-sn-glycerol", + "3-beta-D-Galactosyl-1,2-diacylglycerol", + "D-Galactosyldiacylglycerol", + "Galbeta1->3acyl2Gro", + "MGDG", + "Monogalactosyl-diacylglycerol", + "Monogalactosyldiglyceride" + ] + }, + { + "compound_id": "C03693", + "inchi": "InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5+,6-/m1/s1", + "name": "D-Mannose 1,6-bisphosphate", + "names": [ + "D-Mannose 1,6-bisphosphate" + ] + }, + { + "compound_id": "C03701", + "inchi": null, + "name": "Glycosyl-N-acylsphingosine", + "names": [ + "Glycosyl-N-acylsphingosine" + ] + }, + { + "compound_id": "C03702", + "inchi": null, + "name": "Histone N6-methyl-L-lysine", + "names": [ + "Histone N6-methyl-L-lysine" + ] + }, + { + "compound_id": "C03703", + "inchi": "InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m0/s1", + "name": "L-5-Carboxymethylhydantoin", + "names": [ + "L-5-Carboxymethylhydantoin" + ] + }, + { + "compound_id": "C03706", + "inchi": null, + "name": "Lysosomal-enzyme D-mannose", + "names": [ + "Lysosomal-enzyme D-mannose" + ] + }, + { + "compound_id": "C03707", + "inchi": null, + "name": "Monoterpenol acetate ester", + "names": [ + "Monoterpenol acetate ester" + ] + }, + { + "compound_id": "C03708", + "inchi": null, + "name": "N-Acetyl-O-acetylneuraminate", + "names": [ + "N-Acetyl-O-acetylneuraminate" + ] + }, + { + "compound_id": "C03709", + "inchi": "InChI=1S/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,24,30,31)/t11-,12+,14+,15+,18+/m0/s1", + "name": "N-Adenylyl-L-phenylalanine", + "names": [ + "N-Adenylyl-L-phenylalanine" + ] + }, + { + "compound_id": "C03710", + "inchi": "InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)", + "name": "N-Benzyloxycarbonylglycine", + "names": [ + "Benzyloxycarbonylglycine", + "N-Benzyloxycarbonylglycine", + "N-CBZ-glycine", + "benzyloxycarbonylglycine" + ] + }, + { + "compound_id": "C03711", + "inchi": "InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3", + "name": "N-Methylphenylethanolamine", + "names": [ + "N-Methylphenylethanolamine", + "alpha-[(Methylamino)methyl]-benzyl alcohol" + ] + }, + { + "compound_id": "C03712", + "inchi": "InChI=1S/C19H20N2O4/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25)/t16-/m0/s1", + "name": "N2,N5-Dibenzoyl-L-ornithine", + "names": [ + "L-Ornithuric acid", + "N2,N5-Dibenzoyl-L-ornithine" + ] + }, + { + "compound_id": "C03715", + "inchi": null, + "name": "O-Alkylglycerone phosphate", + "names": [ + "Alkyl-glycerone 3-phosphate", + "Dihydroxyacetone phosphate alkyl ether", + "O-Alkylglycerone phosphate" + ] + }, + { + "compound_id": "C03716", + "inchi": "InChI=1S/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)", + "name": "Oxaloacetate 4-methyl ester", + "names": [ + "Oxaloacetate 4-methyl ester" + ] + }, + { + "compound_id": "C03717", + "inchi": "InChI=1S/C25H21N3O2/c29-21-13-11-20(12-14-21)23-17-26-25(22(27-23)15-18-7-3-1-4-8-18)28-24(30)16-19-9-5-2-6-10-19/h1-14,17,29H,15-16H2,(H,26,28,30)", + "name": "Oxidized Renilla luciferin", + "names": [ + "Oxidized Renilla luciferin" + ] + }, + { + "compound_id": "C03719", + "inchi": "InChI=1S/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)", + "name": "Phenylacetothiohydroximate", + "names": [ + "Phenylacetothiohydroximate" + ] + }, + { + "compound_id": "C03721", + "inchi": null, + "name": "Protein tyrosine-O-sulfate", + "names": [ + "Protein tyrosine-O-sulfate" + ] + }, + { + "compound_id": "C03722", + "inchi": "InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)", + "name": "Quinolinate", + "names": [ + "2,3-Pyridinedicarboxylic acid", + "Pyridine-2,3-dicarboxylate", + "Quinolinate", + "Quinolinic acid" + ] + }, + { + "compound_id": "C03723", + "inchi": null, + "name": "Ribonucleoside diphosphate", + "names": [ + "Ribonucleoside diphosphate" + ] + }, + { + "compound_id": "C03724", + "inchi": "InChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20?,24-/m1/s1", + "name": "S-(5-Hydroxy-2-furoyl)-CoA", + "names": [ + "S-(5-Hydroxy-2-furoyl)-CoA" + ] + }, + { + "compound_id": "C03725", + "inchi": "InChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1", + "name": "S-Acetylphosphopantetheine", + "names": [ + "S-Acetylphosphopantetheine" + ] + }, + { + "compound_id": "C03726", + "inchi": null, + "name": "S-Alkyl-L-cysteine S-oxide", + "names": [ + "S-Alkyl-L-cysteine S-oxide" + ] + }, + { + "compound_id": "C03727", + "inchi": "InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1", + "name": "S-Carboxymethyl-L-cysteine", + "names": [ + "L-Carbocisteine", + "S-Carboxymethyl-L-cysteine" + ] + }, + { + "compound_id": "C03730", + "inchi": null, + "name": "Single-stranded nucleotide", + "names": [ + "Single-stranded nucleotide" + ] + }, + { + "compound_id": "C03731", + "inchi": "InChI=1S/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14?,15-,16?,17?,18?,21+/m0/s1", + "name": "Streptomycin 3''-phosphate", + "names": [ + "Streptomycin 3''-phosphate" + ] + }, + { + "compound_id": "C03733", + "inchi": "InChI=1S/C15H24N2O17P2/c18-3-5(19)12-9(22)11(24)14(32-12)33-36(28,29)34-35(26,27)30-4-6-8(21)10(23)13(31-6)17-2-1-7(20)16-15(17)25/h1-2,5-6,8-14,18-19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,16,20,25)/t5-,6-,8-,9-,10-,11-,12+,13-,14-/m1/s1", + "name": "UDP-alpha-D-galacto-1,4-furanose", + "names": [ + "UDP-D-galacto-1,4-furanose", + "UDP-alpha-D-galacto-1,4-furanose" + ] + }, + { + "compound_id": "C03734", + "inchi": "InChI=1S/C5H10NO7P/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H,7,8)(H2,10,11,12)/t3-/m1/s1", + "name": "alpha-D-Glutamyl phosphate", + "names": [ + "alpha-D-Glutamyl phosphate" + ] + }, + { + "compound_id": "C03735", + "inchi": "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2?,3?,4?,5?,6-/m0/s1", + "name": "alpha-D-Hexose 6-phosphate", + "names": [ + "alpha-D-Hexose 6-phosphate" + ] + }, + { + "compound_id": "C03736", + "inchi": "InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1", + "name": "alpha-D-Ribose 5-phosphate", + "names": [ + "alpha-D-Ribose 5-phosphate" + ] + }, + { + "compound_id": "C03737", + "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1", + "name": "alpha-D-Xylose 1-phosphate", + "names": [ + "alpha-D-Xylose 1-phosphate" + ] + }, + { + "compound_id": "C03738", + "inchi": "InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1", + "name": "gamma-L-Glutamyl-D-alanine", + "names": [ + "L-gamma-Glutamyl-D-alanine", + "gamma-L-Glutamyl-D-alanine" + ] + }, + { + "compound_id": "C03739", + "inchi": "InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1", + "name": "trans-1,2-Cyclohexanediol", + "names": [ + "trans-1,2-Cyclohexanediol", + "trans-Cyclohexane-1,2-diol" + ] + }, + { + "compound_id": "C03740", + "inchi": null, + "name": "(5-L-Glutamyl)-L-amino acid", + "names": [ + "(5-L-Glutamyl)-L-amino acid", + "L-gamma-Glutamyl-L-amino acid" + ] + }, + { + "compound_id": "C03741", + "inchi": "InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1", + "name": "(S)-4-Amino-5-oxopentanoate", + "names": [ + "(S)-4-Amino-5-oxopentanoate", + "L-Glutamate 1-semialdehyde" + ] + }, + { + "compound_id": "C03742", + "inchi": "InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1", + "name": "(S)-4-Hydroxymandelonitrile", + "names": [ + "(S)-4-Hydroxymandelonitrile" + ] + }, + { + "compound_id": "C03743", + "inchi": "InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H", + "name": "1,2,3,5-Tetrahydroxybenzene", + "names": [ + "1,2,3,5-Tetrahydroxybenzene" + ] + }, + { + "compound_id": "C03747", + "inchi": "InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1", + "name": "11alpha-Hydroxyprogesterone", + "names": [ + "11alpha-Hydroxyprogesterone" + ] + }, + { + "compound_id": "C03748", + "inchi": "InChI=1S/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19?,20+,21+/m1/s1", + "name": "16alpha-Hydroxyprogesterone", + "names": [ + "16-alpha-Hydroxyprogesterone", + "16alpha-Hydroxyprogesterone" + ] + }, + { + "compound_id": "C03750", + "inchi": "InChI=1S/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16)", + "name": "2,6-Dioxo-6-phenylhexanoate", + "names": [ + "2,6-Dioxo-6-phenylhexanoate" + ] + }, + { + "compound_id": "C03752", + "inchi": "InChI=1S/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)/t2-,3-,4-,5-/m1/s1", + "name": "2-Amino-2-deoxy-D-gluconate", + "names": [ + "2-Amino-2-deoxy-D-gluconate", + "D-Glucosaminate", + "D-Glucosaminic acid", + "Glucosaminate" + ] + }, + { + "compound_id": "C03753", + "inchi": "InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H", + "name": "2-Chloro-1,4-naphthoquinone", + "names": [ + "2-Chloro-1,4-naphthoquinone" + ] + }, + { + "compound_id": "C03754", + "inchi": "InChI=1S/C4H9O5P/c1-3(2)4(5)9-10(6,7)8/h3H,1-2H3,(H2,6,7,8)", + "name": "2-Methylpropanoyl phosphate", + "names": [ + "2-Methylpropanoyl phosphate", + "2-Methylpropionyl phosphate" + ] + }, + { + "compound_id": "C03755", + "inchi": "InChI=1S/C21H41N7O11/c1-5-6(3-29)16(38-18-10(26-2)14(34)11(31)7(4-30)37-18)19(36-5)39-17-9(28-21(24)25)12(32)8(27-20(22)23)13(33)15(17)35/h5-19,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16?,17?,18?,19?/m0/s1", + "name": "3'-Deoxydihydrostreptomycin", + "names": [ + "3'-Deoxydihydrostreptomycin" + ] + }, + { + "compound_id": "C03757", + "inchi": "InChI=1S/C8H7NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H", + "name": "3,4-Dihydroxymandelonitrile", + "names": [ + "3,4-Dihydroxymandelonitrile" + ] + }, + { + "compound_id": "C03758", + "inchi": "InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2", + "name": "Dopamine", + "names": [ + "2-(3,4-Dihydroxyphenyl)ethylamine", + "3,4-Dihydroxyphenethylamine", + "4-(2-Aminoethyl)-1,2-benzenediol", + "4-(2-Aminoethyl)benzene-1,2-diol", + "Dopamine" + ] + }, + { + "compound_id": "C03761", + "inchi": "InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)", + "name": "3-Hydroxy-3-methylglutarate", + "names": [ + "3-Hydorxy-3-methylglutaric acid", + "3-Hydroxy-3-methylglutarate", + "3-Hydroxy-3-methylpentanedioic acid", + "Dicrotalic acid", + "Meglutol", + "beta-Hydroxy-beta-methylglutaric acid" + ] + }, + { + "compound_id": "C03762", + "inchi": "InChI=1S/C6H6N2O3/c9-5(6(10)11)3-8-2-1-7-4-8/h1-2,4H,3H2,(H,10,11)", + "name": "3-Imidazole-2-oxopropanoate", + "names": [ + "3-Imidazole-2-oxopropanoate" + ] + }, + { + "compound_id": "C03764", + "inchi": "InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3/b16-15+", + "name": "para-(Dimethylamino)azobenzene", + "names": [ + "4-(Dimethylamino)phenylazobenzene", + "Dimethyl yellow", + "Methyl yellow", + "N,N-Dimethyl-4-(phenylazo)benzenamine", + "para-(Dimethylamino)azobenzene" + ] + }, + { + "compound_id": "C03765", + "inchi": "InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2", + "name": "4-Hydroxyphenylacetaldehyde", + "names": [ + "2-(4-Hydroxyphenyl)acetaldehyde", + "4-Hydroxyphenylacetaldehyde" + ] + }, + { + "compound_id": "C03766", + "inchi": "InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2", + "name": "4-Hydroxyphenylacetonitrile", + "names": [ + "4-Hydroxybenzyl cyanide", + "4-Hydroxyphenylacetonitrile" + ] + }, + { + "compound_id": "C03767", + "inchi": "InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)", + "name": "4-Oxocyclohexanecarboxylate", + "names": [ + "4-Oxocyclohexanecarboxylate" + ] + }, + { + "compound_id": "C03768", + "inchi": null, + "name": "4-Substituted phenylacetate", + "names": [ + "4-Substituted phenylacetate" + ] + }, + { + "compound_id": "C03771", + "inchi": "InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)", + "name": "5-Guanidino-2-oxopentanoate", + "names": [ + "2-Oxo-5-guanidino-pentanoate", + "2-Oxo-5-guanidinopentanoate", + "2-Oxoarginine", + "5-Guanidino-2-oxo-pentanoate", + "5-Guanidino-2-oxopentanoate" + ] + }, + { + "compound_id": "C03772", + "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1", + "name": "5beta-Androstane-3,17-dione", + "names": [ + "5beta-Androstane-3,17-dione" + ] + }, + { + "compound_id": "C03773", + "inchi": null, + "name": "6-Acetyl-beta-D-galactoside", + "names": [ + "6-Acetyl-beta-D-galactoside" + ] + }, + { + "compound_id": "C03776", + "inchi": "InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-/m1/s1", + "name": "N-Acetyl-D-mannosaminolactone", + "names": [ + "N-Acetyl-D-mannosaminolactone" + ] + }, + { + "compound_id": "C03779", + "inchi": "InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)", + "name": "Bis(4-nitrophenyl)phosphate", + "names": [ + "Bis(4-nitrophenyl)phosphate", + "Bis-4-nitrophenyl phosphate" + ] + }, + { + "compound_id": "C03782", + "inchi": "InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1", + "name": "D-(1-Aminoethyl)phosphonate", + "names": [ + "D-(1-Aminoethyl)phosphonate", + "D-(1-Aminoethyl)phosphonic acid" + ] + }, + { + "compound_id": "C03783", + "inchi": "InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1", + "name": "D-Galactosamine 1-phosphate", + "names": [ + "D-Galactosamine 1-phosphate" + ] + }, + { + "compound_id": "C03785", + "inchi": "InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1", + "name": "D-Tagatose 1,6-bisphosphate", + "names": [ + "D-Tagatose 1,6-bisphosphate" + ] + }, + { + "compound_id": "C03786", + "inchi": null, + "name": "Deoxynucleoside diphosphate", + "names": [ + "Deoxynucleoside diphosphate" + ] + }, + { + "compound_id": "C03788", + "inchi": null, + "name": "Microsomal-membrane protein", + "names": [ + "Microsomal-membrane protein" + ] + }, + { + "compound_id": "C03789", + "inchi": "InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6?/m1/s1", + "name": "N,6-O-Disulfo-D-glucosamine", + "names": [ + "N,6-O-Disulfo-D-glucosamine", + "N2,6-Disulfo-D-glucosamine" + ] + }, + { + "compound_id": "C03790", + "inchi": "InChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1", + "name": "N-(Carboxymethyl)-D-alanine", + "names": [ + "N-(Carboxymethyl)-D-alanine", + "Strombine" + ] + }, + { + "compound_id": "C03792", + "inchi": null, + "name": "N-Acyl-D-mannosaminolactone", + "names": [ + "N-Acyl-D-mannosaminolactone" + ] + }, + { + "compound_id": "C03793", + "inchi": "InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1", + "name": "N6,N6,N6-Trimethyl-L-lysine", + "names": [ + "N6,N6,N6-Trimethyl-L-lysine" + ] + }, + { + "compound_id": "C03794", + "inchi": "InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1", + "name": "N6-(1,2-Dicarboxyethyl)-AMP", + "names": [ + "Adenylosuccinate", + "Adenylosuccinic acid", + "N6-(1,2-Dicarboxyethyl)-AMP", + "N6-(1,2-Dicarboxyethyl)AMP" + ] + }, + { + "compound_id": "C03795", + "inchi": "InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1", + "name": "N6-Methyl-2'-deoxyadenosine", + "names": [ + "N6-Methyl-2'-deoxyadenosine" + ] + }, + { + "compound_id": "C03796", + "inchi": "InChI=1S/C35H62NO15P/c1-16-14-35(15-45-35)32(39)19(4)27(37)18(3)22(7)48-33(40)21(6)30(49-26-13-25(44-11)28(38)23(8)47-26)20(5)29(16)50-34-31(51-52(41,42)43)24(36(9)10)12-17(2)46-34/h16-31,34,37-38H,12-15H2,1-11H3,(H2,41,42,43)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26?,27-,28-,29?,30?,31+,34?,35+/m0/s1", + "name": "Oleandomycin 2'-O-phosphate", + "names": [ + "Oleandomycin 2'-O-phosphate" + ] + }, + { + "compound_id": "C03797", + "inchi": "InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2", + "name": "Oxidized Photinus luciferin", + "names": [ + "Oxidized Photinus luciferin" + ] + }, + { + "compound_id": "C03798", + "inchi": null, + "name": "Peptidylproline (omega=180)", + "names": [ + "Peptidylproline (omega=180)" + ] + }, + { + "compound_id": "C03799", + "inchi": "InChI=1S/C16H29O9P/c1-10(2)5-4-6-11(3)7-8-23-26(21,22)25-16-15(20)14(19)13(18)12(9-17)24-16/h5,7,12-20H,4,6,8-9H2,1-3H3,(H,21,22)/b11-7+/t12-,13-,14+,15-,16+/m1/s1", + "name": "Polyprenylphosphate-glucose", + "names": [ + "Polyprenylphosphate-glucose" + ] + }, + { + "compound_id": "C03800", + "inchi": null, + "name": "Protein S-methyl-L-cysteine", + "names": [ + "Protein S-methyl-L-cysteine" + ] + }, + { + "compound_id": "C03801", + "inchi": "InChI=1S/C29H33N9O12/c30-29-37-23-22(26(46)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(44)35-17(27(47)48)5-8-19(39)34-16(6-9-20(40)41)25(45)36-18(28(49)50)7-10-21(42)43/h1-4,12,16-18,31H,5-11H2,(H,34,39)(H,35,44)(H,36,45)(H,40,41)(H,42,43)(H,47,48)(H,49,50)(H3,30,32,37,38,46)/t16?,17-,18?/m0/s1", + "name": "Pteroylpoly-gamma-glutamate", + "names": [ + "Pteroylpoly-gamma-glutamate" + ] + }, + { + "compound_id": "C03802", + "inchi": null, + "name": "Ribonucleoside triphosphate", + "names": [ + "Ribonucleoside triphosphate" + ] + }, + { + "compound_id": "C03803", + "inchi": null, + "name": "Ribosomal-protein L-alanine", + "names": [ + "Ribosomal-protein L-alanine", + "Ribosomal-protein N-terminal-L-alanine" + ] + }, + { + "compound_id": "C03804", + "inchi": "InChI=1S/C4H8O3S/c1-8-4(7)3(6)2-5/h3,5-6H,2H2,1H3/t3-/m1/s1", + "name": "S-Methyl-1-thio-D-glycerate", + "names": [ + "S-Methyl-1-thio-D-glycerate" + ] + }, + { + "compound_id": "C03805", + "inchi": "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h2-19H2,1H3,(H2,24,25,26)", + "name": "Stearoylglycerone phosphate", + "names": [ + "Stearoylglycerone phosphate" + ] + }, + { + "compound_id": "C03806", + "inchi": null, + "name": "Substituted beta-amino acid", + "names": [ + "Substituted beta-amino acid" + ] + }, + { + "compound_id": "C03808", + "inchi": null, + "name": "[Pyruvate kinase] phosphate", + "names": [ + "[Pyruvate kinase] phosphate" + ] + }, + { + "compound_id": "C03811", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5+,6+/m1/s1", + "name": "alpha-D-Glucose 3-phosphate", + "names": [ + "alpha-D-Glucose 3-phosphate" + ] + }, + { + "compound_id": "C03817", + "inchi": "InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)/t5-/m0/s1", + "name": "(S)-3-(Imidazol-5-yl)lactate", + "names": [ + "(S)-3-(Imidazol-5-yl)lactate" + ] + }, + { + "compound_id": "C03819", + "inchi": null, + "name": "1-Acylglycerophosphoinositol", + "names": [ + "1-Acyl-sn-glycero-3-phosphoinositol", + "1-Acylglycerophosphoinositol" + ] + }, + { + "compound_id": "C03820", + "inchi": null, + "name": "1-Alkyl-2-acetyl-sn-glycerol", + "names": [ + "1-Alkyl-2-acetyl-sn-glycerol", + "1-O-Alkyl-2-acetyl-sn-glycerol", + "2-Acetyl-1-alkyl-sn-glycerol" + ] + }, + { + "compound_id": "C03822", + "inchi": "InChI=1S/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1", + "name": "2,6-Dichlorophenolindophenol sodium salt", + "names": [ + "2,6-Dichloroindophenol sodium salt", + "2,6-Dichlorophenolindophenol sodium salt" + ] + }, + { + "compound_id": "C03823", + "inchi": null, + "name": "2-(2-Hydroxyacyl)sphingosine", + "names": [ + "2-(2-Hydroxyacyl)sphingosine" + ] + }, + { + "compound_id": "C03824", + "inchi": "InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+", + "name": "2-Aminomuconate semialdehyde", + "names": [ + "2-Aminomuconate 6-semialdehyde", + "2-Aminomuconate semialdehyde" + ] + }, + { + "compound_id": "C03826", + "inchi": "InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/t3-/m0/s1", + "name": "2-Dehydro-3-deoxy-D-xylonate", + "names": [ + "(4S)-4,5-Dihydroxy-2-oxopentanoate", + "2-Dehydro-3-deoxy-D-arabinonate", + "2-Dehydro-3-deoxy-D-pentonate", + "2-Dehydro-3-deoxy-D-xylonate" + ] + }, + { + "compound_id": "C03827", + "inchi": "InChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4-/m0/s1", + "name": "2-Dehydro-3-deoxy-L-fuconate", + "names": [ + "2-Dehydro-3-deoxy-L-fuconate" + ] + }, + { + "compound_id": "C03828", + "inchi": "InChI=1S/C6H15N2O6P/c7-2-1-3(8)5(10)6(4(2)9)14-15(11,12)13/h2-6,9-10H,1,7-8H2,(H2,11,12,13)/t2-,3+,4+,5-,6-", + "name": "2-Deoxystreptamine phospahte", + "names": [ + "2-Deoxystreptamine phospahte" + ] + }, + { + "compound_id": "C03829", + "inchi": "InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11+/m0/s1", + "name": "2S,5S-Methionine sulfoximine", + "names": [ + "(R-(R*,S*))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide", + "2S,5S-Methionine sulfoximine" + ] + }, + { + "compound_id": "C03830", + "inchi": "InChI=1S/C10H8O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h2-4,11-12H,1H3", + "name": "3,4-Dehydro-6-hydroxymellein", + "names": [ + "3,4-Dehydro-6-hydroxymellein" + ] + }, + { + "compound_id": "C03832", + "inchi": "InChI=1S/C15H9I3O5/c16-9-6-8(1-2-12(9)19)23-14-10(17)3-7(4-11(14)18)5-13(20)15(21)22/h1-4,6,19H,5H2,(H,21,22)", + "name": "3,5,3'-Triiodothyropyruvate", + "names": [ + "3,5,3'-Triiodothyropyruvate", + "3-[4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate" + ] + }, + { + "compound_id": "C03834", + "inchi": null, + "name": "3-Hydroxymonocarboxylic acid", + "names": [ + "3-Hydroxymonocarboxylic acid" + ] + }, + { + "compound_id": "C03836", + "inchi": "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15?,16?,17?,18?,19?/m0/s1", + "name": "3beta-Hydroxy-delta5-steroid", + "names": [ + "3beta-Hydroxy-delta5-steroid" + ] + }, + { + "compound_id": "C03837", + "inchi": "InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3", + "name": "4-Methylumbelliferyl acetate", + "names": [ + "4-Methylumbelliferyl acetate" + ] + }, + { + "compound_id": "C03838", + "inchi": "InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1", + "name": "5'-Phosphoribosylglycinamide", + "names": [ + "5'-Phosphoribosylglycinamide", + "GAR", + "Glycinamide ribonucleotide", + "N1-(5-Phospho-D-ribosyl)glycinamide" + ] + }, + { + "compound_id": "C03840", + "inchi": "InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H", + "name": "5-Hydroxy-1,4-naphthoquinone", + "names": [ + "5-Hydroxy-1,4-naphthoquinone", + "Juglone" + ] + }, + { + "compound_id": "C03843", + "inchi": "InChI=1S/C10H16O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6?,7-,10?/m1/s1", + "name": "5-exo-Hydroxy-1,2-campholide", + "names": [ + "5-exo-Hydroxy-1,2-campholide" + ] + }, + { + "compound_id": "C03844", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1", + "name": "D-Pinitol", + "names": [ + "1D-3-O-Methyl-chiro-inositol", + "5D-5-O-Methyl-chiro-inositol", + "D-Pinitol" + ] + }, + { + "compound_id": "C03845", + "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1", + "name": "5alpha-Cholest-8-en-3beta-ol", + "names": [ + "5alpha-Cholest-8-en-3beta-ol", + "Cholestenol", + "Zymostenol" + ] + }, + { + "compound_id": "C03846", + "inchi": "InChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)", + "name": "6-Acetamido-3-aminohexanoate", + "names": [ + "6-Acetamido-3-aminohexanoate" + ] + }, + { + "compound_id": "C03847", + "inchi": null, + "name": "6-Phospho-beta-D-galactoside", + "names": [ + "6-Phospho-beta-D-galactoside" + ] + }, + { + "compound_id": "C03848", + "inchi": "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-10(24)15(29)18(4-21,33-7)34-17-14(28)12(26)9(23)6(2-20)32-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1", + "name": "6F-alpha-D-Galactosylsucrose", + "names": [ + "6F-alpha-D-Galactosylsucrose", + "Planteose" + ] + }, + { + "compound_id": "C03849", + "inchi": null, + "name": "Acyl-sn-glycerol 3-phosphate", + "names": [ + "Acyl-sn-glycerol 3-phosphate" + ] + }, + { + "compound_id": "C03850", + "inchi": "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine 2',5'-bisphosphate", + "names": [ + "Adenosine 2',5'-bisphosphate" + ] + }, + { + "compound_id": "C03851", + "inchi": "InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine 5'-phosphoramidate", + "names": [ + "Adenosine 5'-phosphoramidate" + ] + }, + { + "compound_id": "C03852", + "inchi": "InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,17+,18?,19?/m1/s1", + "name": "Androstan-3alpha,17beta-diol", + "names": [ + "Androstan-3alpha,17beta-diol" + ] + }, + { + "compound_id": "C03853", + "inchi": "InChI=1S/C9H22O13P2/c10-1-7(12)3-19-23(15,16)21-5-9(14)6-22-24(17,18)20-4-8(13)2-11/h7-14H,1-6H2,(H,15,16)(H,17,18)", + "name": "Bis(glycerophospho)-glycerol", + "names": [ + "Bis(glycerophospho)-glycerol" + ] + }, + { + "compound_id": "C03855", + "inchi": "InChI=1S/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1", + "name": "Cholesteryl-beta-D-glucoside", + "names": [ + "Cholesteryl-beta-D-glucoside" + ] + }, + { + "compound_id": "C03857", + "inchi": "InChI=1S/C12H22O11/c13-1-5-7(15)10(18)12(20,22-5)4-21-2-6-8(16)9(17)11(19,3-14)23-6/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1", + "name": "D-Fructosyl-D-fructofuranose", + "names": [ + "D-Fructosyl-D-fructofuranose" + ] + }, + { + "compound_id": "C03858", + "inchi": "InChI=1S/C24H49NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h18-24,26-30H,2-17,25H2,1H3/t18?,19?,20-,21-,22+,23-,24-/m1/s1", + "name": "D-Glucosyldihydrosphingosine", + "names": [ + "D-Glucosyldihydrosphingosine" + ] + }, + { + "compound_id": "C03859", + "inchi": null, + "name": "D-Glucosyllipopolysaccharide", + "names": [ + "D-Glucosyllipopolysaccharide" + ] + }, + { + "compound_id": "C03860", + "inchi": "InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9?,10-,13+,14-/m0/s1", + "name": "Deaminohydroxyblasticidin S", + "names": [ + "Deaminohydroxyblasticidin S" + ] + }, + { + "compound_id": "C03861", + "inchi": "InChI=1S/C12H6O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H", + "name": "Dibenzo[1,4]dioxin-2,3-dione", + "names": [ + "Dibenzo[1,4]dioxin-2,3-dione", + "Diphenylenedioxide-2,3-quinone" + ] + }, + { + "compound_id": "C03862", + "inchi": "InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26?,27-,28-,29+,30+,31+/m1/s1", + "name": "Dolichyl phosphate D-mannose", + "names": [ + "Dolichyl D-mannosyl phosphate", + "Dolichyl phosphate D-mannose" + ] + }, + { + "compound_id": "C03864", + "inchi": "InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m1/s1", + "name": "Ethyl (R)-3-hydroxyhexanoate", + "names": [ + "Ethyl (R)-3-hydroxyhexanoate" + ] + }, + { + "compound_id": "C03865", + "inchi": "InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1", + "name": "Ethyl (S)-3-hydroxyhexanoate", + "names": [ + "Ethyl (S)-3-hydroxyhexanoate" + ] + }, + { + "compound_id": "C03866", + "inchi": null, + "name": "Glucuronoxylan D-glucuronate", + "names": [ + "Glucuronoxylan", + "Glucuronoxylan D-glucuronate" + ] + }, + { + "compound_id": "C03868", + "inchi": "InChI=1S/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2/t11-,12-,13+,14+,15-,16+", + "name": "Indole-3-acetyl-myo-inositol", + "names": [ + "Indol-3-ylacetyl-myo-inositol", + "Indole-3-acetyl-myo-inositol", + "Indole-3-ylacetyl-myo-inositol" + ] + }, + { + "compound_id": "C03870", + "inchi": "InChI=1S/C27H30O15/c1-8-19(33)22(36)24(38)27(39-8)42-26-23(37)20(34)16(7-28)41-25(26)18-13(32)6-15-17(21(18)35)12(31)5-14(40-15)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25-,26+,27+/m0/s1", + "name": "Isoorientin 2''-O-rhamnoside", + "names": [ + "Isoorientin 2''-O-rhamnoside" + ] + }, + { + "compound_id": "C03871", + "inchi": "InChI=1S/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)/t4-/m0/s1", + "name": "L-2-Amino-6-oxoheptanedioate", + "names": [ + "L-2-Amino-6-oxoheptanedioate", + "L-2-Amino-6-oxopimelate" + ] + }, + { + "compound_id": "C03872", + "inchi": "InChI=1S/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)/t4-/m0/s1", + "name": "L-Serine-phosphoethanolamine", + "names": [ + "L-Serine-phosphoethanolamine", + "Serine phosphoethanolamine" + ] + }, + { + "compound_id": "C03873", + "inchi": null, + "name": "Linoleoylphosphatidylcholine", + "names": [ + "2-Acyl-1-linoleoyl-sn-glycero-3-phosphocholine", + "Linoleoylphosphatidylcholine" + ] + }, + { + "compound_id": "C03874", + "inchi": null, + "name": "Myosin heavy-chain phosphate", + "names": [ + "Myosin heavy-chain phosphate" + ] + }, + { + "compound_id": "C03875", + "inchi": null, + "name": "Myosin light chain phosphate", + "names": [ + "Myosin light chain phosphate", + "Myosin light-chain phosphate" + ] + }, + { + "compound_id": "C03878", + "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1", + "name": "N-Acetyl-beta-D-glucosamine", + "names": [ + "N-Acetyl-beta-D-glucosamine" + ] + }, + { + "compound_id": "C03879", + "inchi": null, + "name": "N-Acetyl-beta-D-hexosaminide", + "names": [ + "N-Acetyl-beta-D-hexosaminide" + ] + }, + { + "compound_id": "C03880", + "inchi": null, + "name": "N-Substituted aminoacyl-tRNA", + "names": [ + "N-Substituted aminoacyl-tRNA" + ] + }, + { + "compound_id": "C03881", + "inchi": null, + "name": "N-Tetradecanoylglycylpeptide", + "names": [ + "N-Tetradecanoylglycylpeptide" + ] + }, + { + "compound_id": "C03882", + "inchi": "InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+", + "name": "Piperine", + "names": [ + "1-Piperoyl-piperidine", + "N-[(E,E)-Piperoyl]piperidine", + "Piperine" + ] + }, + { + "compound_id": "C03884", + "inchi": "InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1", + "name": "Ngamma-Monomethyl-L-arginine", + "names": [ + "Ngamma-Monomethyl-L-arginine" + ] + }, + { + "compound_id": "C03885", + "inchi": "InChI=1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+", + "name": "3-Nonaprenyl-4-hydroxybenzoate", + "names": [ + "3-Nonaprenyl-4-hydroxybenzoate", + "Nonaprenyl-4-hydroxybenzoate" + ] + }, + { + "compound_id": "C03886", + "inchi": null, + "name": "Nucleoside 5'-phosphoacylate", + "names": [ + "Nucleoside 5'-phosphoacylate" + ] + }, + { + "compound_id": "C03887", + "inchi": "InChI=1S/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/t13-/m0/s1", + "name": "Oxidized Cypridina luciferin", + "names": [ + "Oxidized Cypridina luciferin" + ] + }, + { + "compound_id": "C03888", + "inchi": "InChI=1S/C25H21N3O9S2/c29-24(15-18-6-10-20(11-7-18)36-38(30,31)32)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(13-9-19)37-39(33,34)35/h1-13,16H,14-15H2,(H,26,28,29)(H,30,31,32)(H,33,34,35)", + "name": "Oxidized Watasenia luciferin", + "names": [ + "Oxidized Watasenia luciferin" + ] + }, + { + "compound_id": "C03889", + "inchi": null, + "name": "Palmitoylphosphatidylcholine", + "names": [ + "Palmitoylphosphatidylcholine" + ] + }, + { + "compound_id": "C03890", + "inchi": null, + "name": "Peptide(N-Glu, Asp, Cystine)", + "names": [ + "Peptide(N-Glu, Asp, Cystine)" + ] + }, + { + "compound_id": "C03892", + "inchi": null, + "name": "Phosphatidylglycerophosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-sn-glycerol 3'-phosphate", + "3(3-Phosphatidyl-)L-glycerol 1-phosphate", + "3(3-sn-Phosphatidyl)-sn-glycerol 1-phosphate", + "Phosphatidylglycerophosphate" + ] + }, + { + "compound_id": "C03893", + "inchi": null, + "name": "Poly(alpha-L-1,4-guluronate)", + "names": [ + "Poly(alpha-L-1,4-guluronate)" + ] + }, + { + "compound_id": "C03894", + "inchi": "InChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)", + "name": "Propane-1,2-diol 1-phosphate", + "names": [ + "Propane-1,2-diol 1-phosphate" + ] + }, + { + "compound_id": "C03895", + "inchi": null, + "name": "Peptide-L-methionine (S)-S-oxide", + "names": [ + "Peptide-L-methionine (S)-S-oxide" + ] + }, + { + "compound_id": "C03897", + "inchi": "InChI=1S/C15H10O16S3/c16-8-2-1-6(3-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)", + "name": "Quercetin 3,3',7-trissulfate", + "names": [ + "Quercetin 3,3',7-trissulfate" + ] + }, + { + "compound_id": "C03898", + "inchi": "InChI=1S/C15H10O16S3/c16-8-3-6(1-2-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)", + "name": "Quercetin 3,4',7-trissulfate", + "names": [ + "Quercetin 3,4',7-trissulfate" + ] + }, + { + "compound_id": "C03899", + "inchi": null, + "name": "S-(2-Hydroxyacyl)glutathione", + "names": [ + "S-(2-Hydroxyacyl)glutathione" + ] + }, + { + "compound_id": "C03900", + "inchi": "InChI=1S/C9H10BrNO2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1", + "name": "S-(4-Bromophenyl)-L-cysteine", + "names": [ + "S-(4-Bromophenyl)-L-cysteine" + ] + }, + { + "compound_id": "C03901", + "inchi": "InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)", + "name": "Thiomorpholine 3-carboxylate", + "names": [ + "Thiomorpholine 3-carboxylate" + ] + }, + { + "compound_id": "C03904", + "inchi": null, + "name": "alpha-N-Peptidyl-L-glutamate", + "names": [ + "alpha-N-Peptidyl-L-glutamate" + ] + }, + { + "compound_id": "C03905", + "inchi": null, + "name": "alpha-N-Peptidyl-L-glutamine", + "names": [ + "alpha-N-Peptidyl-L-glutamine" + ] + }, + { + "compound_id": "C03906", + "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1", + "name": "beta-L-Arabinose 1-phosphate", + "names": [ + "beta-L-Arabinose 1-phosphate" + ] + }, + { + "compound_id": "C03910", + "inchi": "InChI=1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1", + "name": "(24R,24'R)-Fucosterol epoxide", + "names": [ + "(24R,24'R)-Fucosterol epoxide", + "(24R,28R)-Fucosterol epoxide" + ] + }, + { + "compound_id": "C03912", + "inchi": "InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1", + "name": "(S)-1-Pyrroline-5-carboxylate", + "names": [ + "(S)-1-Pyrroline-5-carboxylate", + "1-Pyrroline-5-carboxylate", + "L-1-Pyrroline-5-carboxylate", + "d-1-pyrroline-5-carboxylate", + "dl-d-1-pyrroline-5-carboxylate" + ] + }, + { + "compound_id": "C03914", + "inchi": "InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)/t7-/m0/s1", + "name": "(S)-beta-Methylindolepyruvate", + "names": [ + "(S)-beta-Methylindolepyruvate" + ] + }, + { + "compound_id": "C03916", + "inchi": "InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-", + "name": "1-Oleoylglycerophosphocholine", + "names": [ + "1-Oleoyl-sn-glycero-3-phosphocholine", + "1-Oleoylglycerophosphocholine" + ] + }, + { + "compound_id": "C03917", + "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "Dihydrotestosterone", + "names": [ + "17beta-Hydroxy-5alpha-androstan-3-one", + "17beta-Hydroxyandrostan-3-one", + "Androstanolone", + "Dihydrotestosterone" + ] + }, + { + "compound_id": "C03918", + "inchi": "InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-2+,4-1+", + "name": "2,4-Dichloro-cis,cis-muconate", + "names": [ + "2,4-Dichloro-cis,cis-muconate" + ] + }, + { + "compound_id": "C03920", + "inchi": "InChI=1S/C3H8O3S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H,4,5,6)", + "name": "2-(Methylthio)ethanesulfonate", + "names": [ + "2-(Methylthio)ethanesulfonate", + "Methyl CoM", + "Methylcoenzyme M" + ] + }, + { + "compound_id": "C03921", + "inchi": "InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4-/m0/s1", + "name": "2-Dehydro-3-deoxy-D-glucarate", + "names": [ + "2-Dehydro-3-deoxy-D-glucarate" + ] + }, + { + "compound_id": "C03922", + "inchi": null, + "name": "2-Deoxystreptamine antibiotic", + "names": [ + "2-Deoxystreptamine antibiotic" + ] + }, + { + "compound_id": "C03924", + "inchi": null, + "name": "3'-Phosphooligoribonucleotide", + "names": [ + "3'-Phosphooligoribonucleotide" + ] + }, + { + "compound_id": "C03925", + "inchi": "InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)", + "name": "3,5-Dibromo-4-hydroxybenzoate", + "names": [ + "3,5-Dibromo-4-hydroxybenzoate" + ] + }, + { + "compound_id": "C03926", + "inchi": "InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h4,6-7,9,12H,1-2H2,(H,10,11)/t4-,6+/m1/s1", + "name": "3-Dehydro-2-deoxy-D-gluconate", + "names": [ + "2-deoxy-3-dehydro-d-gluconate", + "3-Dehydro-2-deoxy-D-gluconate" + ] + }, + { + "compound_id": "C03927", + "inchi": "InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)", + "name": "3-Hydroxy-4H-pyrid-4-one", + "names": [ + "3-Hydroxy-4(1H)-pyridinone", + "3-Hydroxy-4H-pyrid-4-one", + "3-Hydroxypyridin-4(1H)-one" + ] + }, + { + "compound_id": "C03928", + "inchi": "InChI=1S/C13H24N3O11PS/c14-8(13(22)26-4-7(17)5-27-28(23,24)25)1-2-10(18)16-9(6-29)12(21)15-3-11(19)20/h7-9,17,29H,1-6,14H2,(H,15,21)(H,16,18)(H,19,20)(H2,23,24,25)/t7?,8-,9-/m0/s1", + "name": "3-Phosphoglycerol-glutathione", + "names": [ + "3-Phosphoglycerol-glutathione" + ] + }, + { + "compound_id": "C03929", + "inchi": "InChI=1S/C11H16O2/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,12-13H,1-4H3", + "name": "3-tert-Butyl-5-methylcatechol", + "names": [ + "3-tert-Butyl-5-methylcatechol" + ] + }, + { + "compound_id": "C03930", + "inchi": "InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,23+,26+,27-,28-,29+,30+/m0/s1", + "name": "3alpha-Hydroxyglycyrrhetinate", + "names": [ + "3alpha-Hydroxyglycyrrhetinate" + ] + }, + { + "compound_id": "C03933", + "inchi": null, + "name": "5-D-Glutamyl-D-glutamyl-peptide", + "names": [ + "5-D-Glutamyl-D-glutamyl-peptide", + "gamma-D-Glutamyl-D-glutamyl-peptide" + ] + }, + { + "compound_id": "C03935", + "inchi": "InChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1", + "name": "6beta-Hydroxyestradiol-17beta", + "names": [ + "6beta-Hydroxyestradiol-17beta" + ] + }, + { + "compound_id": "C03939", + "inchi": null, + "name": "Acetyl-[acyl-carrier protein]", + "names": [ + "Acetyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C03940", + "inchi": null, + "name": "Anthocyanidin-3-O-beta-D-glucoside", + "names": [ + "Anthocyanidin-3-O-D-glucoside", + "Anthocyanidin-3-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C03941", + "inchi": null, + "name": "Calmodulin N6-methyl-L-lysine", + "names": [ + "Calmodulin N6-methyl-L-lysine" + ] + }, + { + "compound_id": "C03942", + "inchi": null, + "name": "D-Galactosylglycosaminoglycan", + "names": [ + "D-Galactosylglycosaminoglycan" + ] + }, + { + "compound_id": "C03943", + "inchi": "InChI=1S/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)/t3-,4+/m0/s1", + "name": "(2R,4S)-2,4-Diaminopentanoate", + "names": [ + "(2R,4S)-2,4-Diaminopentanoate", + "2,4-Diaminopentanoate", + "D-threo-2,4-Diaminopentanoate" + ] + }, + { + "compound_id": "C03944", + "inchi": "InChI=1/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3/t9-,19+/m0/s1", + "name": "Dihydro-O-methylsterigmatocystin", + "names": [ + "Dihydro-O-methylsterigmatocystin" + ] + }, + { + "compound_id": "C03946", + "inchi": "InChI=1S/C21H20O8/c22-10-14-16(24)17(25)18(26)21(28-14)29-20-15(23)12-8-4-5-9-13(12)27-19(20)11-6-2-1-3-7-11/h1-9,14,16-18,21-22,24-26H,10H2/t14-,16-,17+,18-,21+/m1/s1", + "name": "Flavonol 3-O-beta-D-glucoside", + "names": [ + "Flavonol 3-O-D-glucoside", + "Flavonol 3-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C03947", + "inchi": "InChI=1S/C3H7O5P/c4-1-3-2-7-9(5,6)8-3/h3-4H,1-2H2,(H,5,6)", + "name": "Glycerol 1,2-cyclic phosphate", + "names": [ + "1,3,2-Dioxaphospholane-4-methanol", + "Glycerol 1,2-cyclic phosphate" + ] + }, + { + "compound_id": "C03948", + "inchi": "InChI=1S/C8H13NO7/c10-1-3-6(13)7(14)5(8(15)16-3)9-4(12)2-11/h3,5-7,10-11,13-14H,1-2H2,(H,9,12)/t3-,5+,6-,7-/m1/s1", + "name": "N-Glycolyl-D-mannosaminolactone", + "names": [ + "Glycolyl-D-mannosaminolactone", + "N-Glycolyl-D-mannosaminolactone" + ] + }, + { + "compound_id": "C03951", + "inchi": "InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1", + "name": "Luteolin 7-O-beta-D-glucoside", + "names": [ + "7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone", + "Luteolin 7-O-beta-D-glucoside", + "Luteolin 7-O-glucoside" + ] + }, + { + "compound_id": "C03953", + "inchi": "InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1", + "name": "N-Acetylglucosamine 4-sulfate", + "names": [ + "N-Acetyl-D-glucosamine 4-sulfate", + "N-Acetylglucosamine 4-sulfate" + ] + }, + { + "compound_id": "C03954", + "inchi": "InChI=1S/C15H13NO2/c1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,18H,8H2,1H3", + "name": "N-Hydroxy-2-acetamidofluorene", + "names": [ + "N-Hydroxy-2-acetamidofluorene" + ] + }, + { + "compound_id": "C03955", + "inchi": "InChI=1S/C8H16N2O4/c1-6(11)10(14)5-3-2-4-7(9)8(12)13/h7,14H,2-5,9H2,1H3,(H,12,13)/t7-/m0/s1", + "name": "N6-Acetyl-N6-hydroxy-L-lysine", + "names": [ + "N6-Acetyl-N6-hydroxy-L-lysine", + "N6-Acetyl-N6-hydroxylysine" + ] + }, + { + "compound_id": "C03956", + "inchi": null, + "name": "Oligoglycosylglucosylceramide", + "names": [ + "Oligoglycosylglucosylceramide" + ] + }, + { + "compound_id": "C03957", + "inchi": null, + "name": "Peptide 3-hydroxy-L-aspartate", + "names": [ + "Peptide 3-hydroxy-L-aspartate" + ] + }, + { + "compound_id": "C03958", + "inchi": "InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1", + "name": "Thyrotropin-releasing hormone", + "names": [ + "Protirelin", + "TRH", + "Thyroliberin", + "Thyrotropin-releasing hormone" + ] + }, + { + "compound_id": "C03959", + "inchi": null, + "name": "[DNA-directed RNA polymerase]", + "names": [ + "[DNA-directed RNA polymerase]", + "[RNA polymerase]" + ] + }, + { + "compound_id": "C03961", + "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1", + "name": "erythro-3-Hydroxy-Ls-aspartate", + "names": [ + "erythro-3-Hydroxy-L-aspartate", + "erythro-3-Hydroxy-L-aspartic acid", + "erythro-3-Hydroxy-Ls-aspartate", + "erythro-3-Hydroxy-Ls-aspartic acid" + ] + }, + { + "compound_id": "C03962", + "inchi": "InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16?/m1/s1", + "name": "(-)-Menthyl O-beta-D-glucoside", + "names": [ + "(-)-Menthyl O-beta-D-glucoside" + ] + }, + { + "compound_id": "C03963", + "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", + "name": "Sarsasapogenin", + "names": [ + "(25S)-5beta-Spirostan-3beta-ol", + "Sarsasapogenin" + ] + }, + { + "compound_id": "C03964", + "inchi": "InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1", + "name": "(R)-3-(4-Hydroxyphenyl)lactate", + "names": [ + "(R)-3-(4-Hydroxyphenyl)lactate" + ] + }, + { + "compound_id": "C03968", + "inchi": null, + "name": "1-Alkyl-sn-glycero-3-phosphate", + "names": [ + "1-Alkyl-sn-glycero-3-phosphate", + "1-Alkyl-sn-glycerol 3-phosphate", + "1-O-Alkyl-sn-glycerol 3-phosphate" + ] + }, + { + "compound_id": "C03969", + "inchi": "InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)", + "name": "1-Aminocyclopentanecarboxylate", + "names": [ + "1-Aminocyclopentanecarboxylate", + "1-Aminocyclopentanecarboxylic acid", + "Cycloleucine" + ] + }, + { + "compound_id": "C03972", + "inchi": "InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m0/s1", + "name": "2,3,4,5-Tetrahydrodipicolinate", + "names": [ + "(S)-2,3,4,5-Tetrahydropyridine-2,6-dicarboxylate", + "2,3,4,5-Tetrahydrodipicolinate", + "L-2,3,4,5-Tetrahydrodipicolinate", + "delta1-Piperidine-2,6-dicarboxylate" + ] + }, + { + "compound_id": "C03974", + "inchi": null, + "name": "2-Acyl-sn-glycerol 3-phosphate", + "names": [ + "2-Acyl-sn-glycerol 3-phosphate" + ] + }, + { + "compound_id": "C03975", + "inchi": "InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)", + "name": "Isoxanthopterin", + "names": [ + "2-Amino-4,7-dihydroxypteridine", + "Isoxanthopterin" + ] + }, + { + "compound_id": "C03979", + "inchi": "InChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4+/m0/s1", + "name": "2-Dehydro-3-deoxy-L-rhamnonate", + "names": [ + "2-Dehydro-3-deoxy-L-rhamnonate" + ] + }, + { + "compound_id": "C03980", + "inchi": "InChI=1S/C6H15N2O6P/c7-2-1-3(8)6(5(10)4(2)9)14-15(11,12)13/h2-6,9-10H,1,7-8H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1", + "name": "2-Deoxystreptamine 4-phosphate", + "names": [ + "2-Deoxystreptamine 4-phosphate" + ] + }, + { + "compound_id": "C03981", + "inchi": "InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-", + "name": "2-Hydroxyethylenedicarboxylate", + "names": [ + "2-Hydroxybut-2-enedioic acid", + "2-Hydroxyethylenedicarboxylate", + "enol-Oxaloacetate", + "enol-Oxaloacetic acid" + ] + }, + { + "compound_id": "C03982", + "inchi": "InChI=1S/C5H11NO/c1-5(2)4-6-7-3/h4-5H,1-3H3/b6-4+", + "name": "2-Methylpropanal O-methyloxime", + "names": [ + "2-Methylpropanal O-methyloxime", + "Isobutyraldoxime O-methyl ether" + ] + }, + { + "compound_id": "C03983", + "inchi": null, + "name": "3'-Hydroxyloligoribonucleotide", + "names": [ + "3'-Hydroxyloligoribonucleotide" + ] + }, + { + "compound_id": "C03985", + "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3", + "name": "3,7-Dimethylocta-1,6-dien-3-ol", + "names": [ + "3,7-Dimethylocta-1,6-dien-3-ol", + "Linalool" + ] + }, + { + "compound_id": "C03986", + "inchi": "InChI=1S/C8H9NO3/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3,10H,9H2,1H3,(H,11,12)", + "name": "3-Hydroxy-4-methylanthranilate", + "names": [ + "3-Hydroxy-4-methylanthranilate" + ] + }, + { + "compound_id": "C03987", + "inchi": "InChI=1S/C9H7IO4/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,11H,4H2,(H,13,14)", + "name": "3-Iodo-4-hydroxyphenylpyruvate", + "names": [ + "3-Iodo-4-hydroxyphenylpyruvate" + ] + }, + { + "compound_id": "C03989", + "inchi": "InChI=1S/C24H42O21/c25-1-6-10(29)14(33)17(36)21(40-6)39-4-9-12(31)16(35)19(38)23(42-9)45-24(5-28)20(13(32)8(3-27)44-24)43-22-18(37)15(34)11(30)7(2-26)41-22/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20?,21+,22?,23-,24+/m1/s1", + "name": "Isolychnose", + "names": [ + "3F-alpha-D-Galactosylraffinose", + "Isolychnose" + ] + }, + { + "compound_id": "C03990", + "inchi": "InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1", + "name": "Lithocholic acid", + "names": [ + "3alpha-Hydroxy-5beta-cholanate", + "3alpha-Hydroxy-5beta-cholanic acid", + "Lithocholate", + "Lithocholic acid" + ] + }, + { + "compound_id": "C03993", + "inchi": "InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1", + "name": "4-(beta-D-Glucosyloxy)benzoate", + "names": [ + "4-(beta-D-Glucosyloxy)benzoate", + "4-Hydroxybenzoate-O-glucoside" + ] + }, + { + "compound_id": "C03994", + "inchi": "InChI=1S/C7H10N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-4,9-10H,5,8H2", + "name": "4-Hydroxymethylphenylhydrazine", + "names": [ + "4-Hydroxymethylphenylhydrazine" + ] + }, + { + "compound_id": "C03995", + "inchi": "InChI=1/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1", + "name": "4-Nitrophenyl-3-ketovalidamine", + "names": [ + "4-Nitrophenyl-3-ketovalidamine" + ] + }, + { + "compound_id": "C03996", + "inchi": "InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1", + "name": "5'-O-beta-D-Glucosylpyridoxine", + "names": [ + "5'-O-beta-D-Glucosylpyridoxine" + ] + }, + { + "compound_id": "C03997", + "inchi": "InChI=1S/C10H16N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1", + "name": "5-Hydroxymethyldeoxycytidylate", + "names": [ + "2'-Deoxy-5-hydroxymethylcytidine 5'-phosphate", + "5-Hydroxymethyldeoxycytidylate", + "5-Hydroxymethyldeoxycytidylic acid" + ] + }, + { + "compound_id": "C03998", + "inchi": "InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1", + "name": "7-Methylguanosine 5'-phosphate", + "names": [ + "7-Methylguanosine 5'-phosphate" + ] + }, + { + "compound_id": "C03999", + "inchi": "InChI=1S/C6H14NO7P/c1-4(7)6(9)14-5(2-8)3-13-15(10,11)12/h4-5,8H,2-3,7H2,1H3,(H2,10,11,12)/t4-,5+/m1/s1", + "name": "Alanyl-poly(glycerolphosphate)", + "names": [ + "(D-Ala1->2Gro-1-P)n", + "Alanyl-poly(glycerolphosphate)" + ] + }, + { + "compound_id": "C04000", + "inchi": "InChI=1S/C12H14O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3", + "name": "Benzyl 2-methyl-3-oxobutanoate", + "names": [ + "Benzyl 2-methyl-3-oxobutanoate" + ] + }, + { + "compound_id": "C04001", + "inchi": null, + "name": "Blood coagulation Factor VIIIa", + "names": [ + "Blood coagulation Factor VIIIa" + ] + }, + { + "compound_id": "C04002", + "inchi": "InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3-", + "name": "(Z)-But-1-ene-1,2,4-tricarboxylate", + "names": [ + "(Z)-1,2,4-But-1-enetricarboxylic acid", + "(Z)-But-1-ene-1,2,4-tricarboxylate", + "Homo-cis-aconitate", + "cis-Homoaconitate" + ] + }, + { + "compound_id": "C04006", + "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1", + "name": "1D-myo-Inositol 3-phosphate", + "names": [ + "1D-myo-Inositol 3-monophosphate", + "1D-myo-Inositol 3-phosphate", + "1L-myo-Inositol 1-phosphate", + "D-myo-Inositol 3-monophosphate", + "D-myo-Inositol 3-phosphate", + "Inositol 3-monophosphate", + "Inositol 3-phosphate", + "L-myo-Inositol 1-phosphate", + "myo-Inositol 3-monophosphate", + "myo-Inositol 3-phosphate" + ] + }, + { + "compound_id": "C04007", + "inchi": "InChI=1S/C21H22O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-8,15,17-22,24-26H,9-10H2/t15?,17-,18-,19+,20-,21-/m1/s1", + "name": "Flavanone 7-O-beta-D-glucoside", + "names": [ + "Flavanone 7-O-beta-D-glucoside", + "Flavanone 7-O-glucoside" + ] + }, + { + "compound_id": "C04010", + "inchi": null, + "name": "Glycoprotein phospho-D-mannose", + "names": [ + "Glycoprotein phospho-D-mannose" + ] + }, + { + "compound_id": "C04013", + "inchi": null, + "name": "Multi-methyl-branched acyl-CoA", + "names": [ + "Multi-methyl-branched acyl-CoA" + ] + }, + { + "compound_id": "C04015", + "inchi": "InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13+/m1/s1", + "name": "N-Acetyl-4-O-acetylneuraminate", + "names": [ + "N,4-O-Diacetylneuraminate", + "N-Acetyl-4-O-acetylneuraminate" + ] + }, + { + "compound_id": "C04016", + "inchi": "InChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1", + "name": "N-Acetyl-7-O-acetylneuraminate", + "names": [ + "N,7-O-Diacetylneuraminate", + "N-Acetyl-7-O-acetylneuraminate" + ] + }, + { + "compound_id": "C04017", + "inchi": "InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13-/m0/s1", + "name": "N-Acetyl-9-O-acetylneuraminate", + "names": [ + "N,9-O-Diacetylneuraminate", + "N-Acetyl-9-O-acetylneuraminate" + ] + }, + { + "compound_id": "C04018", + "inchi": null, + "name": "N-Acetyl-D-galactosaminoglycan", + "names": [ + "N-Acetyl-D-galactosaminoglycan" + ] + }, + { + "compound_id": "C04019", + "inchi": null, + "name": "N-Acetyl-alpha-D-glucosaminide", + "names": [ + "N-Acetyl-alpha-D-glucosaminide" + ] + }, + { + "compound_id": "C04020", + "inchi": "InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6?,7-/m0/s1", + "name": "D-Lysopine", + "names": [ + "D-Lysopine", + "Lysopine", + "N2-(D-1-Carboxyethyl)-L-lysine" + ] + }, + { + "compound_id": "C04021", + "inchi": null, + "name": "Phosphatidylinositol phosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-inositol-4'-phosphate)", + "Phosphatidylinositol phosphate" + ] + }, + { + "compound_id": "C04022", + "inchi": "InChI=1S/C5H10O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3", + "name": "S,S-Dimethyl-beta-propiothetin", + "names": [ + "DMPT", + "DMSP", + "Dimethylpropiothetin", + "S,S-Dimethyl-beta-propiothetin", + "S-Dimethylsulfonium propionic acid" + ] + }, + { + "compound_id": "C04024", + "inchi": "InChI=1S/C27H30O15/c28-7-15-20(35)22(37)26(42-27-23(38)21(36)19(34)16(8-29)41-27)25(40-15)18-12(32)5-11(31)17-13(33)6-14(39-24(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-23,25-32,34-38H,7-8H2/t15-,16-,19-,20-,21+,22+,23-,25+,26?,27?/m1/s1", + "name": "Vitexin 2''-O-beta-D-glucoside", + "names": [ + "2''-O-Glucosylvitexin", + "Flavosativaside", + "Vitexin 2''-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C04025", + "inchi": "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)", + "name": "alpha,omega-Dicarboxylic acid", + "names": [ + "alpha,omega-Dicarboxylic acid" + ] + }, + { + "compound_id": "C04026", + "inchi": null, + "name": "alpha-N-Substituted L-arginine", + "names": [ + "alpha-N-Substituted L-arginine" + ] + }, + { + "compound_id": "C04030", + "inchi": "InChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t9-,12-,13-,16-/m1/s1", + "name": "(2,3-Dihydroxybenzoyl)adenylate", + "names": [ + "(2,3-Dihydroxybenzoyl)adenylate" + ] + }, + { + "compound_id": "C04031", + "inchi": null, + "name": "(3S)-3-Hydroxyacyl-hydrolipoate", + "names": [ + "(3S)-3-Hydroxyacyl-hydrolipoate" + ] + }, + { + "compound_id": "C04033", + "inchi": "InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H", + "name": "1,3,6,8-Naphthalenetetrol", + "names": [ + "1,3,6,8-Naphthalenetetrol", + "1,3,6,8-Tetrahydroxynaphthalene" + ] + }, + { + "compound_id": "C04034", + "inchi": "InChI=1S/C24H42O21/c25-1-5-9(27)13(31)16(34)22(42-5)39-3-7-11(29)15(33)18(36)24(44-7)45-20-12(30)8(41-21(38)19(20)37)4-40-23-17(35)14(32)10(28)6(2-26)43-23/h5-38H,1-4H2/t5-,6-,7-,8-,9+,10+,11+,12+,13+,14+,15+,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1", + "name": "1,6-beta-D-Galactosylgalactogen", + "names": [ + "1,6-beta-D-Galactosylgalactogen" + ] + }, + { + "compound_id": "C04036", + "inchi": "InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)", + "name": "1-Palmitoylglycerol 3-phosphate", + "names": [ + "1-Hexadecanoyl-sn-glycero-3-phosphate", + "1-Palmitoylglycerol 3-phosphate" + ] + }, + { + "compound_id": "C04037", + "inchi": "InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1", + "name": "1-Phospho-alpha-D-galacturonate", + "names": [ + "1-Phospho-alpha-D-galacturonate", + "D-Galacturonate 1-phosphate" + ] + }, + { + "compound_id": "C04039", + "inchi": "InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)", + "name": "2,3-Dihydroxy-3-methylbutanoate", + "names": [ + "2,3-Dihydroxy-3-methylbutanoate", + "2,3-Dihydroxy-isovalerate", + "2,3-Dihydroxy-isovaleric acid", + "alpha,beta-Dihydroxy-isovalerate" + ] + }, + { + "compound_id": "C04042", + "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "20alpha-Hydroxy-4-pregnen-3-one", + "names": [ + "(S)-20-Hydroxypregn-4-en-3-one", + "20alpha-Hydroxy-4-pregnen-3-one", + "20alpha-Hydroxypregn-4-en-3-one", + "20alpha-Hydroxyprogesterone" + ] + }, + { + "compound_id": "C04043", + "inchi": "InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2", + "name": "3,4-Dihydroxyphenylacetaldehyde", + "names": [ + "3,4-Dihydroxyphenylacetaldehyde", + "Protocatechuatealdehyde" + ] + }, + { + "compound_id": "C04044", + "inchi": "InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)", + "name": "3-(2,3-Dihydroxyphenyl)propanoate", + "names": [ + "2,3-Dihydroxyphenylpropanoate", + "3-(2,3-Dihydroxyphenyl)propanoate" + ] + }, + { + "compound_id": "C04045", + "inchi": "InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)", + "name": "3-(3,4-Dihydroxyphenyl)pyruvate", + "names": [ + "3,4-Dihydroxyphenylpyruvate", + "3-(3,4-Dihydroxyphenyl)pyruvate" + ] + }, + { + "compound_id": "C04046", + "inchi": null, + "name": "3-D-Glucosyl-1,2-diacylglycerol", + "names": [ + "1,2-Diacyl-3-beta-D-glucosyl-sn-glycerol", + "3-D-Glucosyl-1,2-diacylglycerol", + "Glcbeta1->3acyl2Gro", + "Monoglucosyl-diacylglycerol", + "Monoglucosyldiglyceride" + ] + }, + { + "compound_id": "C04047", + "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,17-,18-,19?,23-/m1/s1", + "name": "3-Hydroxy-2-methylpropanoyl-CoA", + "names": [ + "3-Hydroxy-2-methylpropanoyl-CoA", + "3-Hydroxy-2-methylpropionyl-CoA", + "3-Hydroxyisobutyryl coenzyme A", + "3-Hydroxyisobutyryl-CoA" + ] + }, + { + "compound_id": "C04049", + "inchi": "InChI=1S/C7H10O6/c1-7(13,3-5(9)10)2-4(8)6(11)12/h13H,2-3H2,1H3,(H,9,10)(H,11,12)", + "name": "4-Hydroxy-4-methyl-2-oxoadipate", + "names": [ + "4-Hydroxy-4-methyl-2-oxoadipate" + ] + }, + { + "compound_id": "C04050", + "inchi": "InChI=1S/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,10,12H", + "name": "4-Hydroxyaminoquinoline N-oxide", + "names": [ + "4-Hydroxyaminoquinoline N-oxide" + ] + }, + { + "compound_id": "C04051", + "inchi": "InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)", + "name": "5-Amino-4-imidazolecarboxyamide", + "names": [ + "5-Amino-4-imidazolecarboxyamide" + ] + }, + { + "compound_id": "C04052", + "inchi": "InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/b2-1-", + "name": "5-Carboxy-2-oxohept-3-enedioate", + "names": [ + "5-Carboxy-2-oxohept-3-enedioate", + "5-Oxopent-3-ene-1,2,5-tricarboxylate" + ] + }, + { + "compound_id": "C04053", + "inchi": "InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1", + "name": "5-Dehydro-4-deoxy-D-glucuronate", + "names": [ + "4-Deoxy-L-threo-5-hexosulose uronate", + "5-Dehydro-4-deoxy-D-glucuronate" + ] + }, + { + "compound_id": "C04054", + "inchi": "InChI=1S/C60H86N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);/q;+1/p-1/t28?,32-,33-,34-,35+,39-,50?,51-,54?,55+,57-,58+,59+,60+;/m1./s1", + "name": "5-Hydroxybenzimidazolylcob(I)amide", + "names": [ + "5-Hydroxybenzimidazolylcob(I)amide" + ] + }, + { + "compound_id": "C04056", + "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-", + "name": "9-cis,11-trans-Octadecadienoate", + "names": [ + "(9Z,11E)-Octadecadienoic acid", + "9-cis,11-trans-Octadecadienoate" + ] + }, + { + "compound_id": "C04058", + "inchi": "InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1", + "name": "Bis(5'-adenosyl) pentaphosphate", + "names": [ + "Bis(5'-adenosyl) pentaphosphate", + "P1,P5-Bis(5'-adenosyl) pentaphosphate" + ] + }, + { + "compound_id": "C04061", + "inchi": null, + "name": "Cytochrome c N6-methyl-L-lysine", + "names": [ + "Cytochrome c N6-methyl-L-lysine" + ] + }, + { + "compound_id": "C04062", + "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6-", + "name": "D-myo-Inositol 1,3-bisphosphate", + "names": [ + "1D-myo-Inositol 1,3-bisphosphate", + "D-myo-Inositol 1,3-bisphosphate", + "Inositol 1,3-bisphosphate", + "myo-Inositol 1,3-bisphosphate" + ] + }, + { + "compound_id": "C04063", + "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1", + "name": "D-myo-Inositol 3,4-bisphosphate", + "names": [ + "1D-myo-Inositol 3,4-bisphosphate", + "D-myo-Inositol 3,4-bisphosphate", + "Inositol 3,4-bisphosphate" + ] + }, + { + "compound_id": "C04064", + "inchi": "InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1", + "name": "D-myo-Inositol 4,5-bisphosphate", + "names": [ + "D-myo-Inositol 4,5-bisphosphate" + ] + }, + { + "compound_id": "C04067", + "inchi": "InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3", + "name": "Diethyl 2-methyl-3-oxosuccinate", + "names": [ + "Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester", + "Diethyl 2-methyl-3-oxosuccinate", + "Diethyl oxalpropionate" + ] + }, + { + "compound_id": "C04068", + "inchi": "InChI=1S/C26H28O12/c27-14-10-34-25(21(32)18(14)29)35-11-16-19(30)20(31)22(33)26(37-16)38-24-17(28)13-8-4-5-9-15(13)36-23(24)12-6-2-1-3-7-12/h1-9,14,16,18-22,25-27,29-33H,10-11H2/t14-,16-,18+,19-,20+,21-,22-,25+,26+/m1/s1", + "name": "Flavonol 3-O-D-xylosylglucoside", + "names": [ + "Flavonol 3-O-D-xylosylglucoside" + ] + }, + { + "compound_id": "C04069", + "inchi": "InChI=1S/C26H28O12/c27-10-16-19(31)20(32)24(38-25-21(33)18(30)14(28)11-34-25)26(36-16)37-23-17(29)13-8-4-5-9-15(13)35-22(23)12-6-2-1-3-7-12/h1-9,14,16,18-21,24-28,30-33H,10-11H2/t14-,16-,18+,19?,20+,21-,24?,25?,26+/m1/s1", + "name": "Flavonol 3-O-D-xylosylglycoside", + "names": [ + "Flavonol 3-O-D-xylosylglycoside", + "Flavonol 3-O-[D-xylosyl-(1->2)-beta-D-glycoside]", + "Flavonol 3-[beta-D-xylosyl-(1->2)-beta-D-glycoside]" + ] + }, + { + "compound_id": "C04070", + "inchi": "InChI=1S/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1", + "name": "Gibberellin 2-O-beta-D-glucoside", + "names": [ + "Gibberellin 2-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C04071", + "inchi": "InChI=1S/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)", + "name": "Guanidinoethyl methyl phosphate", + "names": [ + "Guanidinoethyl methyl phosphate" + ] + }, + { + "compound_id": "C04072", + "inchi": null, + "name": "Heparin-glucosamine 3-O-sulfate", + "names": [ + "Heparin-glucosamine 3-O-sulfate" + ] + }, + { + "compound_id": "C04073", + "inchi": null, + "name": "Heparosan-N-sulfate L-iduronate", + "names": [ + "Heparosan-N-sulfate L-iduronate" + ] + }, + { + "compound_id": "C04074", + "inchi": "InChI=1S/C21H20O8/c22-9-16-18(24)19(25)20(26)21(29-16)28-12-6-7-13-15(8-12)27-10-14(17(13)23)11-4-2-1-3-5-11/h1-8,10,16,18-22,24-26H,9H2/t16-,18-,19+,20-,21-/m1/s1", + "name": "Isoflavone 7-O-beta-D-glucoside", + "names": [ + "Isoflavone 7-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C04075", + "inchi": "InChI=1S/C5H8ClNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1", + "name": "2-Amino-4-chloro-4-pentenoic acid", + "names": [ + "(S)-2-Amino-4-chloro-4-pentenoic acid", + "2-Amino-4-chloro-4-pentenoic acid", + "L-2-Amino-4-chloropent-4-enoate" + ] + }, + { + "compound_id": "C04076", + "inchi": "InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1", + "name": "L-2-Aminoadipate 6-semialdehyde", + "names": [ + "(S)-2-Amino-6-oxohexanoate", + "2-Aminoadipate 6-semialdehyde", + "Allysine", + "L-2-Aminoadipate 6-semialdehyde", + "L-Allysine" + ] + }, + { + "compound_id": "C04078", + "inchi": "InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1", + "name": "Methylmethionine sulfonium salt", + "names": [ + "Methylmethionine sulfonium chloride", + "Methylmethionine sulfonium salt", + "Vitamin U" + ] + }, + { + "compound_id": "C04079", + "inchi": "InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1", + "name": "N-((R)-Pantothenoyl)-L-cysteine", + "names": [ + "D-Pantothenoyl-L-cysteine", + "N-((R)-Pantothenoyl)-L-cysteine", + "N-Pantothenoylcysteine" + ] + }, + { + "compound_id": "C04080", + "inchi": null, + "name": "N-(Long-chain-acyl)ethanolamine", + "names": [ + "N-(Long-chain-acyl)ethanolamine" + ] + }, + { + "compound_id": "C04081", + "inchi": "InChI=1S/C14H13NO2/c1-11(16)15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,17H,1H3", + "name": "N-Hydroxy-4-acetylaminobiphenyl", + "names": [ + "N-Hydroxy-4-acetylaminobiphenyl" + ] + }, + { + "compound_id": "C04083", + "inchi": "InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)", + "name": "N6-(delta2-Isopentenyl)-adenine", + "names": [ + "6-(gamma,gamma-Dimethylallylamino)purine", + "N6-(3-Methylbut-2-enyl)adenine", + "N6-(delta2-Isopentenyl)-adenine", + "N6-Dimethylallyladenine" + ] + }, + { + "compound_id": "C04084", + "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,12,16-18H,4-8,10-11H2,1-3H3/t16?,17?,18?,20-,21+/m0/s1", + "name": "Pregna-4,9(11)-diene-3,20-dione", + "names": [ + "Pregna-4,9(11)-diene-3,20-dione" + ] + }, + { + "compound_id": "C04087", + "inchi": null, + "name": "Protein N(tau)-methyl-L-histidine", + "names": [ + "Protein N(tau)-methyl-L-histidine", + "Protein N-tele-methyl-L-histidine" + ] + }, + { + "compound_id": "C04088", + "inchi": null, + "name": "Octadecanoyl-[acyl-carrier protein]", + "names": [ + "Octadecanoyl-[acyl-carrier protein]", + "Stearoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04089", + "inchi": "InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1", + "name": "UDP-4-dehydro-6-deoxy-D-glucose", + "names": [ + "UDP-4-dehydro-6-deoxy-D-glucose", + "UDP-4-keto-6-deoxy-D-glucose", + "UDP-4-oxo-6-deoxy-D-glucose" + ] + }, + { + "compound_id": "C04090", + "inchi": null, + "name": "Ubiquitin C-terminal thiolester", + "names": [ + "Ubiquitin C-terminal thiolester" + ] + }, + { + "compound_id": "C04091", + "inchi": "InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6+", + "name": "cis-1,2-Dihydrobenzene-1,2-diol", + "names": [ + "cis-1,2-Dihydrobenzene-1,2-diol", + "cis-Benzeneglycol", + "cis-Cyclohexa-3,5-diene-1,2-diol" + ] + }, + { + "compound_id": "C04092", + "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)", + "name": "delta1-Piperideine-2-carboxylate", + "names": [ + "1,2-Didehydropiperidine-2-carboxylate", + "d-1-Piperidine-2-carboxylate", + "d-1-piperidine-2-carboxylate", + "delta1-Piperideine-2-carboxylate" + ] + }, + { + "compound_id": "C04093", + "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7-", + "name": "poly-cis-Polyprenyl diphosphate", + "names": [ + "poly-cis-Polyprenyl diphosphate" + ] + }, + { + "compound_id": "C04097", + "inchi": null, + "name": "2-alpha-D-Mannosylheteroglycan", + "names": [ + "2-alpha-D-Mannosyl-heteroglycan", + "2-alpha-D-Mannosylheteroglycan" + ] + }, + { + "compound_id": "C04098", + "inchi": null, + "name": "3-alpha-D-Mannosylheteroglycan", + "names": [ + "3-alpha-D-Mannosyl-heteroglycan", + "3-alpha-D-Mannosylheteroglycan" + ] + }, + { + "compound_id": "C04099", + "inchi": null, + "name": "1,4-alpha-D-Glucooligosaccharide", + "names": [ + "1,4-alpha-D-Glucooligosaccharide" + ] + }, + { + "compound_id": "C04100", + "inchi": "InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/p+1/b10-9-,13-12-", + "name": "1-Linoleoylglycerophosphocholine", + "names": [ + "1-Linoleoyl-sn-glycero-3-phosphocholine", + "1-Linoleoylglycerophosphocholine" + ] + }, + { + "compound_id": "C04101", + "inchi": "InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1", + "name": "1-O,6-O-Digalloyl-beta-D-glucose", + "names": [ + "1-O,6-O-Digalloyl-beta-D-glucose" + ] + }, + { + "compound_id": "C04102", + "inchi": "InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1", + "name": "1-Palmitoylglycerophosphocholine", + "names": [ + "1-Palmitoyl-sn-glycero-3-phosphocholine", + "1-Palmitoylglycerophosphocholine" + ] + }, + { + "compound_id": "C04103", + "inchi": "InChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/t22-,23-,25-,26+,27-,28-/m1/s1", + "name": "13-beta-D-Glucosyloxydocosanoate", + "names": [ + "13-beta-D-Glucosyloxydocosanoate" + ] + }, + { + "compound_id": "C04104", + "inchi": "InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)", + "name": "2,3-Dihydroxy-3-methylpentanoate", + "names": [ + "2,3-Dihydroxy-3-methylpentanoate", + "2,3-Dihydroxy-3-methylvalerate" + ] + }, + { + "compound_id": "C04105", + "inchi": "InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)", + "name": "2,5-Dihydro-5-oxofuran-2-acetate", + "names": [ + "2,5-Dihydro-5-oxofuran-2-acetate", + "2-Oxo-2,5-dihydrofuran-5-acetate", + "4-Carboxymethyl-4-hydroxyisocrotonolactone", + "5-Oxo-2,5-dihydrofuran-2-acetate", + "Muconolactone" + ] + }, + { + "compound_id": "C04106", + "inchi": "InChI=1S/C5H8O4/c6-2-1-4(3-7)5(8)9/h2,4,7H,1,3H2,(H,8,9)", + "name": "2-(Hydroxymethyl)-4-oxobutanoate", + "names": [ + "2-(Hydroxymethyl)-4-oxobutanoate", + "2-Hydroxymethyl succinate semialdehyde", + "alpha-Hydroxymethyl succinate semialdehyde" + ] + }, + { + "compound_id": "C04108", + "inchi": "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1", + "name": "20-Hydroxy-3-oxopregn-4-en-21-al", + "names": [ + "20-Hydroxy-3-oxopregn-4-en-21-al" + ] + }, + { + "compound_id": "C04109", + "inchi": "InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H", + "name": "3,3',4',5,7,8-Hexahydroxyflavone", + "names": [ + "3,3',4',5,7,8-Hexahydroxyflavone", + "Gossypetin" + ] + }, + { + "compound_id": "C04110", + "inchi": "InChI=1S/C10H6O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11,13H", + "name": "3,5-Dihydroxy-1,4-naphthoquinone", + "names": [ + "3,5-Dihydroxy-1,4-naphthoquinone" + ] + }, + { + "compound_id": "C04111", + "inchi": "InChI=1S/C5H11N2O7P/c6-3(5(9)10)1-7-4(8)2-14-15(11,12)13/h3H,1-2,6H2,(H,7,8)(H,9,10)(H2,11,12,13)/t3-/m0/s1", + "name": "3-(Phosphoacetylamido)-L-alanine", + "names": [ + "3-(Phosphoacetylamido)-L-alanine" + ] + }, + { + "compound_id": "C04112", + "inchi": "InChI=1S/C7H8O4/c1-5(4-7(10)11)2-3-6(8)9/h2-4H,1H3,(H,8,9)(H,10,11)/b3-2-,5-4-", + "name": "3-Methyl-cis,cis-hexadienedioate", + "names": [ + "3-Methyl-cis,cis-hexadienedioate", + "3-Methyl-cis,cis-muconate" + ] + }, + { + "compound_id": "C04114", + "inchi": "InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+", + "name": "4-(Trimethylammonio)but-2-enoate", + "names": [ + "4-(Trimethylammonio)but-2-enoate" + ] + }, + { + "compound_id": "C04115", + "inchi": "InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)", + "name": "4-Carboxy-4-hydroxy-2-oxoadipate", + "names": [ + "2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate", + "4-Carboxy-4-hydroxy-2-oxoadipate", + "4-Hydroxy-4-carboxymethyl-2-oxoglutarate" + ] + }, + { + "compound_id": "C04116", + "inchi": null, + "name": "4-Substituted phenylacetonitrile", + "names": [ + "4-Substituted phenylacetonitrile" + ] + }, + { + "compound_id": "C04117", + "inchi": null, + "name": "5'-Phospho-RNA 3'-mononucleotide", + "names": [ + "5'-Phospho-RNA 3'-mononucleotide" + ] + }, + { + "compound_id": "C04118", + "inchi": "InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1", + "name": "5,8,13,13a-Tetrahydrocolumbamine", + "names": [ + "(13aS)-5,8,13,13a-Tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol", + "(S)-Tetrahydrocolumbamine", + "5,8,13,13a-Tetrahydrocolumbamine", + "Isocorypalmine" + ] + }, + { + "compound_id": "C04121", + "inchi": "InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10+,11-,12-,13-,14-,17-/m1/s1", + "name": "CMP-3-deoxy-D-manno-octulosonate", + "names": [ + "CMP-3-deoxy-D-manno-octulosonate", + "CMP-KDO" + ] + }, + { + "compound_id": "C04122", + "inchi": "InChI=1S/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1", + "name": "D-1-Aminopropan-2-ol O-phosphate", + "names": [ + "(R)-1-Aminopropan-2-yl phosphate", + "D-1-Aminopropan-2-ol O-phosphate" + ] + }, + { + "compound_id": "C04125", + "inchi": null, + "name": "[Isocitrate dehydrogenase (NADP+)]", + "names": [ + "[Isocitrate dehydrogenase (NADP+)]" + ] + }, + { + "compound_id": "C04126", + "inchi": "InChI=1S/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1", + "name": "L-1-Aminopropan-2-ol O-phosphate", + "names": [ + "(S)-1-Aminopropan-2-yl phosphate", + "L-1-Aminopropan-2-ol O-phosphate" + ] + }, + { + "compound_id": "C04128", + "inchi": null, + "name": "Low-density lipoprotein L-serine", + "names": [ + "Low-density lipoprotein L-serine" + ] + }, + { + "compound_id": "C04130", + "inchi": "InChI=1S/C9H15N3O3/c1-4-5-6-9(12-10,8(14)15-3)11-7(2)13/h4-6H2,1-3H3/p+1", + "name": "Methyl 2-diazoacetamidohexanoate", + "names": [ + "Methyl 2-diazoacetamidohexanoate" + ] + }, + { + "compound_id": "C04131", + "inchi": "InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)", + "name": "Monoamide of a dicarboxylic acid", + "names": [ + "Monoamide of a dicarboxylic acid" + ] + }, + { + "compound_id": "C04132", + "inchi": "InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1", + "name": "N-Acetyl-D-glucosamine 6-sulfate", + "names": [ + "N-Acetyl-D-glucosamine 6-sulfate" + ] + }, + { + "compound_id": "C04133", + "inchi": "InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1", + "name": "N-Acetyl-L-glutamate 5-phosphate", + "names": [ + "N-Acetyl-L-glutamate 5-phosphate", + "N-Acetyl-L-glutamyl 5-phosphate" + ] + }, + { + "compound_id": "C04134", + "inchi": null, + "name": "N-Acetyl-alpha-D-galactosaminide", + "names": [ + "N-Acetyl-alpha-D-galactosaminide" + ] + }, + { + "compound_id": "C04135", + "inchi": null, + "name": "N-Acetyl-beta-D-galactosaminyl-R", + "names": [ + "N-Acetyl-D-galactosaminyl-R", + "N-Acetyl-beta-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04136", + "inchi": null, + "name": "N-Acyl-D-glucosamine 6-phosphate", + "names": [ + "N-Acyl-D-glucosamine 6-phosphate" + ] + }, + { + "compound_id": "C04137", + "inchi": "InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1", + "name": "D-Octopine", + "names": [ + "Arginine, N2-(1-carboxyethyl)-, L-", + "D-(+)-Octopine", + "D-Octopine", + "L-Arginine, N2-(1-carboxyethyl)-, (R)-", + "L-Arginine, N2-[(1R)-1-carboxyethyl]-", + "N2-(1-Carboxyethyl)-L-arginine", + "N2-(D-1-Carboxyethyl)-L-arginine", + "Octopine", + "n-2-(d-1-carboxyethyl)-l-arginine" + ] + }, + { + "compound_id": "C04138", + "inchi": "InChI=1S/C10H16N4O3/c11-8(10(16)17)1-2-9(15)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1", + "name": "N(alpha)-gamma-L-Glutamylhistamine", + "names": [ + "N(alpha)-gamma-L-Glutamylhistamine", + "Nalpha-gamma-L-glutamylhistamine" + ] + }, + { + "compound_id": "C04141", + "inchi": null, + "name": "Phospho-beta-adrenergic receptor", + "names": [ + "Phospho-beta-adrenergic receptor", + "[beta-Adrenergic receptor] phosphate" + ] + }, + { + "compound_id": "C04142", + "inchi": null, + "name": "Protein glutamate methyl ester", + "names": [ + "Protein L-glutamate O5-methyl ester", + "Protein L-glutamate methyl ester", + "Protein glutamate methyl ester" + ] + }, + { + "compound_id": "C04144", + "inchi": "InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1", + "name": "Tetrahydropteroyltri-L-glutamate", + "names": [ + "Tetrahydropteroyltri-L-glutamate" + ] + }, + { + "compound_id": "C04145", + "inchi": "InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+", + "name": "all-trans-Nonaprenyl diphosphate", + "names": [ + "Solanesyl diphosphate", + "Solanesyl pyrophosphate", + "all-trans-Nonaprenyl diphosphate" + ] + }, + { + "compound_id": "C04146", + "inchi": "InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+", + "name": "all-trans-Octaprenyl diphosphate", + "names": [ + "Farnesylfarnesylgeraniol", + "all-trans-Octaprenyl diphosphate" + ] + }, + { + "compound_id": "C04147", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9+,10?,11-,12?/m1/s1", + "name": "alpha-D-Glucosyl-(1,3)-D-mannose", + "names": [ + "alpha-D-Glucosyl-(1,3)-D-mannose" + ] + }, + { + "compound_id": "C04148", + "inchi": "InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1", + "name": "Phenylacetylglutamine", + "names": [ + "N2-(2-Phenylacetyl)-L-glutamine", + "Phenylacetylglutamine", + "alpha-N-Phenylacetyl-L-glutamine" + ] + }, + { + "compound_id": "C04149", + "inchi": null, + "name": "alpha-Tubulin N6-acetyl-L-lysine", + "names": [ + "alpha-Tubulin N6-acetyl-L-lysine" + ] + }, + { + "compound_id": "C04150", + "inchi": "InChI=1S/C56H93O9P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-63-66(61,62)65-56-55(60)54(59)53(58)52(41-57)64-56/h21,23,25,27,29,31,33,35,37,39,52-60H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,61,62)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54+,55+,56+/m1/s1", + "name": "beta-D-Mannosylphosphodecaprenol", + "names": [ + "beta-D-Mannosylphosphodecaprenol" + ] + }, + { + "compound_id": "C04152", + "inchi": null, + "name": "rRNA containing N1-methylguanine", + "names": [ + "rRNA containing N1-methylguanine" + ] + }, + { + "compound_id": "C04153", + "inchi": null, + "name": "rRNA containing N2-methylguanine", + "names": [ + "rRNA containing N2-methylguanine" + ] + }, + { + "compound_id": "C04154", + "inchi": null, + "name": "rRNA containing N6-methyladenine", + "names": [ + "rRNA containing N6-methyladenine", + "rRNA(N6-methyladenine)" + ] + }, + { + "compound_id": "C04155", + "inchi": null, + "name": "tRNA containing 5-methylcytosine", + "names": [ + "tRNA containing 5-methylcytosine" + ] + }, + { + "compound_id": "C04156", + "inchi": null, + "name": "tRNA containing N1-methyladenine", + "names": [ + "tRNA containing N1-methyladenine" + ] + }, + { + "compound_id": "C04157", + "inchi": null, + "name": "tRNA containing N1-methylguanine", + "names": [ + "tRNA containing N1-methylguanine" + ] + }, + { + "compound_id": "C04158", + "inchi": null, + "name": "tRNA containing N2-methylguanine", + "names": [ + "tRNA containing N2-methylguanine" + ] + }, + { + "compound_id": "C04159", + "inchi": null, + "name": "tRNA containing N6-methyladenine", + "names": [ + "tRNA containing N6-methyladenine" + ] + }, + { + "compound_id": "C04160", + "inchi": null, + "name": "tRNA containing N7-methylguanine", + "names": [ + "tRNA containing N7-methylguanine" + ] + }, + { + "compound_id": "C04161", + "inchi": null, + "name": "tRNA containing a thionucleotide", + "names": [ + "tRNA containing a thionucleotide" + ] + }, + { + "compound_id": "C04164", + "inchi": "InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1", + "name": "trans-Cinnamoyl beta-D-glucoside", + "names": [ + "1-O-trans-Cinnamoyl-beta-D-glucopyranose", + "trans-Cinnamoyl beta-D-glucoside" + ] + }, + { + "compound_id": "C04165", + "inchi": "InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11+,12-,13-,14+,15-,16-/m1/s1", + "name": "(+)-Neomenthyl O-beta-D-glucoside", + "names": [ + "(+)-Neomenthyl O-beta-D-glucoside" + ] + }, + { + "compound_id": "C04166", + "inchi": "InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+", + "name": "(+/-)-6-Hydroxy-3-oxo-alpha-ionol", + "names": [ + "(+/-)-6-Hydroxy-3-oxo-alpha-ionol", + "Vomifoliol" + ] + }, + { + "compound_id": "C04167", + "inchi": "InChI=1S/C12H10O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-14H/t11-,12-/m0/s1", + "name": "(+/-)-trans-Acenaphthene-1,2-diol", + "names": [ + "(+/-)-trans-Acenaphthene-1,2-diol" + ] + }, + { + "compound_id": "C04170", + "inchi": "InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/b13-3+/t14?,15?,16-,17+,18-/m0/s1", + "name": "13-(2-Methylcrotonoyl)oxylupanine", + "names": [ + "(+)-13alpha-Tigloyloxylupanine", + "13-(2-Methylcrotonoyl)oxylupanine", + "13-(2-Methylcrotonoyl)oxylupinine" + ] + }, + { + "compound_id": "C04171", + "inchi": "InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m0/s1", + "name": "(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate", + "names": [ + "(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate", + "(2S,3S)-2,3-Dihydroxy-2,3-dihydroxybenzoate" + ] + }, + { + "compound_id": "C04175", + "inchi": "InChI=1S/C5H12O10P2/c6-3-1-5(15-17(10,11)12)14-4(3)2-13-16(7,8)9/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)/t3-,4+,5+/m0/s1", + "name": "2-Deoxy-D-ribose 1,5-bisphosphate", + "names": [ + "2-Deoxy-D-ribose 1,5-bisphosphate" + ] + }, + { + "compound_id": "C04178", + "inchi": "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H", + "name": "Bromoxynil", + "names": [ + "3,5-Dibromo-4-hydroxybenzonitrile", + "Bromoxynil" + ] + }, + { + "compound_id": "C04180", + "inchi": null, + "name": "cis-3-Decenoyl-[acyl-carrier protein]", + "names": [ + "cis-3-Decenoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04181", + "inchi": "InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)", + "name": "3-Hydroxy-3-methyl-2-oxobutanoic acid", + "names": [ + "2-Oxo-3-hydroxyisovalerate", + "3-Hydroxy-3-methyl-2-oxobutanoate", + "3-Hydroxy-3-methyl-2-oxobutanoic acid" + ] + }, + { + "compound_id": "C04185", + "inchi": "InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)", + "name": "5,6-Dihydroxyindole-2-carboxylate", + "names": [ + "5,6-Dihydroxyindole-2-carboxylate", + "DHICA" + ] + }, + { + "compound_id": "C04186", + "inchi": "InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,9H,3H2,(H,10,11)(H,12,13)(H,14,15)/b4-1-,5-2+", + "name": "5-Carboxymethyl-2-hydroxymuconate", + "names": [ + "5-Carboxymethyl-2-hydroxymuconate" + ] + }, + { + "compound_id": "C04187", + "inchi": "InChI=1S/C10H17N3O10P2/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1", + "name": "5-Methyldeoxycytidine diphosphate", + "names": [ + "5-Methyldeoxycytidine diphosphate" + ] + }, + { + "compound_id": "C04188", + "inchi": "InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4-,5-,6-/m1/s1", + "name": "S-Methyl-5-thio-D-ribose 1-phosphate", + "names": [ + "5-methylthio-d-ribose 1-phosphate", + "S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate", + "S-Methyl-5-thio-D-ribose 1-phosphate", + "S-Methyl-5-thio-alpha-D-ribose 1-phosphate" + ] + }, + { + "compound_id": "C04191", + "inchi": "InChI=1S/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7+,8-,9-,10-,11+,12-,13+,14?,15-,16?,17?,18?,21+/m0/s1", + "name": "Dihydrostreptomycin 3''-phosphate", + "names": [ + "Dihydrostreptomycin 3''-phosphate" + ] + }, + { + "compound_id": "C04193", + "inchi": "InChI=1S/C26H28O12/c27-14-10-34-25(21(32)18(14)29)35-11-16-19(30)20(31)22(33)26(37-16)38-24-17(28)13-8-4-5-9-15(13)36-23(24)12-6-2-1-3-7-12/h1-9,14,16,18-22,25-27,29-33H,10-11H2/t14-,16-,18+,19+,20+,21-,22-,25+,26+/m1/s1", + "name": "Flavonol 3-O-D-xylosylgalactoside", + "names": [ + "Flavonol 3-O-D-xylosylgalactoside" + ] + }, + { + "compound_id": "C04194", + "inchi": "InChI=1S/C27H30O12/c1-12-17(28)20(31)22(33)26(36-12)35-11-16-19(30)21(32)23(34)27(38-16)39-25-18(29)14-9-5-6-10-15(14)37-24(25)13-7-3-2-4-8-13/h2-10,12,16-17,19-23,26-28,30-34H,11H2,1H3/t12-,16+,17-,19+,20+,21-,22+,23+,26+,27-/m0/s1", + "name": "Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]", + "names": [ + "Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]", + "Flavonol 3-O-rutinoside" + ] + }, + { + "compound_id": "C04195", + "inchi": null, + "name": "Glycoprotein phosphatidylinositol", + "names": [ + "Glycoprotein phosphatidylinositol" + ] + }, + { + "compound_id": "C04196", + "inchi": null, + "name": "Heparosan-N-sulfate D-glucuronate", + "names": [ + "Heparosan-N-sulfate D-glucuronate" + ] + }, + { + "compound_id": "C04197", + "inchi": "InChI=1S/C16H19NO7/c18-7-11-13(20)14(21)15(22)16(23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2/t11-,13-,14+,15-,16+/m1/s1", + "name": "Indole-3-acetyl-beta-1-D-glucoside", + "names": [ + "1-O-(Indol-3-yl)acetyl-beta-D-glucose", + "Indole-3-acetyl-beta-1-D-glucoside" + ] + }, + { + "compound_id": "C04199", + "inchi": "InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25+,26?,27?/m1/s1", + "name": "Isovitexin 2''-O-beta-D-glucoside", + "names": [ + "Isovitexin 2''-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C04201", + "inchi": "InChI=1S/C10H13NO6S/c1-16-10(12)9(11)6-7-2-4-8(5-3-7)17-18(13,14)15/h2-5,9H,6,11H2,1H3,(H,13,14,15)/t9-/m0/s1", + "name": "L-Tyrosine methyl ester 4-sulfate", + "names": [ + "L-Tyrosine methyl ester 4-sulfate" + ] + }, + { + "compound_id": "C04202", + "inchi": null, + "name": "Long-chain-fatty-acyl ethyl ester", + "names": [ + "Long-chain-fatty-acyl ethyl ester" + ] + }, + { + "compound_id": "C04203", + "inchi": "InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3", + "name": "N,N-Dimethyl-1,4-phenylenediamine", + "names": [ + "N,N-Dimethyl-1,4-phenylenediamine", + "N,N-Dimethyl-p-phenylenediamine", + "p-Amino-N,N-dimethylaniline" + ] + }, + { + "compound_id": "C04204", + "inchi": "InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1", + "name": "N-(2,3-Dihydroxybenzoyl)-L-serine", + "names": [ + "2,3-Dihydroxy-N-benzoyl-L-serine", + "2,3-Dihydroxybenzoylserine", + "N-(2,3-Dihydroxybenzoyl)-L-serine" + ] + }, + { + "compound_id": "C04205", + "inchi": "InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)12-8(13)4-9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)", + "name": "N-(3,4-Dichlorophenyl)-malonamate", + "names": [ + "N-(3,4-Dichlorophenyl)-malonamate" + ] + }, + { + "compound_id": "C04207", + "inchi": "InChI=1S/C14H11NO4/c16-10-6-7-11(14(18)19)12(8-10)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)", + "name": "N-Benzoyl-4-hydroxyanthranilate", + "names": [ + "N-Benzoyl-4-hydroxyanthranilate" + ] + }, + { + "compound_id": "C04208", + "inchi": "InChI=1S/C15H13NO4/c1-20-11-7-8-12(15(18)19)13(9-11)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)(H,18,19)", + "name": "N-Benzoyl-4-methoxyanthranilate", + "names": [ + "N-Benzoyl-4-methoxyanthranilate" + ] + }, + { + "compound_id": "C04209", + "inchi": "InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1", + "name": "3-(Carboxycarbonylamino)-L-alanine", + "names": [ + "3-(Carboxycarbonylamino)-L-alanine", + "L-alpha-Amino-beta-oxalylaminopropionic acid", + "N3-Oxalyl-L-2,3-diaminopropanoate", + "beta-ODAP" + ] + }, + { + "compound_id": "C04210", + "inchi": "InChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6-/m0/s1", + "name": "N5-(L-1-Carboxyethyl)-L-ornithine", + "names": [ + "N5-(L-1-Carboxyethyl)-L-ornithine" + ] + }, + { + "compound_id": "C04211", + "inchi": "InChI=1S/C16H21N3O3/c17-13(16(21)22)6-3-4-8-18-15(20)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,19H,3-4,6,8-9,17H2,(H,18,20)(H,21,22)/t13-/m0/s1", + "name": "N(6)-[(Indol-3-yl)acetyl]-L-lysine", + "names": [ + "N(6)-[(Indol-3-yl)acetyl]-L-lysine", + "N6-[(Indol-3-yl)acetyl]-L-lysine" + ] + }, + { + "compound_id": "C04212", + "inchi": null, + "name": "3',5'-Cyclic nucleotide", + "names": [ + "3',5'-Cyclic nucleotide", + "Nucleoside 3',5'-cyclic phosphate" + ] + }, + { + "compound_id": "C04213", + "inchi": null, + "name": "Dolichyl diphosphooligosaccharide", + "names": [ + "Dolichyl diphosphooligosaccharide", + "Oligosaccharide-PP-Dol", + "Oligosaccharide-diphosphodolichol" + ] + }, + { + "compound_id": "C04214", + "inchi": null, + "name": "Phospho-[tyrosine-3-monoxygenase]", + "names": [ + "Phospho-[tyrosine-3-monoxygenase]" + ] + }, + { + "compound_id": "C04215", + "inchi": null, + "name": "Phospholipid methylene fatty acid", + "names": [ + "Phospholipid methylene fatty acid" + ] + }, + { + "compound_id": "C04216", + "inchi": "InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21+,33-23+,34-25+,35-27+", + "name": "all-trans-Heptaprenyl diphosphate", + "names": [ + "all-trans-Heptaprenyl diphosphate" + ] + }, + { + "compound_id": "C04217", + "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+", + "name": "all-trans-Pentaprenyl diphosphate", + "names": [ + "Geranylfarnesyl diphosphate", + "all-trans-Pentaprenyl diphosphate" + ] + }, + { + "compound_id": "C04218", + "inchi": "InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(46)32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)42(53)54-31-35-37(48)39(50)41(52)44(56-35)57-43-40(51)38(49)36(47)34(30-45)55-43/h13,15,32-41,43-52H,3-12,14,16-31H2,1-2H3/b15-13+/t32?,33?,34-,35-,36-,37-,38+,39+,40-,41-,43-,44-/m1/s1", + "name": "alpha,alpha'-Trehalose 6-mycolate", + "names": [ + "alpha,alpha'-Trehalose 6-mycolate" + ] + }, + { + "compound_id": "C04219", + "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6?,7-,8?,9?,10+,11-,12+/m1/s1", + "name": "alpha-D-Aldosyl beta-D-fructoside", + "names": [ + "alpha-D-Aldosyl beta-D-fructoside", + "alpha-D-Aldosyl1 beta-D-fructoside", + "alpha-D-Aldosyl2 beta-D-fructoside" + ] + }, + { + "compound_id": "C04221", + "inchi": "InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6-/m1/s1", + "name": "trans-1,2-Dihydrobenzene-1,2-diol", + "names": [ + "trans-1,2-Dihydrobenzene-1,2-diol" + ] + }, + { + "compound_id": "C04223", + "inchi": "InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+", + "name": "(+/-)-6-Hydroxy-3-oxo-alpha-ionone", + "names": [ + "(+/-)-6-Hydroxy-3-oxo-alpha-ionone" + ] + }, + { + "compound_id": "C04225", + "inchi": "InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-", + "name": "(Z)-But-2-ene-1,2,3-tricarboxylate", + "names": [ + "(Z)-But-2-ene-1,2,3-tricarboxylate", + "cis-2-Methylaconitate" + ] + }, + { + "compound_id": "C04226", + "inchi": "InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10)", + "name": "6-Oxo-1,4,5,6-tetrahydronicotinate", + "names": [ + "1,4,5,6-Tetrahydro-6-oxonicotinate", + "1,4,5,6-Tetrahydro-6-oxonicotinic acid", + "6-Oxo-1,4,5,6-tetrahydronicotinate" + ] + }, + { + "compound_id": "C04227", + "inchi": "InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1", + "name": "1-(4-Hydroxyphenyl)-2-aminoethanol", + "names": [ + "1-(4-Hydroxyphenyl)-2-aminoethanol", + "Octopamine", + "p-Hydroxyphenylethanolamine" + ] + }, + { + "compound_id": "C04229", + "inchi": "InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)", + "name": "1-(Indol-3-yl)propanol 3-phosphate", + "names": [ + "1-(Indol-3-yl)propanol 3-phosphate", + "Indolepropanol phosphate" + ] + }, + { + "compound_id": "C04230", + "inchi": null, + "name": "1-Acyl-sn-glycero-3-phosphocholine", + "names": [ + "1-Acyl-sn-glycero-3-phosphocholine", + "1-Acyl-sn-glycerol-3-phosphocholine", + "1-Acylglycerophosphocholine", + "2-Lysolecithin", + "2-Lysophosphatidylcholine", + "alpha-Acylglycerophosphocholine" + ] + }, + { + "compound_id": "C04232", + "inchi": null, + "name": "2'-Deoxyribonucleoside diphosphate", + "names": [ + "2'-Deoxyribonucleoside diphosphate" + ] + }, + { + "compound_id": "C04233", + "inchi": null, + "name": "2-Acyl-sn-glycero-3-phosphocholine", + "names": [ + "1-Lysolecithin", + "1-Lysophosphatidylcholine", + "2-Acyl-sn-glycero-3-phosphocholine", + "2-Acylglycero-3-phosphocholine", + "3-Lysolecithin" + ] + }, + { + "compound_id": "C04234", + "inchi": "InChI=1S/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/t3-,4-,6-/m1/s1", + "name": "2-Carboxy-D-arabinitol 1-phosphate", + "names": [ + "2-Carboxy-D-arabinitol 1-phosphate", + "2-Carboxyarabinitol 1-phosphate" + ] + }, + { + "compound_id": "C04235", + "inchi": null, + "name": "3-Acetylenic fatty acyl thioesters", + "names": [ + "3-Acetylenic fatty acyl thioesters" + ] + }, + { + "compound_id": "C04236", + "inchi": "InChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/t4-/m0/s1", + "name": "(2S)-2-Isopropyl-3-oxosuccinate", + "names": [ + "(2S)-2-Isopropyl-3-oxosuccinate", + "2-Oxo-4-methyl-3-carboxypentanoate", + "3-Carboxy-4-methyl-2-oxopentanoate" + ] + }, + { + "compound_id": "C04237", + "inchi": "InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)", + "name": "3-Hydroxy-3-methyl-2-oxopentanoic acid", + "names": [ + "3-Hydroxy-3-methyl-2-oxopentanoate", + "3-Hydroxy-3-methyl-2-oxopentanoic acid" + ] + }, + { + "compound_id": "C04239", + "inchi": null, + "name": "5'-Dephospho-RNA 3'-mononucleotide", + "names": [ + "5'-Dephospho-RNA 3'-mononucleotide" + ] + }, + { + "compound_id": "C04242", + "inchi": "InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1", + "name": "5-Fluorodeoxyuridine monophosphate", + "names": [ + "5-Fluorodeoxyuridine monophosphate" + ] + }, + { + "compound_id": "C04244", + "inchi": "InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)", + "name": "6-Lactoyl-5,6,7,8-tetrahydropterin", + "names": [ + "6-Lactoyl-5,6,7,8-tetrahydropterin" + ] + }, + { + "compound_id": "C04246", + "inchi": null, + "name": "But-2-enoyl-[acyl-carrier protein]", + "names": [ + "But-2-enoyl-[acyl-carrier protein]", + "cis-but-2-enoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04247", + "inchi": null, + "name": "D-Galactosyl-1,4-beta-D-glucosyl-R", + "names": [ + "D-Galactosyl-1,4-beta-D-glucosyl-R" + ] + }, + { + "compound_id": "C04248", + "inchi": null, + "name": "6-(alpha-D-Glucosaminyl)-1-phosphatidyl-1D-myo-inositol", + "names": [ + "6-(alpha-D-Glucosaminyl)-1-phosphatidyl-1D-myo-inositol", + "D-Glucosaminylphosphatidylinositol" + ] + }, + { + "compound_id": "C04250", + "inchi": null, + "name": "DNA containing 6-O-methylguanine", + "names": [ + "DNA containing 6-O-methylguanine" + ] + }, + { + "compound_id": "C04251", + "inchi": "InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/t16-,18-,19-,23-,25+,26+/m0/s1", + "name": "Deoxylimononic acid D-ring-lactone", + "names": [ + "Deoxylimononic acid D-ring-lactone" + ] + }, + { + "compound_id": "C04253", + "inchi": null, + "name": "Electron-transferring flavoprotein", + "names": [ + "Electron-transferring flavoprotein" + ] + }, + { + "compound_id": "C04255", + "inchi": "InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1", + "name": "N-Acetyl-D-galactosamine 6-sulfate", + "names": [ + "N-Acetyl-D-galactosamine 6-sulfate" + ] + }, + { + "compound_id": "C04256", + "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1", + "name": "N-Acetyl-D-glucosamine 1-phosphate", + "names": [ + "N-Acetyl-D-glucosamine 1-phosphate", + "n-acetyl--d-glucosamine 1-phosphate" + ] + }, + { + "compound_id": "C04257", + "inchi": "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8?/m1/s1", + "name": "N-Acetyl-D-mannosamine 6-phosphate", + "names": [ + "N-Acetyl-D-mannosamine 6-phosphate", + "N-Acetylmannosamine 6-phosphate" + ] + }, + { + "compound_id": "C04258", + "inchi": null, + "name": "N-Formyl-L-methionylaminoacyl-tRNA", + "names": [ + "N-Formyl-L-methionylaminoacyl-tRNA" + ] + }, + { + "compound_id": "C04259", + "inchi": "InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1", + "name": "N,N-Dimethylhistidine", + "names": [ + "N,N-Dimethylhistidine", + "Nalpha,Nalpha-Dimethyl-L-histidine" + ] + }, + { + "compound_id": "C04260", + "inchi": null, + "name": "O-D-Alanyl-poly(ribitol phosphate)", + "names": [ + "O-D-Alanyl-poly(ribitol phosphate)" + ] + }, + { + "compound_id": "C04261", + "inchi": null, + "name": "Protein N(pi)-phospho-L-histidine", + "names": [ + "Protein N(pi)-phospho-L-histidine", + "Protein N-pros-phospho-L-histidine", + "Protein N-pros-phosphohistidine", + "Protein Npi-phospho-L-histidine" + ] + }, + { + "compound_id": "C04262", + "inchi": null, + "name": "Protein N(tau)-phospho-L-histidine", + "names": [ + "Protein N(tau)-phospho-L-histidine", + "Protein N-tele-phospho-L-histidine", + "Protein N-tele-phosphohistidine" + ] + }, + { + "compound_id": "C04264", + "inchi": "InChI=1S/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13)", + "name": "S-(4-Bromophenyl)-mercaptopyruvate", + "names": [ + "S-(4-Bromophenyl)-mercaptopyruvate" + ] + }, + { + "compound_id": "C04265", + "inchi": "InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(30)37-17-19-22(32)24(34)26(36)28(39-19)40-27-25(35)23(33)21(31)18(16-29)38-27/h18-19,21-29,31-36H,2-17H2,1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1", + "name": "alpha,alpha'-Trehalose 6-palmitate", + "names": [ + "alpha,alpha'-Trehalose 6-palmitate" + ] + }, + { + "compound_id": "C04266", + "inchi": null, + "name": "alpha-D-Glucosyllipopolysaccharide", + "names": [ + "alpha-D-Glucosyllipopolysaccharide" + ] + }, + { + "compound_id": "C04268", + "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1", + "name": "dTDP-4-amino-4,6-dideoxy-D-glucose", + "names": [ + "dTDP-4-amino-4,6-dideoxy-D-glucose" + ] + }, + { + "compound_id": "C04271", + "inchi": "InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1", + "name": "3,9-Dihydroxypterocarpan", + "names": [ + "(6aR,11aR)-3,9-Dihydroxypterocarpan", + "3,9-Dihydroxypterocarpan" + ] + }, + { + "compound_id": "C04272", + "inchi": "InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1", + "name": "(R)-2,3-Dihydroxy-3-methylbutanoate", + "names": [ + "(2R)-2,3-Dihydroxy-3-methylbutanoate", + "(R)-2,3-Dihydroxy-3-methylbutanoate", + "(R)-2,3-Dihydroxy-isovalerate", + "(R)-2,3-Dihydroxy-isovaleric acid" + ] + }, + { + "compound_id": "C04273", + "inchi": "InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14?/m1/s1", + "name": "(S)-Mandelonitrile beta-D-glucoside", + "names": [ + "(S)-Mandelonitrile beta-D-glucoside" + ] + }, + { + "compound_id": "C04274", + "inchi": "InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2", + "name": "1,2-Epoxy-3-(p-Nitrophenoxy)propane", + "names": [ + "1,2-Epoxy-3-(p-Nitrophenoxy)propane", + "EPNP" + ] + }, + { + "compound_id": "C04275", + "inchi": "InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/b7-5+,8-6+/t20-,25-,26+,27-,28+/m1/s1", + "name": "1,2-Bis-O-sinapoyl-beta-D-glucoside", + "names": [ + "1,2-Bis-O-sinapoyl-beta-D-glucoside" + ] + }, + { + "compound_id": "C04276", + "inchi": null, + "name": "1,6-alpha-D-Mannosyloligosaccharide", + "names": [ + "1,6-alpha-D-Mannosyloligosaccharide" + ] + }, + { + "compound_id": "C04277", + "inchi": "InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)", + "name": "1,8-Diazacyclotetradecane-2,9-dione", + "names": [ + "1,8-Diazacyclotetradecane-2,9-dione" + ] + }, + { + "compound_id": "C04280", + "inchi": "InChI=1S/C7H15N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-6,11-15H,(H4,8,9,10)/t1-,2-,3+,4+,5-,6-", + "name": "1-Guanidino-1-deoxy-scyllo-inositol", + "names": [ + "1-Guanidino-1-deoxy-scyllo-inositol", + "Amidino-scyllo-inosamine" + ] + }, + { + "compound_id": "C04281", + "inchi": "InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)/t3-,4+/m1/s1", + "name": "L-1-Pyrroline-3-hydroxy-5-carboxylate", + "names": [ + "(3R,5S)-1-Pyrroline-3-hydroxy-5-carboxylate", + "3-Hydroxy-L-1-pyrroline-5-carboxylate", + "L-1-Pyrroline-3-hydroxy-5-carboxylate" + ] + }, + { + "compound_id": "C04282", + "inchi": "InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9)", + "name": "1-Pyrroline-4-hydroxy-2-carboxylate", + "names": [ + "1-Pyrroline-4-hydroxy-2-carboxylate" + ] + }, + { + "compound_id": "C04283", + "inchi": null, + "name": "2'-Deoxyribonucleoside triphosphate", + "names": [ + "2'-Deoxyribonucleoside triphosphate" + ] + }, + { + "compound_id": "C04284", + "inchi": "InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3", + "name": "2-Heptyl-4-hydroxyquinoline-N-oxide", + "names": [ + "2-Heptyl-4-hydroxyquinoline-N-oxide", + "HQNO" + ] + }, + { + "compound_id": "C04285", + "inchi": "InChI=1S/C9H6Br2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)", + "name": "3,5-Dibromo-4-hydroxyphenylpyruvate", + "names": [ + "3,5-Dibromo-4-hydroxyphenylpyruvate" + ] + }, + { + "compound_id": "C04286", + "inchi": "InChI=1S/C9H6N2O8/c12-7(9(14)15)3-4-1-5(10(16)17)8(13)6(2-4)11(18)19/h1-2,13H,3H2,(H,14,15)", + "name": "3,5-Dinitro-4-hydroxyphenylpyruvate", + "names": [ + "3,5-Dinitro-4-hydroxyphenylpyruvate" + ] + }, + { + "compound_id": "C04287", + "inchi": "InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4,6-7,9,11H,1H2/t2-,4+,6-/m1/s1", + "name": "3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione", + "names": [ + "(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione", + "3,5/4-Trihydroxycyclohexa-1,2-dione", + "3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione", + "D-2,3-Diketo-4-deoxy-epi-inositol" + ] + }, + { + "compound_id": "C04290", + "inchi": "InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1", + "name": "4-(3-Methylbut-2-enyl)-L-tryptophan", + "names": [ + "4-(3-Methylbut-2-enyl)-L-tryptophan" + ] + }, + { + "compound_id": "C04291", + "inchi": "InChI=1S/C14H15N3O/c1-16(2)13-10-8-12(9-11-13)15-17(18)14-6-4-3-5-7-14/h3-11H,1-2H3/b17-15-", + "name": "4-(Dimethylamino)phenylazoxybenzene", + "names": [ + "4-(Dimethylamino)phenylazoxybenzene" + ] + }, + { + "compound_id": "C04292", + "inchi": null, + "name": "5'-Phosphonucleoside 3'-diphosphate", + "names": [ + "5'-Phosphonucleoside 3'-diphosphate" + ] + }, + { + "compound_id": "C04293", + "inchi": "InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3", + "name": "Chrysoeriol", + "names": [ + "3'-O-Methylluteolin", + "5,7,4'-Trihydroxy-3'-methoxyflavone", + "Chrysoeriol" + ] + }, + { + "compound_id": "C04294", + "inchi": "InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3", + "name": "5-(2-Hydroxyethyl)-4-methylthiazole", + "names": [ + "4-Methyl-5-(2'-hydroxyethyl)-thiazole", + "4-Methyl-5-(2-hydroxyethyl)-thiazole", + "5-(2-Hydroxyethyl)-4-methylthiazole" + ] + }, + { + "compound_id": "C04295", + "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "Androstenediol", + "names": [ + "3beta,17beta-Dihydroxy-5-androstene", + "3beta,17beta-Dihydroxyandrost-5-ene", + "Androst-5-ene-3beta,17beta-diol", + "Androstenediol" + ] + }, + { + "compound_id": "C04297", + "inchi": "InChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14-/m1/s1", + "name": "CDP-4-dehydro-3,6-dideoxy-D-glucose", + "names": [ + "CDP-3,6-dideoxy-D-erythro-hexos-4-ulose", + "CDP-4-dehydro-3,6-dideoxy-D-glucose" + ] + }, + { + "compound_id": "C04298", + "inchi": null, + "name": "Citrate (pro-3S)-lyase (thiol form)", + "names": [ + "Citrate (pro-3S)-lyase (thiol form)", + "[Citrate (pro-3S)-lyase](thiol form)" + ] + }, + { + "compound_id": "C04299", + "inchi": "InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1", + "name": "D-myo-Inositol 1,2-cyclic phosphate", + "names": [ + "1D-myo-Inositol 1,2-cyclic phosphate", + "D-myo-Inositol 1,2-cyclic phosphate" + ] + }, + { + "compound_id": "C04300", + "inchi": "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18+,19+,20-,21+,23-,24?/m1/s1", + "name": "Estradiol-17alpha 3-D-glucuronoside", + "names": [ + "Estradiol-17alpha 3-D-glucuronoside" + ] + }, + { + "compound_id": "C04301", + "inchi": "InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1", + "name": "N(alpha)-t-Butoxycarbonyl-L-leucine", + "names": [ + "N(alpha)-t-Butoxycarbonyl-L-leucine" + ] + }, + { + "compound_id": "C04302", + "inchi": "InChI=1S/C12H16NO9P/c14-9-8(5-21-23(18,19)20)22-11(10(9)15)13-7-4-2-1-3-6(7)12(16)17/h1-4,8-11,13-15H,5H2,(H,16,17)(H2,18,19,20)/t8-,9-,10-,11-/m1/s1", + "name": "N-(5-Phospho-D-ribosyl)anthranilate", + "names": [ + "N-(5-Phospho-D-ribosyl)anthranilate", + "N-(5-Phospho-beta-D-ribosyl)anthranilate", + "N-(5-Phosphoribosyl)anthranilic acid" + ] + }, + { + "compound_id": "C04303", + "inchi": "InChI=1S/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)/t16-/m1/s1", + "name": "N-Benzoyl-D-arginine-4-nitroanilide", + "names": [ + "Bz-Arg-p-nitroanilide", + "N-Benzoyl-D-arginine-4-nitroanilide" + ] + }, + { + "compound_id": "C04305", + "inchi": null, + "name": "N-Long-chain-fatty-acyl-L-glutamate", + "names": [ + "N-Long-chain-fatty-acyl-L-glutamate" + ] + }, + { + "compound_id": "C04307", + "inchi": "InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(38,39)46-49(40,45-47(35,36)37)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,38,39)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/t7-,8-,11-,12-,13-,14-,19-,20-,49?/m1/s1", + "name": "P1,P2-Bis(5'-adenosyl) triphosphate", + "names": [ + "P1,P2-Bis(5'-adenosyl) triphosphate" + ] + }, + { + "compound_id": "C04308", + "inchi": null, + "name": "Phosphatidyl-N-dimethylethanolamine", + "names": [ + "Phosphatidyl-N-dimethylethanolamine" + ] + }, + { + "compound_id": "C04309", + "inchi": "InChI=1S/C4H7O7P/c1-2(3(5)4(6)7)11-12(8,9)10/h3,5H,1H2,(H,6,7)(H2,8,9,10)", + "name": "Phosphoenol-4-deoxy-3-tetrulosonate", + "names": [ + "Phosphoenol-4-deoxy-3-tetrulosonate" + ] + }, + { + "compound_id": "C04311", + "inchi": null, + "name": "Protein L-isoaspartate methyl ester", + "names": [ + "Protein L-isoaspartate alpha-methyl ester", + "Protein L-isoaspartate methyl ester" + ] + }, + { + "compound_id": "C04312", + "inchi": null, + "name": "RNA terminal-2',3'-cyclic-phosphate", + "names": [ + "RNA terminal-2',3'-cyclic-phosphate" + ] + }, + { + "compound_id": "C04313", + "inchi": null, + "name": "beta-Substituted alpha-L-amino acid", + "names": [ + "beta-Substituted alpha-L-amino acid" + ] + }, + { + "compound_id": "C04314", + "inchi": "InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1", + "name": "cis-1,2-Dihydronaphthalene-1,2-diol", + "names": [ + "(1R,2S)-1,2-Dihydronaphthalene-1,2-diol", + "cis-1,2-Dihydronaphthalene-1,2-diol" + ] + }, + { + "compound_id": "C04315", + "inchi": null, + "name": "sn-3-D-Galactosyl-sn-2-acylglycerol", + "names": [ + "Gal-beta1->3acyl1Gro", + "Galbeta1->3acyl1Gro", + "Mono-beta-D-galactosylacylglycerol", + "Monogalactosyl-monoacylglycerol", + "sn-3-D-Galactosyl-sn-2-acylglycerol" + ] + }, + { + "compound_id": "C04316", + "inchi": "InChI=1S/C29H48N7O18P3S/c1-28(2,23(40)26(41)32-9-6-18(37)31-10-11-58-19(38)12-29(42)7-4-3-5-8-29)14-51-57(48,49)54-56(46,47)50-13-17-22(53-55(43,44)45)21(39)27(52-17)36-16-35-20-24(30)33-15-34-25(20)36/h15-17,21-23,27,39-40,42H,3-14H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23?,27-/m1/s1", + "name": "(1-Hydroxycyclohexan-1-yl)acetyl-CoA", + "names": [ + "(1-Hydroxycyclohexan-1-yl)acetyl-CoA" + ] + }, + { + "compound_id": "C04317", + "inchi": null, + "name": "1-Organyl-2-lyso-sn-glycero-3-phosphocholine", + "names": [ + "1-Alkyl-2-lyso-sn-glycero-3-phosphocholine", + "1-Alkyl-sn-glycero-3-phosphocholine", + "1-Organyl-2-lyso-sn-glycero-3-phosphocholine", + "1-Radyl-2-lyso-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C04318", + "inchi": "InChI=1S/C22H28N2O5/c1-4-20-8-5-10-24-11-9-21(16(20)24)14-7-6-13(25)12-15(14)23(2)17(21)22(28,18(20)26)19(27)29-3/h5-8,12,16-18,25-26,28H,4,9-11H2,1-3H3/t16-,17+,18+,20+,21+,22-/m0/s1", + "name": "11-O-Demethyl-17-O-deacetylvindoline", + "names": [ + "11-O-Demethyl-17-O-deacetylvindoline" + ] + }, + { + "compound_id": "C04322", + "inchi": "InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)", + "name": "delta-1-Pyrroline-5-carboxylate", + "names": [ + "3,4-Dihydro-2H-Pyrrole-2-carboxylate", + "delta-1-Pyrroline-5-carboxylate" + ] + }, + { + "compound_id": "C04323", + "inchi": "InChI=1S/C9H6Cl2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)", + "name": "3,5-Dichloro-4-hydroxyphenylpyruvate", + "names": [ + "3,5-Dichloro-4-hydroxyphenylpyruvate" + ] + }, + { + "compound_id": "C04324", + "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1+", + "name": "2-Hydroxy-4-carboxyhexa-2,4-dienedioate", + "names": [ + "2-Hydroxy-4-carboxyhexa-2,4-dienedioate", + "4-Carboxy-2-hydroxy-cis,cis-muconate", + "4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate" + ] + }, + { + "compound_id": "C04327", + "inchi": "InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)", + "name": "4-Methyl-5-(2-phosphoethyl)-thiazole", + "names": [ + "4-Methyl-5-(2-phosphoethyl)-thiazole", + "4-Methyl-5-(2-phosphono-oxyethyl)-thiazole", + "4-methyl-5-(2-phosphonoxyethyl)-thiazole" + ] + }, + { + "compound_id": "C04328", + "inchi": null, + "name": "5'-Phosphomonoester oligonucleotides", + "names": [ + "5'-Phosphomonoester oligonucleotides" + ] + }, + { + "compound_id": "C04330", + "inchi": "InChI=1S/C31H43N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/p+1/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1", + "name": "5,10-Methenyltetrahydromethanopterin", + "names": [ + "5,10-Methenyl-5,6,7,8-tetrahydromethanopterin", + "5,10-Methenyltetrahydromethanopterin", + "N5,N10-Methenyltetrahydromethanopterin" + ] + }, + { + "compound_id": "C04332", + "inchi": "InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1", + "name": "6,7-Dimethyl-8-(D-ribityl)lumazine", + "names": [ + "6,7-Dimethyl-8-(D-ribityl)lumazine" + ] + }, + { + "compound_id": "C04333", + "inchi": "InChI=1S/C12H20O10/c13-1-5-7(15)9(17)11(21-5)3-20-12(4-19-11)10(18)8(16)6(2-14)22-12/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1", + "name": "Bis-D-fructose 2',1:2,1'-dianhydride", + "names": [ + "2,1' dianhydride", + "Bis-D-fructose 2',1:2,1'-dianhydride", + "Di-D-fructose 1,2'", + "Difructose anhydride I" + ] + }, + { + "compound_id": "C04334", + "inchi": null, + "name": "Citrate (pro-3S)-lyase (acetyl form)", + "names": [ + "Citrate (pro-3S)-lyase (acetyl form)", + "[Citrate (pro-3S)-lyase](acetyl form)" + ] + }, + { + "compound_id": "C04335", + "inchi": "InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1", + "name": "N(alpha)-Benzyloxycarbonyl-L-leucine", + "names": [ + "N(alpha)-Benzyloxycarbonyl-L-leucine" + ] + }, + { + "compound_id": "C04336", + "inchi": "InChI=1S/C8H16NO10P/c10-1-4(11)9-5-7(13)6(12)3(19-8(5)14)2-18-20(15,16)17/h3,5-8,10,12-14H,1-2H2,(H,9,11)(H2,15,16,17)/t3-,5+,6-,7-,8-/m1/s1", + "name": "N-Glycolyl-D-mannosamine 6-phosphate", + "names": [ + "N-Glycolyl-D-mannosamine 6-phosphate" + ] + }, + { + "compound_id": "C04337", + "inchi": "InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1", + "name": "Ngamma-Nitro-L-arginine methyl ester", + "names": [ + "Ngamma-Nitro-L-arginine methyl ester" + ] + }, + { + "compound_id": "C04339", + "inchi": null, + "name": "Peptide N-(ADP-D-ribosyl)diphthamide", + "names": [ + "EF-2 N-(ADP-D-ribosyl)diphthamide", + "Elongation factor 2 N-(ADP-D-ribosyl)diphthamide", + "Peptide N-(ADP-D-ribosyl)diphthamide" + ] + }, + { + "compound_id": "C04340", + "inchi": null, + "name": "Phospholipid cyclopropane fatty acid", + "names": [ + "Phospholipid cyclopropane fatty acid" + ] + }, + { + "compound_id": "C04341", + "inchi": null, + "name": "Ribosomal-protein N-acetyl-L-alanine", + "names": [ + "Ribosomal-protein N-acetyl-L-alanine" + ] + }, + { + "compound_id": "C04342", + "inchi": null, + "name": "Soluble variant-surface-glycoprotein", + "names": [ + "Soluble variant-surface-glycoprotein" + ] + }, + { + "compound_id": "C04346", + "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1", + "name": "dTDP-4-amino-4,6-dideoxy-D-galactose", + "names": [ + "dTDP-4-amino-4,6-dideoxy-D-galactose" + ] + }, + { + "compound_id": "C04347", + "inchi": null, + "name": "(+)-2,3-Dienoyl fatty acyl thioesters", + "names": [ + "(+)-2,3-Dienoyl fatty acyl thioesters" + ] + }, + { + "compound_id": "C04348", + "inchi": "InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13+,17+,18+,19?,23+/m0/s1", + "name": "(3S)-3-Carboxy-3-hydroxypropanoyl-CoA", + "names": [ + "(3S)-3-Carboxy-3-hydroxypropanoyl-CoA", + "(3S)-3-Carboxy-3-hydroxypropionyl-CoA", + "(r,s)-malyl-coa", + "L-Malyl-CoA", + "Malyl-CoA" + ] + }, + { + "compound_id": "C04349", + "inchi": "InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)/t3-/m0/s1", + "name": "(4S)-4,6-Dihydroxy-2,5-dioxohexanoate", + "names": [ + "(4S)-4,6-Dihydroxy-2,5-dioxohexanoate", + "2,5-Diketo-3-deoxy-D-gluconate", + "3-Deoxy-D-glycero-2,5-hexodiulosonate" + ] + }, + { + "compound_id": "C04350", + "inchi": "InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6+", + "name": "(E)-4-Hydroxyphenylacetaldehyde-oxime", + "names": [ + "(E)-4-Hydroxyphenylacetaldehyde-oxime" + ] + }, + { + "compound_id": "C04351", + "inchi": "InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-7,10,12H,1-2H3/b11-8+/t10-/m0/s1", + "name": "(R)-2-Methylimino-1-phenylpropan-1-ol", + "names": [ + "(R)-2-Methylimino-1-phenylpropan-1-ol" + ] + }, + { + "compound_id": "C04352", + "inchi": "InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1", + "name": "(R)-4'-Phosphopantothenoyl-L-cysteine", + "names": [ + "(R)-4'-Phosphopantothenoyl-L-cysteine", + "N-[(R)-4'-Phosphopantothenoyl]-L-cysteine" + ] + }, + { + "compound_id": "C04353", + "inchi": "InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6-", + "name": "(Z)-4-Hydroxyphenylacetaldehyde oxime", + "names": [ + "(Z)-4-Hydroxyphenylacetaldehyde oxime", + "(Z)-[4-Hydroxyphenylacetaldehyde oxime]" + ] + }, + { + "compound_id": "C04354", + "inchi": "InChI=1S/C12H18O13/c13-1-2(14)7(10(20)21)24-12(5(1)17)25-8-4(16)3(15)6(9(18)19)23-11(8)22/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2-,3-,4-,5+,6-,7-,8+,11?,12-/m0/s1", + "name": "1,2-beta-D-Glucuronosyl-D-glucuronate", + "names": [ + "(1->2)-beta-D-Glucuronosyl-D-glucuronate", + "1,2-beta-D-Glucuronosyl-D-glucuronate" + ] + }, + { + "compound_id": "C04359", + "inchi": "InChI=1S/C7H15O9P/c1-3(8)5(10)7(12)6(11)4(9)2-16-17(13,14)15/h4-7,9-12H,2H2,1H3,(H2,13,14,15)/t4-,5-,6-,7+/m1/s1", + "name": "1-Deoxy-D-altro-heptulose 7-phosphate", + "names": [ + "1-Deoxy-D-altro-heptulose 7-phosphate" + ] + }, + { + "compound_id": "C04360", + "inchi": "InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1", + "name": "1-O,2-O,6-O-Trigalloyl-beta-D-glucose", + "names": [ + "1,2,6-Trigalloylglucose", + "1-O,2-O,6-O-Trigalloyl-beta-D-glucose" + ] + }, + { + "compound_id": "C04361", + "inchi": null, + "name": "1-O-Alkyl-2-acetyl-3-acyl-sn-glycerol", + "names": [ + "1-O-Alkyl-2-acetyl-3-acyl-sn-glycerol", + "2-Acetyl-1-O-alkyl-3-acyl-sn-glycerol" + ] + }, + { + "compound_id": "C04364", + "inchi": null, + "name": "2-Hexadecenoyl-[acyl-carrier protein]", + "names": [ + "2-Hexadecenoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04365", + "inchi": null, + "name": "3'-Hydroxy-terminated oligonucleotide", + "names": [ + "3'-Hydroxy-terminated oligonucleotide" + ] + }, + { + "compound_id": "C04366", + "inchi": "InChI=1S/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)/b3-1-,4-2+,6-5+", + "name": "3-(2-Carboxyethenyl)-cis,cis-muconate", + "names": [ + "3-(2-Carboxyethenyl)-cis,cis-muconate" + ] + }, + { + "compound_id": "C04367", + "inchi": "InChI=1S/C9H8I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,12-13H,3H2,(H,14,15)", + "name": "3-(3,5-Diiodo-4-hydroxyphenyl)lactate", + "names": [ + "(3,5-diiodo-4-hydroxyphenyl)lactate", + "3-(3,5-Diiodo-4-hydroxyphenyl)lactate" + ] + }, + { + "compound_id": "C04368", + "inchi": "InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)", + "name": "3-Amino-3-(4-hydroxyphenyl)propanoate", + "names": [ + "3-Amino-3-(4-hydroxyphenyl)propanoate", + "beta-Tyrosine" + ] + }, + { + "compound_id": "C04371", + "inchi": "InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)", + "name": "3-Mercapto-2-mercaptomethylpropanoate", + "names": [ + "3-Mercapto-2-mercaptomethylpropanoate" + ] + }, + { + "compound_id": "C04372", + "inchi": null, + "name": "3-O-L-Alanyl-1-O-phosphatidylglycerol", + "names": [ + "3-O-L-Alanyl-1-O-phosphatidylglycerol" + ] + }, + { + "compound_id": "C04373", + "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1", + "name": "Etiocholanolone", + "names": [ + "3alpha-Hydroxy-5beta-androstan-17-one", + "3alpha-Hydroxyetiocholan-17-one", + "Etiocholan-3alpha-ol-17-one", + "Etiocholanolone" + ] + }, + { + "compound_id": "C04375", + "inchi": null, + "name": "4-N-(N-Acetyl-D-glucosaminyl)-protein", + "names": [ + "4-N-(N-Acetyl-D-glucosaminyl)-protein", + "Peptide-N4-(N-acetyl-beta-glucosaminyl)asparagine" + ] + }, + { + "compound_id": "C04376", + "inchi": "InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1", + "name": "5'-Phosphoribosyl-N-formylglycinamide", + "names": [ + "5'-Phosphoribosyl-N-formylglycinamide", + "N-Formyl-GAR", + "N-Formylglycinamide ribonucleotide", + "N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide" + ] + }, + { + "compound_id": "C04377", + "inchi": "InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1", + "name": "5,10-Methylenetetrahydromethanopterin", + "names": [ + "5,10-Methylenetetrahydromethanopterin", + "N5,N10-Methylenetetrahydromethanopterin", + "ch2-h4pteglu4" + ] + }, + { + "compound_id": "C04378", + "inchi": "InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1", + "name": "7-alpha-D-Ribosyladenine 5'-phosphate", + "names": [ + "7-alpha-D-Ribosyladenine 5'-phosphate" + ] + }, + { + "compound_id": "C04379", + "inchi": "InChI=1S/C21H28O3/c1-12(22)15-6-7-16-17-5-4-13-10-14(23)8-9-20(13,3)21(17)18(24-21)11-19(15,16)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1", + "name": "9,11alpha-Epoxypregn-4-ene-3,20-dione", + "names": [ + "9,11alpha-Epoxypregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C04381", + "inchi": null, + "name": "DNA 4,6-diamino-5-formamidopyrimidine", + "names": [ + "DNA 4,6-diamino-5-formamidopyrimidine" + ] + }, + { + "compound_id": "C04382", + "inchi": "InChI=1S/C21H42N7O15P/c1-5-21(35,4-39-44(36,37)38)16(43-17-9(26-2)13(33)10(30)6(3-29)41-17)18(40-5)42-15-8(28-20(24)25)11(31)7(27-19(22)23)12(32)14(15)34/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,36,37,38)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16?,17?,18?,21+/m0/s1", + "name": "Dihydrostreptomycin 3'alpha-phosphate", + "names": [ + "Dihydrostreptomycin 3'alpha-phosphate" + ] + }, + { + "compound_id": "C04384", + "inchi": null, + "name": "Heparan sulfate alpha-D-glucosaminide", + "names": [ + "Heparan sulfate alpha-D-glucosaminide" + ] + }, + { + "compound_id": "C04385", + "inchi": "InChI=1S/C24H22O11/c25-16(26)10-17(27)32-11-15-19(29)20(30)21(31)24(34-15)35-23-18(28)13-8-4-5-9-14(13)33-22(23)12-6-2-1-3-7-12/h1-9,15,19-21,24,29-31H,10-11H2,(H,25,26)/t15-,19-,20+,21-,24+/m1/s1", + "name": "Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)", + "names": [ + "Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C04386", + "inchi": null, + "name": "Myelin proteolipid O-palmitoylprotein", + "names": [ + "Myelin proteolipid O-palmitoylprotein", + "O-Palmitoyl-[myelin proteolipid]" + ] + }, + { + "compound_id": "C04387", + "inchi": null, + "name": "N-Acetyl-D-galactosaminyl-polypeptide", + "names": [ + "N-Acetyl-D-galactosaminyl-polypeptide" + ] + }, + { + "compound_id": "C04390", + "inchi": "InChI=1S/C9H16N2O5/c1-5(12)11-7(9(15)16)4-2-3-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7-/m0/s1", + "name": "N6-Acetyl-LL-2,6-diaminoheptanedioate", + "names": [ + "N-Acetyl-LL-2,6-diaminoheptanedioate", + "N2-Acetyl-LL-2,6-diaminoheptanedioate", + "N2-Acetyl-LL-2,6-diaminopimelate", + "N6-Acetyl-L-2,6-diaminoheptanedioate", + "N6-Acetyl-L-2,6-diaminopimelate", + "N6-Acetyl-LL-2,6-diaminoheptanedioate", + "N6-Acetyl-LL-2,6-diaminopimelate" + ] + }, + { + "compound_id": "C04391", + "inchi": null, + "name": "O-Phospho-microsomal-membrane protein", + "names": [ + "O-Phospho-microsomal-membrane protein" + ] + }, + { + "compound_id": "C04392", + "inchi": "InChI=1S/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", + "name": "P1,P4-Bis(5'-xanthosyl) tetraphosphate", + "names": [ + "P1,P4-Bis(5'-xanthosyl) tetraphosphate", + "XppppX" + ] + }, + { + "compound_id": "C04394", + "inchi": "InChI=1S/C35H61N7O18/c1-14(45)10-19-27(28(23(12-44)58-34(19)55)60-35-24(40-18(5)46)26(48)25(47)22(11-43)59-35)57-17(4)30(50)38-15(2)29(49)42-21(13-56-37)32(52)41-20(8-6-7-9-36)31(51)39-16(3)33(53)54/h15-17,19-28,34-35,43-44,47-48,55H,6-13,36-37H2,1-5H3,(H,38,50)(H,39,51)(H,40,46)(H,41,52)(H,42,49)(H,53,54)/t15-,16+,17?,19+,20-,21+,22+,23+,24+,25+,26+,27+,28?,34+,35?/m0/s1", + "name": "Peptidoglycan(N-acetyl-D-glucosamine)", + "names": [ + "Peptideglycan(N-acetyl-D-glucosamine)", + "Peptidoglycan(N-acetyl-D-glucosamine)" + ] + }, + { + "compound_id": "C04395", + "inchi": null, + "name": "Phospho-[DNA-directed RNA polymerase]", + "names": [ + "Phospho-[DNA-directed RNA polymerase]" + ] + }, + { + "compound_id": "C04397", + "inchi": null, + "name": "Procollagen trans-3-hydroxy-L-proline", + "names": [ + "Procollagen trans-3-hydroxy-L-proline" + ] + }, + { + "compound_id": "C04398", + "inchi": null, + "name": "Procollagen trans-4-hydroxy-L-proline", + "names": [ + "Procollagen trans-4-hydroxy-L-proline" + ] + }, + { + "compound_id": "C04399", + "inchi": "InChI=1S/C4H9O6PS/c1-12-4(6)3(5)2-10-11(7,8)9/h3,5H,2H2,1H3,(H2,7,8,9)/t3-/m1/s1", + "name": "S-Methyl-3-phospho-1-thio-D-glycerate", + "names": [ + "S-Methyl-3-phospho-1-thio-D-glycerate" + ] + }, + { + "compound_id": "C04403", + "inchi": "InChI=1/C61H101O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)/b47-25+,48-27+,49-29+,50-31+,51-33+,52-35+,53-37+,54-39+,55-41+,56-43+/t57-,58-,59+,60-,61+/m1/s1/f/h66H", + "name": "beta-D-Glucosyl-1-phosphoundecaprenol", + "names": [ + "beta-D-Glucosyl-1-phosphoundecaprenol" + ] + }, + { + "compound_id": "C04404", + "inchi": "InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-", + "name": "trans-4-Hydroxycyclohexanecarboxylate", + "names": [ + "trans-4-Hydroxycyclohexanecarboxylate" + ] + }, + { + "compound_id": "C04405", + "inchi": "InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,14-,15+,18+,19+,20?,24+/m0/s1", + "name": "(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA", + "names": [ + "(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA", + "(S)-3-Hydroxy-2-methylbutyryl-CoA" + ] + }, + { + "compound_id": "C04409", + "inchi": "InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1-,5-4-", + "name": "2-Amino-3-carboxymuconate semialdehyde", + "names": [ + "2-Amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate", + "2-Amino-3-(3-oxoprop-1-enyl)-but-2-enedioate", + "2-Amino-3-carboxymuconate semialdehyde" + ] + }, + { + "compound_id": "C04411", + "inchi": "InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1", + "name": "(2R,3S)-3-Isopropylmalate", + "names": [ + "(2R,3S)-3-Isopropylmalate", + "2-D-threo-Hydroxy-3-carboxy-isocaproate", + "3-Carboxy-2-hydroxy-4-methylpentanoate", + "3-Isopropylmalate" + ] + }, + { + "compound_id": "C04415", + "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1", + "name": "4-O-beta-D-Glucosyl-4-hydroxycinnamate", + "names": [ + "4-O-beta-D-Glucosyl-4-hydroxycinnamate" + ] + }, + { + "compound_id": "C04416", + "inchi": "InChI=1S/C28H46O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,18-21,23-25,29-30H,9-11,13-17H2,1-6H3/b8-7+/t19-,20+,21-,23+,24-,25-,26+,27+,28+/m0/s1", + "name": "5alpha-Ergosta-7,22-diene-3beta,5-diol", + "names": [ + "5alpha-Ergosta-7,22-diene-3beta,5-diol" + ] + }, + { + "compound_id": "C04417", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)18(32-4)34-15-5(2-20)33-17(14(28)11(15)25)30-3-6-8(22)9(23)12(26)16(29)31-6/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16+,17+,18-/m1/s1", + "name": "6-alpha-D-(1,4-alpha-D-Glucano)-glucan", + "names": [ + "6-alpha-D-(1,4-alpha-D-Glucano)-glucan" + ] + }, + { + "compound_id": "C04418", + "inchi": "InChI=1S/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)/t16-,17-/m0/s1", + "name": "N-Acetyl-L-phenylalanyl-L-diiodotyrosine", + "names": [ + "N-Acetyl-L-phenylalanyl-L-diiodotyrosine", + "N-Acetylphenylalanyl-3,5-diiodotyrosine" + ] + }, + { + "compound_id": "C04419", + "inchi": null, + "name": "Carboxybiotin-carboxyl-carrier protein", + "names": [ + "Carboxybiotin-carboxyl-carrier protein" + ] + }, + { + "compound_id": "C04420", + "inchi": "InChI=1S/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10?,11-,12?/m1/s1", + "name": "D-Fructofuranose 1,2':2,3'-dianhydride", + "names": [ + "D-Fructofuranose 1,2':2,3'-dianhydride" + ] + }, + { + "compound_id": "C04421", + "inchi": "InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1", + "name": "N-Succinyl-LL-2,6-diaminoheptanedioate", + "names": [ + "N-Succinyl-L-2,6-diaminoheptanedioate", + "N-Succinyl-L-2,6-diaminopimelate", + "N-Succinyl-LL-2,6-diaminoheptanedioate", + "N-Succinyl-LL-2,6-diaminopimelate" + ] + }, + { + "compound_id": "C04422", + "inchi": null, + "name": "N6-Alkylaminopurine-7-beta-D-glucoside", + "names": [ + "N6-Alkylaminopurine-7-beta-D-glucoside" + ] + }, + { + "compound_id": "C04423", + "inchi": "InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1", + "name": "Nicotinamide hypoxanthine dinucleotide", + "names": [ + "Nicotinamide hypoxanthine dinucleotide" + ] + }, + { + "compound_id": "C04424", + "inchi": "InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)", + "name": "S-(2-Methylpropanoyl)-dihydrolipoamide", + "names": [ + "S-(2-Methylpropanoyl)-dihydrolipoamide", + "S-(2-Methylpropionyl)-dihydrolipoamide" + ] + }, + { + "compound_id": "C04425", + "inchi": "InChI=1S/C15H19N5O6S/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25)/p+1/t8-,10-,11-,14-,27-/m1/s1", + "name": "S-Adenosyl-4-methylthio-2-oxobutanoate", + "names": [ + "S-Adenosyl-4-methylthio-2-oxobutanoate" + ] + }, + { + "compound_id": "C04426", + "inchi": "InChI=1S/C17H27N3O20P2S/c1-6(22)18-10-12(25)14(39-43(32,33)34)7(4-21)37-16(10)38-42(30,31)40-41(28,29)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,28,29)(H,30,31)(H,19,23,27)(H,32,33,34)/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1", + "name": "UDP-N-acetyl-D-galactosamine 4-sulfate", + "names": [ + "UDP-N-acetyl-D-galactosamine 4-sulfate" + ] + }, + { + "compound_id": "C04427", + "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8+,9-,10-,11+,12-,13+,14-,16+/m1/s1", + "name": "UDP-N-acetyl-beta-D-mannosaminouronate", + "names": [ + "UDP-N-acetyl-beta-D-mannosaminouronate" + ] + }, + { + "compound_id": "C04428", + "inchi": "InChI=1S/C20H35NO16/c1-5(23)21-9-13(27)11(25)7(35-18(9)32)3-33-20-17(31)15(29)12(26)8(37-20)4-34-19-16(30)14(28)10(24)6(2-22)36-19/h6-20,22,24-32H,2-4H2,1H3,(H,21,23)/t6-,7-,8-,9-,10+,11-,12+,13-,14+,15+,16-,17-,18-,19+,20-/m1/s1", + "name": "alpha-D-Galactosyl-N-acetyllactosamine", + "names": [ + "alpha-D-Galactosyl-N-acetyllactosamine" + ] + }, + { + "compound_id": "C04429", + "inchi": null, + "name": "beta-D-Glucosylpoly(ribitol phosphate)", + "names": [ + "beta-D-Glucosylpoly(ribitol phosphate)" + ] + }, + { + "compound_id": "C04431", + "inchi": "InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)/b4-3+", + "name": "cis-4-Carboxymethylenebut-2-en-4-olide", + "names": [ + "4-Carboxymethylenebut-2-en-4-olide", + "cis-4-Carboxymethylenebut-2-en-4-olide" + ] + }, + { + "compound_id": "C04432", + "inchi": null, + "name": "tRNA containing 6-isopentenyladenosine", + "names": [ + "tRNA containing 6-isopentenyladenosine" + ] + }, + { + "compound_id": "C04433", + "inchi": "InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+", + "name": "(E)-3,7-Dimethylocta-1,6-diene-3,8-diol", + "names": [ + "(E)-3,7-Dimethylocta-1,6-diene-3,8-diol" + ] + }, + { + "compound_id": "C04434", + "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+", + "name": "(1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate", + "names": [ + "(1E)-4-Oxobut-1-ene-1,2,4-tricarboxylate", + "4-Oxalmesaconic acid", + "4-Oxalomesaconate" + ] + }, + { + "compound_id": "C04435", + "inchi": "InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-", + "name": "(Z)-2-Methyl-5-isopropylhexa-2,5-dienal", + "names": [ + "(Z)-2-Methyl-5-isopropylhexa-2,5-dienal", + "cis-2-Methyl-5-isopropylhexa-2,5-dienal" + ] + }, + { + "compound_id": "C04437", + "inchi": "InChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1", + "name": "1-(5-Phosphoribosyl)imidazole-4-acetate", + "names": [ + "1-(5-Phosphoribosyl)imidazole-4-acetate" + ] + }, + { + "compound_id": "C04438", + "inchi": null, + "name": "1-Acyl-sn-glycero-3-phosphoethanolamine", + "names": [ + "1-Acyl-sn-glycero-3-phosphoethanolamine", + "L-2-Lysophosphatidylethanolamine" + ] + }, + { + "compound_id": "C04441", + "inchi": "InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1", + "name": "2-(3-amino-3-carboxypropyl)-L-histidine", + "names": [ + "2-(3-amino-3-carboxypropyl)-L-histidine" + ] + }, + { + "compound_id": "C04442", + "inchi": "InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)", + "name": "2-Dehydro-3-deoxy-6-phospho-D-gluconate", + "names": [ + "2-Dehydro-3-deoxy-6-phospho-D-gluconate", + "2-Dehydro-3-deoxy-D-gluconate 6-phosphate", + "2-Keto-3-deoxy-6-phosphogluconate", + "6-Phospho-2-dehydro-3-deoxy-D-gluconate" + ] + }, + { + "compound_id": "C04443", + "inchi": "InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3", + "name": "3',4',5,7-Tetrahydroxy-3-methoxyflavone", + "names": [ + "3',4',5,7-Tetrahydroxy-3-methoxyflavone", + "3-Methoxy-5,7,3',4'-tetrahydroxyflavone", + "3-O-Methylquercetin" + ] + }, + { + "compound_id": "C04444", + "inchi": "InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3", + "name": "3',5-Dihydroxy-3,4',7-trimethoxyflavone", + "names": [ + "3',5-Dihydroxy-3,4',7-trimethoxyflavone", + "3,7,4'-Tri-O-methylquercetin" + ] + }, + { + "compound_id": "C04445", + "inchi": "InChI=1S/C5H7NO2S/c7-5(8)4-3-9-2-1-6-4/h1-3H2,(H,7,8)", + "name": "3,4-Dehydrothiomorpholine-3-carboxylate", + "names": [ + "3,4-Dehydrothiomorpholine-3-carboxylate" + ] + }, + { + "compound_id": "C04446", + "inchi": "InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/p+1", + "name": "3-(3,4-Dihydroxypyridin-1-yl)-L-alanine", + "names": [ + "3-(3,4-Dihydroxypyridin-1-yl)-L-alanine" + ] + }, + { + "compound_id": "C04447", + "inchi": "InChI=1S/C8H9NO4/c1-9-4-3-5(13-2)6(7(9)10)8(11)12/h3-4H,1-2H3,(H,11,12)", + "name": "3-Carboxy-4-methoxy-N-methyl-2-pyridone", + "names": [ + "3-Carboxy-4-methoxy-N-methyl-2-pyridone" + ] + }, + { + "compound_id": "C04448", + "inchi": null, + "name": "3-Hydroxymethyl ceph-3-em-4-carboxylate", + "names": [ + "3-Hydroxymethyl ceph-3-em-4-carboxylate" + ] + }, + { + "compound_id": "C04451", + "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2-,4-1-", + "name": "4-Carboxy-2-hydroxyhexa-2,4-dienedioate", + "names": [ + "4-Carboxy-2-hydroxyhexa-2,4-dienedioate" + ] + }, + { + "compound_id": "C04452", + "inchi": "InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1", + "name": "4-Nitrophenol-alpha-D-galactopyranoside", + "names": [ + "4-Nitrophenol-alpha-D-galactopyranoside" + ] + }, + { + "compound_id": "C04453", + "inchi": "InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1", + "name": "4alpha-Methyl-5alpha-cholest-7-en-3-one", + "names": [ + "4alpha-Methyl-5alpha-cholest-7-en-3-one" + ] + }, + { + "compound_id": "C04454", + "inchi": "InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18)/t3-,4+,6-/m0/s1", + "name": "5-Amino-6-(5'-phospho-D-ribitylamino)uracil", + "names": [ + "5-Amino-2,6-dioxy-4-(5'-phospho-D-ribitylamino)pyrimidine", + "5-Amino-6-(5'-phospho-D-ribitylamino)uracil", + "5-Amino-6-(5-phospho-D-ribitylamino)uracil" + ] + }, + { + "compound_id": "C04457", + "inchi": "InChI=1S/C9H19N2O8P/c1-5(10)8(13)11-6(2)9(14)19-7(3-12)4-18-20(15,16)17/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H2,15,16,17)/t5-,6-,7+/m1/s1", + "name": "D-Alanyl-alanyl-poly(glycerolphosphate)", + "names": [ + "D-Alanyl-alanyl-poly(glycerolphosphate)" + ] + }, + { + "compound_id": "C04458", + "inchi": "InChI=1S/C21H43N7O18P2/c1-5-21(34,4-30)16(44-17-9(26-2)15(46-48(38,39)40)10(31)6(3-29)42-17)18(41-5)43-13-7(27-19(22)23)11(32)8(28-20(24)25)14(12(13)33)45-47(35,36)37/h5-18,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)(H2,38,39,40)/t5-,6-,7-,8+,9-,10-,11-,12-,13?,14-,15-,16?,17?,18?,21+/m0/s1", + "name": "Dihydrostreptomycin 6,3''-bis-phosphate", + "names": [ + "Dihydrostreptomycin 6,3''-bis-phosphate" + ] + }, + { + "compound_id": "C04459", + "inchi": null, + "name": "Glucuronoxylan 4-O-methyl-D-glucuronate", + "names": [ + "4-O-Methylglucuronoxylan", + "Glucuronoxylan 4-O-methyl-D-glucuronate" + ] + }, + { + "compound_id": "C04461", + "inchi": "InChI=1S/C8H17NO12P2/c1-3(10)9-5-7(12)6(11)4(2-19-22(13,14)15)20-8(5)21-23(16,17)18/h4-8,11-12H,2H2,1H3,(H,9,10)(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-,8-/m1/s1", + "name": "N-Acetyl-D-glucosamine 1,6-bisphosphate", + "names": [ + "N-Acetyl-D-glucosamine 1,6-bisphosphate", + "N-Acetyl-alpha-D-glucosamine 1,6-bisphosphate" + ] + }, + { + "compound_id": "C04462", + "inchi": "InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1", + "name": "N-Succinyl-2-L-amino-6-oxoheptanedioate", + "names": [ + "(S)-2-(Succinylamino)-6-oxoheptanedioate", + "N-Succinyl-2-L-amino-6-oxoheptanedioate", + "N-Succinyl-2-amino-6-oxo-L-pimelic acid", + "N-Succinyl-L-2-amino-6-oxoheptanedioate", + "N-Succinyl-L-2-amino-6-oxopimelate", + "N-Succinyl-epsilon-keto-L-aminopimelic acid" + ] + }, + { + "compound_id": "C04465", + "inchi": "InChI=1S/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-26,29-30,61-72,75-84H,5-24,27-28,31-60H2,1-4H3/b29-25+,30-26+/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1", + "name": "alpha,alpha'-Trehalose 6,6'-bismycolate", + "names": [ + "alpha,alpha'-Trehalose 6,6'-bismycolate" + ] + }, + { + "compound_id": "C04466", + "inchi": null, + "name": "alpha-2,8-Linked polymer of sialic acid", + "names": [ + "Poly(sialoside)", + "alpha-2,8-Linked polymer of sialic acid" + ] + }, + { + "compound_id": "C04468", + "inchi": "InChI=1S/C14H12O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,12,14-16H/t12-,14-/m0/s1", + "name": "(+)-cis-3,4-Dihydrophenanthrene-3,4-diol", + "names": [ + "(+)-cis-3,4-Dihydrophenanthrene-3,4-diol", + "cis-3,4-Dihydroxy-3,4-dihydrophenanthrene" + ] + }, + { + "compound_id": "C04469", + "inchi": "InChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3", + "name": "(+/-)-2-(4'-Isobutylphenyl)propionitrile", + "names": [ + "(+/-)-2-(4'-Isobutylphenyl)propionitrile" + ] + }, + { + "compound_id": "C04471", + "inchi": "InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1", + "name": "(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate", + "names": [ + "(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate" + ] + }, + { + "compound_id": "C04473", + "inchi": null, + "name": "3-alpha-D-Galactosyl-[lipopolysaccharide glucose]", + "names": [ + "3-alpha-D-Galactosyl-[lipopolysaccharide glucose]" + ] + }, + { + "compound_id": "C04475", + "inchi": null, + "name": "1-Alkyl-2-acylglycerophosphoethanolamine", + "names": [ + "1-Alkyl-2-acylglycerophosphoethanolamine", + "1-Organyl-2-acyl-sn-glycero-3-phosphoethanolamine", + "1-Radyl-2-acyl-sn-glycero-3-phosphoethanolamine", + "2-Acyl-1-alkyl-sn-glycero-3-phosphoethanolamine", + "O-1-Alkyl-2-acyl-sn-glycero-3-phosphoethanolamine" + ] + }, + { + "compound_id": "C04476", + "inchi": null, + "name": "1-Alkyl-sn-glycero-3-phosphoethanolamine", + "names": [ + "1-Alkyl-sn-glycero-3-phosphoethanolamine" + ] + }, + { + "compound_id": "C04477", + "inchi": "InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+", + "name": "1D-myo-Inositol 1,3,4,6-tetrakisphosphate", + "names": [ + "1D-myo-Inositol 1,3,4,6-tetrakisphosphate", + "D-myo-Inositol 1,3,4,6-tetrakisphosphate", + "Inositol 1,3,4,6-tetrakisphosphate" + ] + }, + { + "compound_id": "C04478", + "inchi": "InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1", + "name": "3-Deoxy-D-manno-octulosonate 8-phosphate", + "names": [ + "2-Dehydro-3-deoxy-D-octonate 8-phosphate", + "3-Deoxy-D-manno-octulosonate 8-phosphate" + ] + }, + { + "compound_id": "C04479", + "inchi": "InChI=1S/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)/b2-1-,7-3+", + "name": "2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate", + "names": [ + "2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate" + ] + }, + { + "compound_id": "C04480", + "inchi": "InChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1-,5-4-", + "name": "3-Carboxy-2-hydroxymuconate semialdehyde", + "names": [ + "3-Carboxy-2-hydroxymuconate semialdehyde" + ] + }, + { + "compound_id": "C04482", + "inchi": null, + "name": "3-Phosphatidyl-1'-(3'-O-L-lysyl)glycerol", + "names": [ + "3-Phosphatidyl-1'-(3'-O-L-lysyl)glycerol" + ] + }, + { + "compound_id": "C04483", + "inchi": "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1", + "name": "3alpha,12alpha-Dihydroxy-5beta-cholanate", + "names": [ + "3alpha,12alpha-Dihydroxy-5beta-cholanate", + "3alpha,12alpha-Dihydroxy-5beta-cholanic acid", + "Deoxycholate", + "Deoxycholic acid" + ] + }, + { + "compound_id": "C04484", + "inchi": "InChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b4-1+,5-3+", + "name": "4-Carboxy-2-hydroxymuconate semialdehyde", + "names": [ + "4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde", + "4-Carboxy-2-hydroxymuconate semialdehyde" + ] + }, + { + "compound_id": "C04485", + "inchi": "InChI=1S/C14H12O2S2/c1-11(15)16-9-3-2-5-12-7-8-14(18-12)13-6-4-10-17-13/h4,6-8,10H,3,9H2,1H3", + "name": "5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene", + "names": [ + "5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene" + ] + }, + { + "compound_id": "C04486", + "inchi": "InChI=1S/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2", + "name": "5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene", + "names": [ + "3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-", + "5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene" + ] + }, + { + "compound_id": "C04487", + "inchi": null, + "name": "5-(D-Galactosyloxy)-L-lysine-procollagen", + "names": [ + "5-(D-Galactosyloxy)-L-lysine-procollagen", + "Procollagen 5-(D-galactosyl)-L-lysine", + "Procollagen 5-(D-galactosyloxy)-L-lysine", + "Procollagen beta-D-galactosyl-L-hydroxylysine" + ] + }, + { + "compound_id": "C04488", + "inchi": "InChI=1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1", + "name": "5-Methyl-5,6,7,8-tetrahydromethanopterin", + "names": [ + "5-Methyl-5,6,7,8-tetrahydromethanopterin", + "5-Methyl-H4MPT", + "5-Methyltetrahydromethanopterin" + ] + }, + { + "compound_id": "C04489", + "inchi": "InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1", + "name": "5-Methyltetrahydropteroyltri-L-glutamate", + "names": [ + "5-Methyltetrahydropteroyltri-L-glutamate" + ] + }, + { + "compound_id": "C04491", + "inchi": "InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1", + "name": "Cyanidin-3-rhamnoglucoside chloride", + "names": [ + "Cyanidin 3-rutinoside", + "Cyanidin-3-rhamnoglucoside chloride", + "Keracyanin" + ] + }, + { + "compound_id": "C04494", + "inchi": "InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", + "name": "Guanosine 3'-diphosphate 5'-triphosphate", + "names": [ + "Guanosine 3'-diphosphate 5'-triphosphate", + "Guanosine 5'-triphosphate,3'-diphosphate" + ] + }, + { + "compound_id": "C04498", + "inchi": "InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+", + "name": "p-Coumaroylagmatine", + "names": [ + "N-(4-Guanidinobutyl)-4-hydroxycinnamamide", + "N-(4-Guanidinobutyl)-4-hydroxycinnamide", + "p-Coumaroylagmatine" + ] + }, + { + "compound_id": "C04500", + "inchi": "InChI=1S/C33H59NO12P2/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-17-26(5)18-11-19-27(6)20-21-43-47(39,40)46-48(41,42)45-33-30(34-28(7)36)32(38)31(37)29(22-35)44-33/h12,14,16,18,27,29-33,35,37-38H,8-11,13,15,17,19-22H2,1-7H3,(H,34,36)(H,39,40)(H,41,42)/b24-14+,25-16+,26-18-/t27?,29-,30-,31-,32-,33-/m1/s1", + "name": "N-Acetyl-D-glucosaminyldiphosphodolichol", + "names": [ + "N-Acetyl-D-glucosaminyl-diphosphodolichol", + "N-Acetyl-D-glucosaminyldiphosphodolichol" + ] + }, + { + "compound_id": "C04501", + "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1", + "name": "N-Acetyl-alpha-D-glucosamine 1-phosphate", + "names": [ + "N-Acetyl-alpha-D-glucosamine 1-phosphate" + ] + }, + { + "compound_id": "C04502", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-glycopeptide", + "names": [ + "N-Acetyl-beta-D-glucosaminyl-glycopeptide" + ] + }, + { + "compound_id": "C04503", + "inchi": "InChI=1S/C4H13N3O7P2/c1-13-16(11,12)14-3-2-6-4(5)7-15(8,9)10/h2-3H2,1H3,(H,11,12)(H5,5,6,7,8,9,10)", + "name": "N'-Phosphoguanidinoethyl methyl phosphate", + "names": [ + "N'-Phosphoguanidinoethyl methyl phosphate" + ] + }, + { + "compound_id": "C04504", + "inchi": null, + "name": "N3'-Acetyl-2-deoxystreptamine antibiotic", + "names": [ + "N3'-Acetyl-2-deoxystreptamine antibiotic" + ] + }, + { + "compound_id": "C04505", + "inchi": null, + "name": "Polysialic acid acetylated at O-7", + "names": [ + "Polysialic acid acetylated at O-7" + ] + }, + { + "compound_id": "C04506", + "inchi": null, + "name": "Protein C-terminal S-farnesyl-L-cysteine", + "names": [ + "Protein C-terminal S-farnesyl-L-cysteine" + ] + }, + { + "compound_id": "C04507", + "inchi": "InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58+,59+,60-,61-/m1/s1", + "name": "alpha-D-Galactosyl-diphosphoundecaprenol", + "names": [ + "alpha-D-Galactosyl-diphosphoundecaprenol" + ] + }, + { + "compound_id": "C04508", + "inchi": "InChI=1S/C12H26O16P2/c13-1-6(15)3-25-30(22,23)26-5-7(4-24-29(19,20)21)27-12-11(18)10(17)9(16)8(2-14)28-12/h6-18H,1-5H2,(H,22,23)(H2,19,20,21)/t6?,7-,8+,9+,10-,11+,12-/m0/s1", + "name": "alpha-D-Glucosylpoly(glycerol phosphate)", + "names": [ + "alpha-D-Glucosylpoly(glycerol phosphate)" + ] + }, + { + "compound_id": "C04509", + "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/b42-23+,43-25+,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-", + "name": "di-trans,poly-cis-Decaprenyl diphosphate", + "names": [ + "di-trans,poly-cis-Decaprenyl diphosphate", + "ditrans,heptacis-Decaprenyl diphosphate" + ] + }, + { + "compound_id": "C04510", + "inchi": null, + "name": "tRNA 3-(3-amino-3-carboxypropyl)-uridine", + "names": [ + "tRNA 3-(3-amino-3-carboxypropyl)-uridine" + ] + }, + { + "compound_id": "C04511", + "inchi": null, + "name": "tRNA(Asp)-O-5''-beta-D-mannosylqueuosine", + "names": [ + "tRNA(Asp)-O-5''-beta-D-mannosylqueuosine" + ] + }, + { + "compound_id": "C04512", + "inchi": null, + "name": "trans,trans-2,3,4,5-Tetradehydroacyl-CoA", + "names": [ + "trans,trans-2,3,4,5-Tetradehydroacyl-CoA" + ] + }, + { + "compound_id": "C04514", + "inchi": "InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10-/m0/s1", + "name": "(1S,2S)-1,2-Dihydronaphthalene-1,2-diol", + "names": [ + "(1S,2S)-1,2-Dihydronaphthalene-1,2-diol", + "trans-1,2-Dihydronaphthalene-1,2-diol" + ] + }, + { + "compound_id": "C04515", + "inchi": null, + "name": "(3S)-3-Hydroxyacyl-N-acylthioethanolamine", + "names": [ + "(3S)-3-Hydroxyacyl-N-acylthioethanolamine" + ] + }, + { + "compound_id": "C04516", + "inchi": "InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1", + "name": "1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose", + "names": [ + "1,2,3,6-Tetra-O-galloyl-beta-D-glucose", + "1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose" + ] + }, + { + "compound_id": "C04517", + "inchi": null, + "name": "1-(1-Alkenyl)-sn-glycero-3-phosphocholine", + "names": [ + "1-(1-Alkenyl)-sn-glycero-3-phosphocholine", + "1-Alkenyl-sn-glycero-3-phosphocholine", + "1-Alkenylglycerophosphocholine", + "1-O-Alk-1-enyl-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C04518", + "inchi": "InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1", + "name": "17alpha,20alpha-Dihydroxypregn-4-en-3-one", + "names": [ + "17alpha,20alpha-Dihydroxypregn-4-en-3-one" + ] + }, + { + "compound_id": "C04520", + "inchi": "InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1", + "name": "1D-myo-Inositol 3,4,5,6-tetrakisphosphate", + "names": [ + "1D-myo-Inositol 3,4,5,6-tetrakisphosphate", + "D-myo-Inositol 3,4,5,6-tetrakisphosphate", + "Inositol 3,4,5,6-tetrakisphosphate" + ] + }, + { + "compound_id": "C04521", + "inchi": "InChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6-,7+,8+,9+,11-/m0/s1", + "name": "2,7-Anhydro-alpha-N-acetylneuraminic acid", + "names": [ + "2,7-Anhydro-alpha-N-acetylneuraminic acid" + ] + }, + { + "compound_id": "C04522", + "inchi": "InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)", + "name": "2-Chloro-2,5-dihydro-5-oxofuran-2-acetate", + "names": [ + "2-Chloro-2,5-dihydro-5-oxofuran-2-acetate", + "2-Chloro-5-oxo-2,5-dihydrofuran-2-acetate", + "5-Chloro-2,5-dihydro-2-oxofuran-5-acetate" + ] + }, + { + "compound_id": "C04524", + "inchi": "InChI=1S/C14H10O8/c15-7-4-10(18)12(13(19)20)11(5-7)22-14(21)6-1-2-8(16)9(17)3-6/h1-5,15-18H,(H,19,20)", + "name": "2-Protocatechoylphloroglucinolcarboxylate", + "names": [ + "2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate", + "2-Protocatechoylphloroglucinolcarboxylate" + ] + }, + { + "compound_id": "C04525", + "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-22,24-25,29H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,27+,28-/m1/s1", + "name": "Fecosterol", + "names": [ + "24-Methylene-5alpha-cholest-8-en-3beta-ol", + "Fecosterol" + ] + }, + { + "compound_id": "C04526", + "inchi": "InChI=1S/C21H42N7O14P/c1-5-6(3-29)15(40-18-10(26-2)17(42-43(35,36)37)11(31)7(4-30)39-18)19(38-5)41-16-9(28-21(24)25)12(32)8(27-20(22)23)13(33)14(16)34/h5-19,26,29-34H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,35,36,37)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14+,15?,16?,17-,18?,19?/m0/s1", + "name": "3'-Deoxydihydrostreptomycin 3''-phosphate", + "names": [ + "3'-Deoxydihydrostreptomycin 3''-phosphate" + ] + }, + { + "compound_id": "C04527", + "inchi": "InChI=1S/C16H12O8/c1-23-15-10(20)5-9(19)11-12(21)13(22)14(24-16(11)15)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3", + "name": "3,3',4',5,7-Pentahydroxy-8-methoxyflavone", + "names": [ + "3,3',4',5,7-Pentahydroxy-8-methoxyflavone" + ] + }, + { + "compound_id": "C04529", + "inchi": "InChI=1S/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1", + "name": "(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate", + "names": [ + "(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate" + ] + }, + { + "compound_id": "C04530", + "inchi": "InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24?,25+,26+,28-,29-/m1/s1", + "name": "4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol", + "names": [ + "4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol", + "4,4-Dimethylcholest-7-ene-3-ol" + ] + }, + { + "compound_id": "C04534", + "inchi": "InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10?,11-,12?/m1/s1", + "name": "6-Phospho-beta-D-glucosyl-(1,4)-D-glucose", + "names": [ + "6-Phospho-beta-D-glucosyl-(1,4)-D-glucose", + "Cellobiose 6-phosphate" + ] + }, + { + "compound_id": "C04535", + "inchi": "InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/b4-3+,8-5-", + "name": "7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate", + "names": [ + "7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate" + ] + }, + { + "compound_id": "C04536", + "inchi": "InChI=1S/C35H35N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3,(H2-,36,37,38,39,40,41);/q-1;+2/p-1/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-17-,33-17-;", + "name": "Magnesium protoporphyrin monomethyl ester", + "names": [ + "Magnesium protoporphyrin IX 13-methyl ester", + "Magnesium protoporphyrin monomethyl ester", + "Magnesium-protoporphyrin IX 13-monomethyl ester", + "Mg-Protoporphyrin IX 13-monomethyl ester" + ] + }, + { + "compound_id": "C04537", + "inchi": null, + "name": "N,N'-Diacetylchitobiosyldiphosphodolichol", + "names": [ + "Chitobiosyldiphosphodolichol", + "N,N'-Diacetylchitobiosyldiphosphodolichol" + ] + }, + { + "compound_id": "C04539", + "inchi": null, + "name": "N-Acetyl-D-glucosaminyllipopolysaccharide", + "names": [ + "N-Acetyl-D-glucosaminyllipopolysaccharide" + ] + }, + { + "compound_id": "C04540", + "inchi": "InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1", + "name": "N4-(Acetyl-beta-D-glucosaminyl)asparagine", + "names": [ + "1-beta-Aspartyl-N-acetyl-D-glucosaminylamine", + "N4-(Acetyl-beta-D-glucosaminyl)asparagine", + "N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine" + ] + }, + { + "compound_id": "C04541", + "inchi": "InChI=1S/C18H20N4O6/c1-28-18(23)17(19)3-2-12-20(13-4-8-15(9-5-13)21(24)25)14-6-10-16(11-7-14)22(26)27/h4-11,17H,2-3,12,19H2,1H3/t17-/m0/s1", + "name": "N5-Dinitrophenyl-L-ornithine methyl ester", + "names": [ + "N5-Dinitrophenyl-L-ornithine methyl ester" + ] + }, + { + "compound_id": "C04542", + "inchi": null, + "name": "Protein beta-D-galactosyl-L-hydroxylysine", + "names": [ + "Protein beta-D-galactosyl-L-hydroxylysine" + ] + }, + { + "compound_id": "C04543", + "inchi": "InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)", + "name": "Buthionine sulfoximine", + "names": [ + "Buthionine sulfoximine", + "S-Butyl-DL-homocysteine-[S,R]-sulfoximine" + ] + }, + { + "compound_id": "C04544", + "inchi": "InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1", + "name": "gamma-L-Glutamyl-L-cysteinyl-beta-alanine", + "names": [ + "gamma-L-Glutamyl-L-cysteinyl-beta-alanine" + ] + }, + { + "compound_id": "C04545", + "inchi": null, + "name": "tRNA containing 2'-O-methylguanosine", + "names": [ + "tRNA containing 2'-O-methylguanosine" + ] + }, + { + "compound_id": "C04546", + "inchi": "InChI=1S/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m1/s1", + "name": "(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate", + "names": [ + "(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate" + ] + }, + { + "compound_id": "C04547", + "inchi": "InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+", + "name": "1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene", + "names": [ + "1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene" + ] + }, + { + "compound_id": "C04548", + "inchi": "InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3", + "name": "Synephrine", + "names": [ + "(+/-)-Synephrine", + "1-(4-Hydroxyphenyl)-2-(methylamino)ethanol", + "Synephrine" + ] + }, + { + "compound_id": "C04549", + "inchi": null, + "name": "1-Phosphatidyl-1D-myo-inositol 3-phosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3'-phosphate)", + "1-Phosphatidyl-1D-myo-inositol 3-phosphate" + ] + }, + { + "compound_id": "C04552", + "inchi": "InChI=1S/C18H16O8/c1-23-12-7-11-13(14(21)17(12)24-2)15(22)18(25-3)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,19-21H,1-3H3", + "name": "3',4',5-Trihydroxy-3,6,7-trimethoxyflavone", + "names": [ + "3',4',5-Trihydroxy-3,6,7-trimethoxyflavone" + ] + }, + { + "compound_id": "C04553", + "inchi": "InChI=1S/C7H6O6/c8-5(9)2-4-3(7(11)12)1-6(10)13-4/h1,4H,2H2,(H,8,9)(H,11,12)", + "name": "3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", + "names": [ + "3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate", + "4-Carboxy-2,5-dihydro-2-oxofuran-5-acetate" + ] + }, + { + "compound_id": "C04554", + "inchi": "InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20?,21?,22?,23-,24?,26+,27-/m1/s1", + "name": "3alpha,7alpha-Dihydroxy-5beta-cholestanate", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-cholestanate", + "3alpha,7alpha-Dihydroxy-5beta-cholestanoate" + ] + }, + { + "compound_id": "C04555", + "inchi": "InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1", + "name": "Dehydroepiandrosterone sulfate", + "names": [ + "3beta-Hydroxyandrost-5-en-17-one 3-sulfate", + "DHEA sulfate", + "Dehydroepiandrosterone sulfate" + ] + }, + { + "compound_id": "C04556", + "inchi": "InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)", + "name": "4-Amino-2-methyl-5-phosphomethylpyrimidine", + "names": [ + "4-Amino-2-methyl-5-phosphomethylpyrimidine", + "4-Amino-5-phosphomethyl-2-methylpyrimidine" + ] + }, + { + "compound_id": "C04558", + "inchi": "InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)", + "name": "3-Methylmuconolactone", + "names": [ + "3-Methylmuconolactone", + "4-Carboxymethyl-3-methylbut-2-en-1,4-olide" + ] + }, + { + "compound_id": "C04559", + "inchi": "InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)", + "name": "4-Methylmuconolactone", + "names": [ + "4-Carboxymethyl-4-methylbut-2-en-1,4-olide", + "4-Methylmuconolactone" + ] + }, + { + "compound_id": "C04561", + "inchi": "InChI=1S/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/t9-,10+/m1/s1", + "name": "Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate", + "names": [ + "Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate" + ] + }, + { + "compound_id": "C04562", + "inchi": "InChI=1S/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/t9-,10-/m0/s1", + "name": "Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate", + "names": [ + "Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate" + ] + }, + { + "compound_id": "C04563", + "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m1/s1", + "name": "D-myo-Inositol 1,2,4,5,6-pentakisphosphate", + "names": [ + "1D-myo-Inositol 1,2,4,5,6-pentakisphosphate", + "D-myo-Inositol 1,2,4,5,6-pentakisphosphate", + "Inositol 1,2,4,5,6-pentakisphosphate", + "myo-Inositol 1,2,4,5,6-pentakisphosphate" + ] + }, + { + "compound_id": "C04564", + "inchi": null, + "name": "[Isocitrate dehydrogenase (NADP+)] phosphate", + "names": [ + "[Isocitrate dehydrogenase (NADP+)] phosphate" + ] + }, + { + "compound_id": "C04565", + "inchi": null, + "name": "Low-density lipoprotein O-phospho-L-serine", + "names": [ + "Low-density lipoprotein O-phospho-L-serine" + ] + }, + { + "compound_id": "C04566", + "inchi": null, + "name": "Membrane-derived-oligosaccharide D-glucose", + "names": [ + "Membrane-derived-oligosaccharide D-glucose" + ] + }, + { + "compound_id": "C04570", + "inchi": null, + "name": "Reduced electron-transferring flavoprotein", + "names": [ + "Reduced electron-transferring flavoprotein" + ] + }, + { + "compound_id": "C04572", + "inchi": "InChI=1S/C12H20N4O8S/c1-16(24)12(23)25-5-7(10(20)14-4-9(18)19)15-8(17)3-2-6(13)11(21)22/h6-7,24H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t6-,7-/m0/s1", + "name": "S-(N-Hydroxy-N-methylcarbamoyl)glutathione", + "names": [ + "S-(N-Hydroxy-N-methylcarbamoyl)glutathione" + ] + }, + { + "compound_id": "C04573", + "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1", + "name": "UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate", + "names": [ + "UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate", + "UDP-N-acetyl-D-glucosaminuronate" + ] + }, + { + "compound_id": "C04574", + "inchi": "InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-", + "name": "di-trans,poly-cis-Undecaprenyl diphosphate", + "names": [ + "Bactoprenyl diphosphate", + "Undecaprenyl diphosphate", + "di-trans,poly-cis-Undecaprenyl diphosphate", + "ditrans,octacis-Undecaprenyl diphosphate" + ] + }, + { + "compound_id": "C04575", + "inchi": "InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1", + "name": "(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate", + "names": [ + "(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate", + "2,3-Diketo-L-gulonate" + ] + }, + { + "compound_id": "C04576", + "inchi": "InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1", + "name": "1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose", + "names": [ + "1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose", + "Pentagalloyl-beta-D-glucose", + "Pentagalloylglucose" + ] + }, + { + "compound_id": "C04577", + "inchi": "InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+", + "name": "15-OxoETE", + "names": [ + "(5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoic acid", + "15-Oxo-5,8,11-cis-13-trans-eicosatetraenoate", + "15-Oxo-5,8,11-cis-13-trans-icosatetraenoate", + "15-OxoETE" + ] + }, + { + "compound_id": "C04578", + "inchi": "InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1", + "name": "16-Methoxy-2,3-dihydro-3-hydroxytabersonine", + "names": [ + "16-Methoxy-2,3-dihydro-3-hydroxytabersonine" + ] + }, + { + "compound_id": "C04579", + "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6-/m1/s1", + "name": "Inositol 1,2,3,5,6-pentakisphosphate", + "names": [ + "1D-myo-Inositol 1,2,3,5,6-pentakisphosphate", + "1L-myo-Inositol 1,2,3,4,5-pentakisphosphate", + "Inositol 1,2,3,5,6-pentakisphosphate", + "myo-Inositol 1,2,3,5,6-pentakisphosphate" + ] + }, + { + "compound_id": "C04580", + "inchi": "InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1", + "name": "2-Deoxy-2,3-dehydro-N-acetylneuraminic acid", + "names": [ + "2-Deoxy-2,3-dehydro-N-acetylneuraminic acid" + ] + }, + { + "compound_id": "C04581", + "inchi": "InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3", + "name": "3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone", + "names": [ + "3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone" + ] + }, + { + "compound_id": "C04582", + "inchi": "InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1", + "name": "S-Methyl-5-thio-D-ribulose 1-phosphate", + "names": [ + "S-Methyl-5-thio-D-ribulose 1-phosphate" + ] + }, + { + "compound_id": "C04583", + "inchi": "InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/t4-,6-,7-,9-,10-/m1/s1", + "name": "6-Hydroxyl-1,6-dihydropurine ribonucleoside", + "names": [ + "(6R)-1,6-dihydro-Inosine", + "6-Hydroxyl-1,6-dihydropurine ribonucleoside" + ] + }, + { + "compound_id": "C04584", + "inchi": "InChI=1S/C7H5NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,8H,(H,10,11)", + "name": "6-Imino-5-oxocyclohexa-1,3-dienecarboxylate", + "names": [ + "6-Imino-5-oxocyclohexa-1,3-dienecarboxylate" + ] + }, + { + "compound_id": "C04586", + "inchi": "InChI=1S/C9H16O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1", + "name": "Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate", + "names": [ + "Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate" + ] + }, + { + "compound_id": "C04587", + "inchi": "InChI=1S/C9H16O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1", + "name": "Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate", + "names": [ + "Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate" + ] + }, + { + "compound_id": "C04589", + "inchi": "InChI=1S/C17H27N3O23P2S2/c1-6(21)18-10-12(24)14(42-47(34,35)36)8(5-38-46(31,32)33)40-16(10)41-45(29,30)43-44(27,28)37-4-7-11(23)13(25)15(39-7)20-3-2-9(22)19-17(20)26/h2-3,7-8,10-16,23-25H,4-5H2,1H3,(H,18,21)(H,27,28)(H,29,30)(H,19,22,26)(H,31,32,33)(H,34,35,36)/t7-,8-,10-,11-,12-,13-,14+,15-,16-/m1/s1", + "name": "UDP-N-acetyl-D-galactosamine 4,6-bissulfate", + "names": [ + "UDP-N-acetyl-D-galactosamine 4,6-bissulfate" + ] + }, + { + "compound_id": "C04590", + "inchi": "InChI=1S/C23H41O6P/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-28-17-23(24)18-29-30(25,26)27/h9,11,13,15,23-24H,6-8,10,12,14,16-18H2,1-5H3,(H2,25,26,27)/b20-11+,21-13+,22-15+/t23-/m0/s1", + "name": "sn-3-O-(Geranylgeranyl)glycerol 1-phosphate", + "names": [ + "sn-3-O-(Geranylgeranyl)glycerol 1-phosphate" + ] + }, + { + "compound_id": "C04592", + "inchi": "InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3/t6-,7+/m0/s1", + "name": "Toluene-cis-dihydrodiol", + "names": [ + "(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol", + "Toluene-cis-dihydrodiol" + ] + }, + { + "compound_id": "C04593", + "inchi": "InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1", + "name": "(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate", + "names": [ + "(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate", + "Methylisocitrate", + "Methylisocitric acid" + ] + }, + { + "compound_id": "C04594", + "inchi": "InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,14,16H,2-7,9-10,12-13,15H2,1H3,(H,19,20)/b11-8-,17-14+/t16-/m1/s1", + "name": "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid", + "names": [ + "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoate", + "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid", + "13(S)-EOD" + ] + }, + { + "compound_id": "C04596", + "inchi": "InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H", + "name": "1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene", + "names": [ + "1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethylene", + "1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene", + "DDE" + ] + }, + { + "compound_id": "C04597", + "inchi": "InChI=1S/C19H24O6/c1-22-15-7-5-12(9-17(15)24-3)14(11-20)19(21)13-6-8-16(23-2)18(10-13)25-4/h5-10,14,19-21H,11H2,1-4H3", + "name": "1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol", + "names": [ + "1,2-Bis(3,4-dimethoxyphenyl)-1,3-propanediol", + "1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol" + ] + }, + { + "compound_id": "C04598", + "inchi": null, + "name": "2-Acetyl-1-alkyl-sn-glycero-3-phosphocholine", + "names": [ + "2-Acetyl-1-alkyl-sn-glycero-3-phosphocholine", + "PAF", + "Platelet-activating factor" + ] + }, + { + "compound_id": "C04599", + "inchi": "InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3", + "name": "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine", + "names": [ + "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine", + "MPTP" + ] + }, + { + "compound_id": "C04604", + "inchi": "InChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)", + "name": "3-Hydroxy-2-methylpyridine-4,5-dicarboxylate", + "names": [ + "3-Hydroxy-2-methylpyridine-4,5-dicarboxylate" + ] + }, + { + "compound_id": "C04606", + "inchi": "InChI=1S/C16H14O4S2/c1-11(17)19-10-13(20-12(2)18)5-6-14-7-8-16(22-14)15-4-3-9-21-15/h3-4,7-9,13H,10H2,1-2H3", + "name": "5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene", + "names": [ + "5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene" + ] + }, + { + "compound_id": "C04608", + "inchi": "InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1", + "name": "Apigenin 7-O-beta-D-glucoside", + "names": [ + "7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one", + "7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone", + "Apigenin 7-O-beta-D-glucoside", + "Apigenin 7-O-glucoside", + "Apigetrin", + "Cosmetin", + "Cosmosiin" + ] + }, + { + "compound_id": "C04611", + "inchi": "InChI=1S/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-16(28)14(26)19(15(27)17(20)29)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2/t11-,13-,14-,15+,16-,17+,18+,19-,20?,21?/m0/s1", + "name": "Indol-3-ylacetyl-myo-inositol L-arabinoside", + "names": [ + "Indol-3-ylacetyl-myo-inositol L-arabinoside" + ] + }, + { + "compound_id": "C04613", + "inchi": "InChI=1S/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10,12-16,24-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8-,10-,12-,13-,14-,15-,16-/m1/s1", + "name": "UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose", + "names": [ + "UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose" + ] + }, + { + "compound_id": "C04614", + "inchi": null, + "name": "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2", + "names": [ + "3-(alpha-D-Mannosyl)-beta-D-mannosyl-R", + "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2" + ] + }, + { + "compound_id": "C04615", + "inchi": "InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19-/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43?,44-,45?,46-,47-/m1/s1", + "name": "alpha-D-Mannosylchitobiosyldiphosphodolichol", + "names": [ + "alpha-D-Mannosylchitobiosyldiphosphodolichol" + ] + }, + { + "compound_id": "C04617", + "inchi": "InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m0/s1", + "name": "(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", + "names": [ + "(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate", + "D-erythro-Isocitric acid" + ] + }, + { + "compound_id": "C04618", + "inchi": null, + "name": "(3R)-3-Hydroxybutanoyl-[acyl-carrier protein]", + "names": [ + "(3R)-3-Hydroxybutanoyl-[acyl-carrier protein]", + "(R)-3-Hydroxybutanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04619", + "inchi": null, + "name": "(3R)-3-Hydroxydecanoyl-[acyl-carrier protein]", + "names": [ + "(3R)-3-Hydroxydecanoyl-[acyl-carrier protein]", + "(R)-3-Hydroxydecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04620", + "inchi": null, + "name": "(3R)-3-Hydroxyoctanoyl-[acyl-carrier protein]", + "names": [ + "(3R)-3-Hydroxyoctanoyl-[acyl-carrier protein]", + "(R)-3-Hydroxyoctanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04621", + "inchi": "InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6+", + "name": "(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide", + "names": [ + "(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide" + ] + }, + { + "compound_id": "C04622", + "inchi": "InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-", + "name": "(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide", + "names": [ + "(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide" + ] + }, + { + "compound_id": "C04623", + "inchi": "InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H", + "name": "DDT", + "names": [ + "1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane", + "1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethane", + "Clofenotane", + "DDT", + "Dichlorodiphenyltrichloroethane" + ] + }, + { + "compound_id": "C04625", + "inchi": "InChI=1S/C6H4Cl2O4/c7-3-1-6(8,2-4(9)10)12-5(3)11/h1H,2H2,(H,9,10)", + "name": "2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate", + "names": [ + "2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate", + "3,5-Dichloro-2,5-dihydro-2-oxofuran-5-acetate" + ] + }, + { + "compound_id": "C04627", + "inchi": null, + "name": "D-Galactosyl-N-acetyl-alpha-D-galactosaminide", + "names": [ + "D-Galactosyl-N-acetyl-alpha-D-galactosaminide" + ] + }, + { + "compound_id": "C04628", + "inchi": "InChI=1/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1/f/h12,14,16-17H", + "name": "Coenzyme B", + "names": [ + "Coenzyme B" + ] + }, + { + "compound_id": "C04630", + "inchi": "InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8-,10-,11-,12-,13+,14-,15-,16-/m1/s1", + "name": "UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose", + "names": [ + "UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose" + ] + }, + { + "compound_id": "C04631", + "inchi": "InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1", + "name": "UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine", + "names": [ + "UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine", + "UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine", + "UDP-N-acetylglucosamine enolpyruvate", + "UDP-N-acetylglucosamine-3-O-pyruvateether" + ] + }, + { + "compound_id": "C04632", + "inchi": null, + "name": "[Hydroxymethylglutaryl-CoA reductase (NADPH)]", + "names": [ + "[Hydroxymethylglutaryl-CoA reductase (NADPH)]" + ] + }, + { + "compound_id": "C04633", + "inchi": null, + "name": "(3R)-3-Hydroxypalmitoyl-[acyl-carrier protein]", + "names": [ + "(3R)-3-Hydroxyhexadecanoyl-[acyl-carrier protein]", + "(3R)-3-Hydroxypalmitoyl-[acyl-carrier protein]", + "(R)-3-Hydroxyhexadecanoyl-[acyl-carrier protein]", + "(R)-3-Hydroxypalmitoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04634", + "inchi": "InChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)", + "name": "1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate", + "names": [ + "1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate", + "1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate" + ] + }, + { + "compound_id": "C04635", + "inchi": null, + "name": "1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine", + "names": [ + "1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine", + "1-Alkenylglycerophosphoethanolamine" + ] + }, + { + "compound_id": "C04636", + "inchi": null, + "name": "1-Acyl-2-linoleoyl-sn-glycero-3-phosphocholine", + "names": [ + "1-Acyl-2-linoleoyl-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C04637", + "inchi": null, + "name": "1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate)", + "1-Phosphatidyl-1D-myo-inositol 4,5-bisphosphate", + "1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate", + "Phosphatidyl-myo-inositol 4,5-bisphosphate", + "Phosphatidylinositol-4,5-bisphosphate" + ] + }, + { + "compound_id": "C04638", + "inchi": "InChI=1S/C43H73O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H2,44,45,46)/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-/m0/s1", + "name": "2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate", + "names": [ + "2,3-Bis-O-(geranylgeranyl)-sn-glycerol-1-phosphate", + "2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate", + "2,3-Digeranylgeranyl sn-glycerol 1-phosphate" + ] + }, + { + "compound_id": "C04639", + "inchi": "InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "2,4-Dioxotetrahydropyrimidine D-ribonucleotide", + "names": [ + "2,4-Dioxotetrahydropyrimidine D-ribonucleotide" + ] + }, + { + "compound_id": "C04640", + "inchi": "InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1", + "name": "2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine", + "names": [ + "1-(5'-Phosphoribosyl)-N-formylglycinamidine", + "2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine", + "2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine", + "5'-Phosphoribosyl-N-formylglycinamidine", + "5'-Phosphoribosylformylglycinamidine" + ] + }, + { + "compound_id": "C04641", + "inchi": "InChI=1S/C9H19O11P/c10-1-4(3-18-21(15,16)17)19-9-8(14)7(13)6(12)5(2-11)20-9/h4-14H,1-3H2,(H2,15,16,17)/t4?,5-,6+,7+,8-,9+/m1/s1", + "name": "2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate", + "names": [ + "2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate" + ] + }, + { + "compound_id": "C04642", + "inchi": "InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2+", + "name": "2-Hydroxy-5-carboxymethylmuconate semialdehyde", + "names": [ + "2-Hydroxy-5-carboxymethylmuconate semialdehyde", + "5-Carboxymethyl-2-hydroxymuconate semialdehyde", + "5-Carboxymethyl-2-hydroxymuconic semialdehyde" + ] + }, + { + "compound_id": "C04643", + "inchi": "InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,20-,22-,23-,24+/m0/s1", + "name": "3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate", + "names": [ + "3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate" + ] + }, + { + "compound_id": "C04644", + "inchi": "InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26?,27?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", + "name": "3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA" + ] + }, + { + "compound_id": "C04645", + "inchi": null, + "name": "6-(D-Glucose-1-phospho)-D-mannosylglycoprotein", + "names": [ + "6-(D-Glucose-1-phospho)-D-mannosylglycoprotein", + "Glycoprotein 6-(D-glucose-1-phospho)-D-mannose" + ] + }, + { + "compound_id": "C04646", + "inchi": "InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1", + "name": "6-Thioinosine-5'-monophosphate", + "names": [ + "6-Thioinosine-5'-monophosphate", + "9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine" + ] + }, + { + "compound_id": "C04648", + "inchi": null, + "name": "alpha-L-Fucosyl-1,2-beta-D-galactoside", + "names": [ + "Glycolipid alpha-L-fucosyl-1,2-beta-D-galactose", + "Glycoprotein alpha-L-fucosyl-(1,2)-D-galactose", + "alpha-L-Fucosyl-(1->2)-D-galactosyl-R", + "alpha-L-Fucosyl-1,2-beta-D-galactoside" + ] + }, + { + "compound_id": "C04649", + "inchi": null, + "name": "Heparan sulfate N-acetyl-alpha-D-glucosaminide", + "names": [ + "Heparan sulfate N-acetyl-alpha-D-glucosaminide" + ] + }, + { + "compound_id": "C04650", + "inchi": "InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1", + "name": "L-2-Amino-4-(hydroxymethylphosphinyl)butanoate", + "names": [ + "L-2-Amino-4-(hydroxymethylphosphinyl)butanoate" + ] + }, + { + "compound_id": "C04652", + "inchi": "InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29?,30?,31-,32-,36-,37-,38-,39-,40-,41-,42-/m1/s1", + "name": "UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine", + "names": [ + "UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine", + "UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine", + "UDP-2,3-bis(beta-hydroxymyristoyl)-D-glucosamine" + ] + }, + { + "compound_id": "C04654", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1", + "name": "(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", + "names": [ + "(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", + "15-oxo-prostaglandin e1" + ] + }, + { + "compound_id": "C04655", + "inchi": "InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1", + "name": "(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate", + "names": [ + "(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate" + ] + }, + { + "compound_id": "C04656", + "inchi": null, + "name": "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R", + "names": [ + "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C04657", + "inchi": null, + "name": "1,4-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R", + "names": [ + "1,4-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R", + "1,4-beta-Galactosyl-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C04660", + "inchi": "InChI=1S/C21H43N7O17P2/c1-5-6(3-29)14(42-18-10(26-2)17(45-47(37,38)39)11(31)7(4-30)41-18)19(40-5)43-15-8(27-20(22)23)12(32)9(28-21(24)25)16(13(15)33)44-46(34,35)36/h5-19,26,29-33H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,34,35,36)(H2,37,38,39)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14?,15?,16-,17-,18?,19?/m0/s1", + "name": "3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate", + "names": [ + "3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate" + ] + }, + { + "compound_id": "C04661", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19+,20+,22-,23-,24+/m0/s1", + "name": "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate", + "names": [ + "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate", + "3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid" + ] + }, + { + "compound_id": "C04662", + "inchi": null, + "name": "4-Deoxy-alpha-L-erythro-hex-4-enopyranuronoside", + "names": [ + "4-Deoxy-alpha-L-erythro-hex-4-enopyranuronoside" + ] + }, + { + "compound_id": "C04663", + "inchi": "InChI=1/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1/f/h11H2", + "name": "Acadesine", + "names": [ + "Acadesine" + ] + }, + { + "compound_id": "C04665", + "inchi": "InChI=1S/C60H86N13O15P.CH3.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54;;/h10,14,20,22,27-28,32-35,39,50-51,54-55,74,83H,11-13,15-19,21,23-26H2,1-9H3,(H16,61,62,63,64,65,66,67,69,70,71,72,75,76,77,78,79,80,81,82,84,85);1H3;/q;;+2/p-2/t28?,32-,33-,34-,35+,39-,50?,51-,54?,55+,57-,58+,59+,60+;;/m1../s1", + "name": "Co-Methyl-Co-5-hydroxybenzimidazolylcobamide", + "names": [ + "Co-Methyl-Co-5-hydroxybenzimidazolylcobamide" + ] + }, + { + "compound_id": "C04666", + "inchi": "InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1", + "name": "D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate", + "names": [ + "D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate", + "D-erythro-Imidazole-glycerol 3-phosphate", + "D-erythro-Imidazole-glycerol phosphate" + ] + }, + { + "compound_id": "C04667", + "inchi": null, + "name": "N-Acetyl-D-glucosaminyl-poly(ribitol phosphate)", + "names": [ + "N-Acetyl-D-glucosaminyl-poly(ribitol phosphate)" + ] + }, + { + "compound_id": "C04670", + "inchi": "InChI=1S/C7H10O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-5,8H,1-3H2,(H,10,11)/t4-,5-/m0/s1", + "name": "(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate", + "names": [ + "(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate" + ] + }, + { + "compound_id": "C04671", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1", + "name": "(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate", + "names": [ + "(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate" + ] + }, + { + "compound_id": "C04672", + "inchi": "InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14-/t16-/m0/s1", + "name": "(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid", + "names": [ + "(9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate", + "(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate", + "(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid", + "12,13(S)-EOT", + "12,13(S)-EOTrE" + ] + }, + { + "compound_id": "C04673", + "inchi": "InChI=1S/C7H13N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-4,6,11-13,15H,(H4,8,9,10)/t1-,2-,3+,4+,6-/m0/s1", + "name": "1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol", + "names": [ + "1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol", + "Amidino-3-keto-scyllo-inosamine" + ] + }, + { + "compound_id": "C04674", + "inchi": "InChI=1S/C12H21NO17S2/c14-4-2(1-27-32(24,25)26)28-11(20)3(13-31(21,22)23)8(4)29-12-7(17)5(15)6(16)9(30-12)10(18)19/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5+,6+,7-,8-,9+,11-,12-/m1/s1", + "name": "3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine", + "names": [ + "3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine" + ] + }, + { + "compound_id": "C04675", + "inchi": "InChI=1S/C32H52N7O20P3S/c1-18(2)6-5-8-32(47,12-21(41)42)13-22(43)63-11-10-34-20(40)7-9-35-29(46)26(45)31(3,4)15-56-62(53,54)59-61(51,52)55-14-19-25(58-60(48,49)50)24(44)30(57-19)39-17-38-23-27(33)36-16-37-28(23)39/h6,16-17,19,24-26,30,44-45,47H,5,7-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t19-,24-,25-,26?,30-,32?/m1/s1", + "name": "3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA", + "names": [ + "3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA" + ] + }, + { + "compound_id": "C04676", + "inchi": "InChI=1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1", + "name": "Testololactone", + "names": [ + "3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone", + "Testololactone" + ] + }, + { + "compound_id": "C04677", + "inchi": "InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1", + "name": "1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide", + "names": [ + "1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide", + "5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide", + "5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide", + "5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide", + "5-Amino-1--d-ribosyl-4-imidazolecarboxamide 5'-phosphate", + "5-Aminoimidazole-4-carboxamide ribotide", + "5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole", + "5-amino-1--d-ribosyl-4-imidazolecarboxamide 5'-phosphate", + "AICAR" + ] + }, + { + "compound_id": "C04678", + "inchi": "", + "name": "Dolichyl N-acetyl-alpha-D-glucosaminyl phosphate", + "names": [ + "Dolichyl N-acetyl-alpha-D-glucosaminyl phosphate" + ] + }, + { + "compound_id": "C04679", + "inchi": null, + "name": "Protein N6-[(R)-4-amino-2-hydroxybutyl]-L-lysine", + "names": [ + "Protein N6-[(R)-4-amino-2-hydroxybutyl]-L-lysine", + "[eIF5A-precursor]-hypusine" + ] + }, + { + "compound_id": "C04680", + "inchi": null, + "name": "Retinyl-ester-(cellular-retinol-binding-protein)", + "names": [ + "Retinyl-ester-(cellular-retinol-binding-protein)" + ] + }, + { + "compound_id": "C04681", + "inchi": null, + "name": "[Acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "names": [ + "Biotin-[acetyl-CoA carboxylase]", + "Biotin-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "Holo-[acetyl-CoA carboxylase]", + "Holo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "[Acetyl-CoA:carbon-dioxide ligase (ADP-forming)]" + ] + }, + { + "compound_id": "C04682", + "inchi": null, + "name": "[Methylmalonyl-CoA:pyruvate carboxytransferase]", + "names": [ + "Biotin-[methylmalonyl-CoA-carboxyltransferase]", + "Biotin-[methylmalonyl-CoA:pyruvate carboxytransferase]", + "Holo-[methylmalonyl-CoA-carboxyltransferase]", + "Holo-[methylmalonyl-CoA:pyruvate carboxytransferase]", + "[Methylmalonyl-CoA:pyruvate carboxytransferase]" + ] + }, + { + "compound_id": "C04683", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-R", + "names": [ + "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-R" + ] + }, + { + "compound_id": "C04684", + "inchi": "InChI=1S/C16H16NO6P/c18-15(9-12-5-2-1-3-6-12)17-11-24(21,22)23-14-8-4-7-13(10-14)16(19)20/h1-8,10H,9,11H2,(H,17,18)(H,19,20)(H,21,22)", + "name": "m-Carboxyphenyl phenylacetamidomethylphosphonate", + "names": [ + "m-Carboxyphenyl phenylacetamidomethylphosphonate" + ] + }, + { + "compound_id": "C04685", + "inchi": "InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18?/m0/s1", + "name": "(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate", + "names": [ + "(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate", + "PGA1", + "Prostaglandin A1" + ] + }, + { + "compound_id": "C04686", + "inchi": "InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/b14-12+/t17-,18+/m0/s1", + "name": "(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate", + "names": [ + "(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate", + "Prostaglandin C1" + ] + }, + { + "compound_id": "C04687", + "inchi": "InChI=1S/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)/t4-,5-,6+/m0/s1", + "name": "(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate", + "names": [ + "(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate" + ] + }, + { + "compound_id": "C04688", + "inchi": null, + "name": "(3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]", + "names": [ + "(3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]", + "(R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]", + "(r)-3-hydroxytetradecanoyl-[acyl-carrier-protein]", + "HMA", + "beta-Hydroxymyristyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C04690", + "inchi": "InChI=1S/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)/b5-2-", + "name": "2-(Hydroxymethyl)-3-(acetamidomethylene)succinate", + "names": [ + "2-(Acetamidomethylene)-3-(hydroxymethyl)succinate", + "2-(Hydroxymethyl)-3-(acetamidomethylene)succinate" + ] + }, + { + "compound_id": "C04691", + "inchi": "InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1", + "name": "2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate", + "names": [ + "2-Dahp", + "2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate", + "3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate", + "3-Deoxy-D-arabino-heptulosonic acid 7-phosphate", + "3-Deoxy-arabino-heptulonate 7-phosphate", + "DAHP" + ] + }, + { + "compound_id": "C04692", + "inchi": "InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1", + "name": "2-[3-carboxy-3-(methylammonio)propyl]-L-histidine", + "names": [ + "2-[3-carboxy-3-(methylammonio)propyl]-L-histidine" + ] + }, + { + "compound_id": "C04695", + "inchi": "InChI=1S/C22H29NO12/c24-7-11-13(26)14(27)19(32)22(33-11)35-21-17(30)15(28)20(16(29)18(21)31)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16+,17-,18+,19-,20-,21?,22?/m1/s1", + "name": "5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside", + "names": [ + "5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside" + ] + }, + { + "compound_id": "C04696", + "inchi": null, + "name": "7-Methylguanosine 5'-triphospho-5'-polynucleotide", + "names": [ + "7-Methylguanosine 5'-triphospho-5'-polynucleotide" + ] + }, + { + "compound_id": "C04698", + "inchi": "InChI=1S/C13H24O10/c1-4-6(15)8(17)10(19)12(21-4)23-11-9(18)7(16)5(3-14)22-13(11)20-2/h4-19H,3H2,1-2H3/t4-,5+,6+,7-,8+,9-,10-,11?,12?,13+/m0/s1", + "name": "Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside", + "names": [ + "Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside" + ] + }, + { + "compound_id": "C04700", + "inchi": "InChI=1S/C34H55N7O24P2/c1-14(28(50)38-17(7-8-22(45)46)30(52)39-18(32(53)54)6-4-5-10-35)36-29(51)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)48)64-67(58,59)65-66(56,57)60-13-20-24(47)26(49)31(62-20)41-11-9-21(44)40-34(41)55/h9,11,14-15,17-20,23-27,31,33,42,47-49H,4-8,10,12-13,35H2,1-3H3,(H,36,51)(H,37,43)(H,38,50)(H,39,52)(H,45,46)(H,53,54)(H,56,57)(H,58,59)(H,40,44,55)/t14-,15+,17+,18-,19+,20+,23+,24+,25+,26+,27+,31+,33+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine" + ] + }, + { + "compound_id": "C04702", + "inchi": "InChI=1S/C40H65N9O26P2/c1-16(32(57)44-18(3)37(61)62)43-35(60)21(8-6-7-12-41)46-25(52)10-9-22(38(63)64)47-33(58)17(2)42-34(59)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)55)74-77(68,69)75-76(66,67)70-15-24-28(54)30(56)36(72-24)49-13-11-26(53)48-40(49)65/h11,13,16-19,21-24,27-31,36,39,50,54-56H,6-10,12,14-15,41H2,1-5H3,(H,42,59)(H,43,60)(H,44,57)(H,45,51)(H,46,52)(H,47,58)(H,61,62)(H,63,64)(H,66,67)(H,68,69)(H,48,53,65)/t16-,17+,18-,19-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,39-/m1/s1", + "name": "UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine", + "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine", + "UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)" + ] + }, + { + "compound_id": "C04703", + "inchi": "InChI=1S/C9H19O11P/c10-1-5-6(12)7(13)8(14)9(20-5)18-2-4(11)3-19-21(15,16)17/h4-14H,1-3H2,(H2,15,16,17)/t4-,5-,6+,7+,8-,9+/m1/s1", + "name": "alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate", + "names": [ + "1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate", + "alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate" + ] + }, + { + "compound_id": "C04706", + "inchi": "InChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)/b3-2+", + "name": "cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", + "names": [ + "cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", + "cis-2-Chlorodienelactone" + ] + }, + { + "compound_id": "C04707", + "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1", + "name": "(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", + "names": [ + "(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoate", + "(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate", + "15-oxo-prostaglandin e2" + ] + }, + { + "compound_id": "C04708", + "inchi": null, + "name": "1-(beta-D-Galactosyl)-2-(2-hydroxyacyl)sphingosine", + "names": [ + "1-(beta-D-Galactosyl)-2-(2-hydroxyacyl)sphingosine" + ] + }, + { + "compound_id": "C04709", + "inchi": "InChI=1S/C21H43N7O17P2/c1-5-6(4-40-46(34,35)36)15(43-18-10(26-2)13(32)11(30)7(3-29)42-18)19(41-5)44-16-8(27-20(22)23)12(31)9(28-21(24)25)17(14(16)33)45-47(37,38)39/h5-19,26,29-33H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,34,35,36)(H2,37,38,39)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15?,16?,17-,18?,19?/m0/s1", + "name": "3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate", + "names": [ + "3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate" + ] + }, + { + "compound_id": "C04711", + "inchi": "InChI=1S/C14H12O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8,11,16H,9H2,1H3", + "name": "5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene", + "names": [ + "5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene" + ] + }, + { + "compound_id": "C04712", + "inchi": "InChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/t11-,14-/m1/s1", + "name": "(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate", + "names": [ + "(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate" + ] + }, + { + "compound_id": "C04713", + "inchi": "InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1", + "name": "N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate", + "names": [ + "Isopentenyl-AMP", + "N6-(Dimethylallyl)adenosine 5'-phosphate", + "N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate" + ] + }, + { + "compound_id": "C04714", + "inchi": null, + "name": "alpha-D-Galactosyl-beta-D-galactosyldiacylglycerol", + "names": [ + "1,3-Diacyl-2-O-(alpha-D-galactosyl(1->4)-O-beta-D-galactosyl)-sn-glycerol", + "alpha-D-Galactosyl-beta-D-galactosyldiacylglycerol" + ] + }, + { + "compound_id": "C04715", + "inchi": "InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1", + "name": "Nuatigenin", + "names": [ + "(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol", + "Nuatigenin" + ] + }, + { + "compound_id": "C04717", + "inchi": "InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1", + "name": "(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid", + "names": [ + "(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate", + "(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid", + "13(S)-HPODE", + "13S-Hydroperoxy-9Z,11E-octadecadienoic acid" + ] + }, + { + "compound_id": "C04718", + "inchi": "InChI=1S/C10H16O3/c1-9(2)7-4-5-10(3,13-9)12-8(11)6-7/h7H,4-6H2,1-3H3", + "name": "1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one", + "names": [ + "1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one" + ] + }, + { + "compound_id": "C04719", + "inchi": "InChI=1S/C20H18O9/c21-7-12-17(25)18(26)19(27)20(29-12)28-11-6-5-10-13(16(11)24)15(23)9-4-2-1-3-8(9)14(10)22/h1-6,12,17-21,24-27H,7H2/t12-,17-,18+,19-,20-/m1/s1", + "name": "1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone", + "names": [ + "1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone" + ] + }, + { + "compound_id": "C04720", + "inchi": "InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3", + "name": "DIMBOA", + "names": [ + "2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one", + "2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one", + "DIMBOA" + ] + }, + { + "compound_id": "C04721", + "inchi": "InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17+,18-,19+,20-,21-,22-,25-,26+/m0/s1", + "name": "3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine", + "names": [ + "3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine" + ] + }, + { + "compound_id": "C04722", + "inchi": "InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19?,20?,21?,22-,23+,24?,26+,27-/m1/s1", + "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oate", + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanate", + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate" + ] + }, + { + "compound_id": "C04724", + "inchi": "InChI=1S/C73H122O21P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-87-95(83,84)94-96(85,86)93-73-68(82)70(63(77)61(47-75)90-73)92-71-67(81)65(79)69(59(13)88-71)91-72-66(80)64(78)62(76)60(46-74)89-72/h24,26,28,30,32,34,36,38,40,42,44,59-82H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,83,84)(H,85,86)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t59-,60+,61+,62+,63-,64-,65-,66-,67+,68+,69?,70-,71-,72?,73+/m0/s1", + "name": "D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid", + "names": [ + "D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid", + "alpha-D-Mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol" + ] + }, + { + "compound_id": "C04725", + "inchi": null, + "name": "Oligosaccharide containing 6-methyl-D-glucose units", + "names": [ + "1,4-alpha-D-Glucooligosaccharide containing 6-O-methyl-D-glucose units", + "Oligosaccharide containing 6-methyl-D-glucose units" + ] + }, + { + "compound_id": "C04726", + "inchi": null, + "name": "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)]", + "names": [ + "[3-Methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring)]", + "[3-Methyl-2-oxobutanoate dehydrogenase (lipoamide)]" + ] + }, + { + "compound_id": "C04727", + "inchi": null, + "name": "[Propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "names": [ + "Biotin-[propionyl-CoA-carboxylase (ATP-hydrolysing)]", + "Biotin-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "Holo-[propionyl-CoA-carboxylase (ATP-hydrolysing)]", + "Holo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "[Propanoyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "[Propionyl-CoA:carbon-dioxide ligase (ADP-forming)]" + ] + }, + { + "compound_id": "C04728", + "inchi": null, + "name": "tRNA containing 5-methylaminomethyl-2-thiouridylate", + "names": [ + "tRNA containing 5-methylaminomethyl-2-thiouridylate", + "tRNA containing mnm5s2U" + ] + }, + { + "compound_id": "C04729", + "inchi": "InChI=1S/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)/b3-2-", + "name": "trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", + "names": [ + "trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide", + "trans-2-Chlorodienelactone" + ] + }, + { + "compound_id": "C04730", + "inchi": null, + "name": "GM3", + "names": [ + "(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide", + "GM3", + "N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide", + "Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer", + "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C04731", + "inchi": "InChI=1S/C12H15NO/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3", + "name": "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide", + "names": [ + "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide" + ] + }, + { + "compound_id": "C04732", + "inchi": "InChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)/t3-,4+,6-/m0/s1", + "name": "5-Amino-6-(1-D-ribitylamino)uracil", + "names": [ + "4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine", + "5-Amino-6-(1-D-ribitylamino)uracil", + "5-amino-6-(D-ribitylamino)uracil", + "6-(1-D-Ribitylamino)-5-amino-2,4-dihydroxypyrimidine", + "6-(1-D-Ribitylamino)-5-aminouracil" + ] + }, + { + "compound_id": "C04733", + "inchi": "InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7+,8-,11+,12-/m0/s1", + "name": "4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate", + "names": [ + "4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate" + ] + }, + { + "compound_id": "C04734", + "inchi": "InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1", + "name": "1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide", + "names": [ + "1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide", + "5'-Phosphoribosyl-5-formamido-4-imidazolecarboxamide", + "5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide", + "5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide", + "FAICAR" + ] + }, + { + "compound_id": "C04735", + "inchi": null, + "name": "Apo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "names": [ + "Apo-[acetyl-CoA carboxylase]", + "Apo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]" + ] + }, + { + "compound_id": "C04736", + "inchi": null, + "name": "Apo-[methylmalonyl-CoA:pyruvate carboxytransferase]", + "names": [ + "Apo-[methylmalonyl-CoA-carboxyltransferase]", + "Apo-[methylmalonyl-CoA:pyruvate carboxytransferase]" + ] + }, + { + "compound_id": "C04737", + "inchi": null, + "name": "Trihexosylceramide", + "names": [ + "D-Galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide", + "Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer", + "Gal-alpha1->4LacCer", + "Globotriosylceramide", + "Trihexosylceramide" + ] + }, + { + "compound_id": "C04738", + "inchi": "InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19?,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1", + "name": "UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine", + "names": [ + "UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine", + "UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine", + "udp-3-o-(3-hydroxytetradecanoyl)-n-acetyl-d-glucosamine" + ] + }, + { + "compound_id": "C04739", + "inchi": "InChI=1S/C23H38N3O25P3/c1-7(28)24-12-16(33)14(31)10(6-44-52(38,39)50-22-19(36)17(34)13(30)8(4-27)47-22)48-21(12)49-54(42,43)51-53(40,41)45-5-9-15(32)18(35)20(46-9)26-3-2-11(29)25-23(26)37/h2-3,8-10,12-22,27,30-36H,4-6H2,1H3,(H,24,28)(H,38,39)(H,40,41)(H,42,43)(H,25,29,37)/t8-,9-,10-,12-,13+,14-,15-,16-,17+,18-,19-,20-,21-,22-/m1/s1", + "name": "UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine", + "names": [ + "UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine" + ] + }, + { + "compound_id": "C04740", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide", + "names": [ + "Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer", + "alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C04741", + "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1", + "name": "Alprostadil", + "names": [ + "(13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate", + "Alprostadil", + "PGE1", + "Prostaglandin E1" + ] + }, + { + "compound_id": "C04742", + "inchi": "InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1", + "name": "(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate", + "names": [ + "(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate", + "(15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate", + "(5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid", + "15(S)-HETE" + ] + }, + { + "compound_id": "C04744", + "inchi": "InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)", + "name": "2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine", + "names": [ + "2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine" + ] + }, + { + "compound_id": "C04746", + "inchi": "InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h9,17-18,20-25,29H,6-8,10-16H2,1-5H3,(H,30,31)/t18-,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1", + "name": "3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate", + "names": [ + "3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate" + ] + }, + { + "compound_id": "C04747", + "inchi": null, + "name": "[Citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]", + "names": [ + "[Citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]" + ] + }, + { + "compound_id": "C04748", + "inchi": null, + "name": "Protein C-terminal S-farnesyl-L-cysteine methyl ester", + "names": [ + "Protein C-terminal S-farnesyl-L-cysteine methyl ester" + ] + }, + { + "compound_id": "C04749", + "inchi": null, + "name": "[[Hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]", + "names": [ + "[[Hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]" + ] + }, + { + "compound_id": "C04750", + "inchi": null, + "name": "beta-D-Galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R", + "names": [ + "Glycoprotein D-galactosyl-1,3-N-acetyl-D-galactosamine", + "beta-D-Galactosyl-1,3-N-acetyl-D-galactosaminyl-R", + "beta-D-Galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04751", + "inchi": "InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1", + "name": "1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate", + "names": [ + "1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole", + "1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole", + "1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate", + "1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate", + "5'-Phosphoribosyl-4-carboxy-5-aminoimidazole", + "5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate", + "5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate" + ] + }, + { + "compound_id": "C04752", + "inchi": "InChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)", + "name": "2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate", + "names": [ + "2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate", + "4-Amino-2-methyl-5-diphosphomethylpyrimidine" + ] + }, + { + "compound_id": "C04755", + "inchi": null, + "name": "Glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose", + "names": [ + "Glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose" + ] + }, + { + "compound_id": "C04756", + "inchi": null, + "name": "O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine", + "names": [ + "1-Alkenyl-2-acylglycerophosphoethanolamine", + "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine", + "Ethanolamineplasmalogen", + "O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine", + "Phosphatidalethanolamine", + "Plasmenylethanolamine" + ] + }, + { + "compound_id": "C04758", + "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+/m1/s1", + "name": "(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate", + "names": [ + "(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate", + "15-Dehydro-prostaglandin D2" + ] + }, + { + "compound_id": "C04759", + "inchi": null, + "name": "1,2-D-Glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen", + "names": [ + "1,2-D-Glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen", + "Procollagen alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine" + ] + }, + { + "compound_id": "C04760", + "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27+,28-,29?,30?,31?,32-,33-,34+,36?,38-,39-,40?,44-,47+,48-/m1/s1", + "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA" + ] + }, + { + "compound_id": "C04763", + "inchi": null, + "name": "Apo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "names": [ + "Apo-[propionyl-CoA-carboxylase (ATP-hydrolysing)]", + "Apo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]" + ] + }, + { + "compound_id": "C04767", + "inchi": "InChI=1S/C14H29N6O11P/c1-3-14(25,2-21)10(24)11(29-3)30-8-4(19-12(15)16)6(22)5(20-13(17)18)9(7(8)23)31-32(26,27)28/h3-11,21-25H,2H2,1H3,(H4,15,16,19)(H4,17,18,20)(H2,26,27,28)/t3-,4-,5+,6-,7-,8?,9-,10-,11?,14+/m0/s1", + "name": "O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate", + "names": [ + "O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate" + ] + }, + { + "compound_id": "C04768", + "inchi": null, + "name": "[Hydroxymethylglutaryl-CoA reductase (NADPH)] phosphate", + "names": [ + "[Hydroxymethylglutaryl-CoA reductase (NADPH)] phosphate" + ] + }, + { + "compound_id": "C04771", + "inchi": "InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1", + "name": "(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate", + "names": [ + "(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate", + "L-Mimosine" + ] + }, + { + "compound_id": "C04772", + "inchi": null, + "name": "1,6-alpha-D-Mannosyl-1,6-alpha-D-mannosyloligosaccharide", + "names": [ + "1,6-alpha-D-Mannosyl-1,6-alpha-D-mannosyloligosaccharide" + ] + }, + { + "compound_id": "C04773", + "inchi": "InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)", + "name": "3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate", + "names": [ + "3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate", + "5-Pyridoxate", + "5-Pyridoxic acid" + ] + }, + { + "compound_id": "C04775", + "inchi": null, + "name": "D-Galactosyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-R", + "names": [ + "D-Galactosyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-R" + ] + }, + { + "compound_id": "C04776", + "inchi": null, + "name": "Peptide beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine", + "names": [ + "Peptide beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine", + "T antigen" + ] + }, + { + "compound_id": "C04778", + "inchi": "InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1", + "name": "N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole", + "names": [ + "N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole", + "alpha-Ribazole 5'-phosphate" + ] + }, + { + "compound_id": "C04779", + "inchi": null, + "name": "rRNA containing a single residue of 2'-O-methyladenosine", + "names": [ + "rRNA containing a single residue of 2'-O-methyladenosine" + ] + }, + { + "compound_id": "C04780", + "inchi": "InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1", + "name": "8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate", + "names": [ + "8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate", + "OPC-8:0" + ] + }, + { + "compound_id": "C04783", + "inchi": "InChI=1S/C8H8O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,5-6,9-10H,(H,11,12)(H,13,14)/t5-,6+", + "name": "cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate", + "names": [ + "Phthalate-4,5-cis-dihydrodiol", + "cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate" + ] + }, + { + "compound_id": "C04785", + "inchi": "InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7-,11-3-,15-12+/t17-/m0/s1", + "name": "13(S)-HPOT", + "names": [ + "(9Z,11E,15Z)-(13S)-13-Hydroperoxyoctadeca-9,11,15-trienoic acid", + "(9Z,11E,15Z)-(13S)-Hydroperoxyoctadeca-9,11,15-trienoate", + "13(S)-HPOT", + "13(S)-HpOTrE", + "13-HPOT" + ] + }, + { + "compound_id": "C04787", + "inchi": "InChI=1S/C33H40O20.ClH/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32;/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37);1H/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+;/m0./s1", + "name": "Cyanidin 3-rutinoside-5-glucoside", + "names": [ + "Cyanidin 3-rutinoside-5-glucoside" + ] + }, + { + "compound_id": "C04789", + "inchi": null, + "name": "Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose", + "names": [ + "Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose" + ] + }, + { + "compound_id": "C04790", + "inchi": null, + "name": "N-Acetyl-beta-D-mannosaminouronosyl-1,4-lipopolysaccharide", + "names": [ + "N-Acetyl-beta-D-mannosaminouronosyl-1,4-lipopolysaccharide" + ] + }, + { + "compound_id": "C04791", + "inchi": null, + "name": "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein", + "names": [ + "beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" + ] + }, + { + "compound_id": "C04792", + "inchi": null, + "name": "1-Acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine", + "names": [ + "1-Acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C04793", + "inchi": "InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1", + "name": "3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione", + "names": [ + "3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione" + ] + }, + { + "compound_id": "C04794", + "inchi": "InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1", + "name": "3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine", + "names": [ + "3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose", + "3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine" + ] + }, + { + "compound_id": "C04796", + "inchi": "InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1", + "name": "4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde", + "names": [ + "4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde" + ] + }, + { + "compound_id": "C04797", + "inchi": "InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(4-11)1-2-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-2+/t6-/m0/s1", + "name": "5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde", + "names": [ + "5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde" + ] + }, + { + "compound_id": "C04798", + "inchi": "InChI=1S/C10H8ClN3O3/c11-8-5(12)4-13-14(10(8)17)6-2-1-3-7(15)9(6)16/h1-4,15-16H,12H2", + "name": "5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone", + "names": [ + "5-Amino-4-chloro-2-(2',3'-dihydroxyphenyl)-3(2H)-pyridazinone", + "5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone", + "Chloridazon catechol" + ] + }, + { + "compound_id": "C04799", + "inchi": null, + "name": "Colominic acid(non-reducing N- or O-acylneuraminyl residue)", + "names": [ + "Colominate", + "Colominic acid(non-reducing N- or O-acylneuraminyl residue)" + ] + }, + { + "compound_id": "C04800", + "inchi": null, + "name": "D-Glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan", + "names": [ + "D-Glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan" + ] + }, + { + "compound_id": "C04801", + "inchi": null, + "name": "[3-Methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "names": [ + "Biotin-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "Biotin-[methylcrotonoyl-CoA-carboxylase]", + "Holo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "Holo-[methylcrotonoyl-CoA-carboxylase]", + "[3-Methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]" + ] + }, + { + "compound_id": "C04802", + "inchi": null, + "name": "m7G(5')pppRm-RNA (mRNA containing a 2'-O-methylpurine cap)", + "names": [ + "m7G(5')pppRm-RNA (mRNA containing a 2'-O-methylpurine cap)" + ] + }, + { + "compound_id": "C04804", + "inchi": "InChI=1S/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)41-15(2)34(57)58)40-31(55)16(3)69-29-25(42-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/t14-,15+,16+,18+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,37+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanine", + "names": [ + "UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala", + "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanine", + "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanine" + ] + }, + { + "compound_id": "C04805", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1", + "name": "5(S)-HETE", + "names": [ + "(6E,8Z,11Z,14Z)-(5S)-5-Hydroxyicosa-6,8,11,14-tetraenoic acid", + "5(S)-HETE", + "5-HETE", + "5-Hydroxyeicosatetraenoate" + ] + }, + { + "compound_id": "C04806", + "inchi": "InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17?,18?,19?,20-,21?,22-,23-,24-,25+,26+,27-,28+,30?,31-,32?/m1/s1", + "name": "17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside", + "names": [ + "17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside" + ] + }, + { + "compound_id": "C04807", + "inchi": "InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)", + "name": "2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine", + "names": [ + "2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate", + "2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine", + "7,8-Dihydropterin pyrophosphate" + ] + }, + { + "compound_id": "C04808", + "inchi": "InChI=1S/C79H132O24P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-104(90,91)103-105(92,93)102-79-72(89)75(68(85)66(49-81)98-79)101-77-70(87)69(86)73(62(14)96-77)99-78-71(88)74(67(84)65(48-80)97-78)100-76-64(83)47-63(82)61(13)95-76/h25,27,29,31,33,35,37,39,41,43,45,61-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,90,91)(H,92,93)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t61-,62+,63-,64-,65-,66-,67-,68+,69+,70-,71+,72-,73?,74?,75+,76?,77+,78?,79-/m1/s1", + "name": "D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid", + "names": [ + "D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid" + ] + }, + { + "compound_id": "C04809", + "inchi": null, + "name": "Membrane-derived-oligosaccharide 6-(glycerophospho)-D-glucose", + "names": [ + "Membrane-derived-oligosaccharide 6-(glycerophospho)-D-glucose" + ] + }, + { + "compound_id": "C04810", + "inchi": null, + "name": "Oligosaccharide with 4-deoxy-alpha-D-gluc-4-enuronosyl group", + "names": [ + "Oligosaccharide with 4-deoxy-alpha-D-galact-4-enuronosyl group", + "Oligosaccharide with 4-deoxy-alpha-D-gluc-4-enuronosyl group" + ] + }, + { + "compound_id": "C04811", + "inchi": "InChI=1S/C12H20N5O9P/c13-6(18)1-2-7(19)16-11-10(14)17(4-15-11)12-9(21)8(20)5(26-12)3-25-27(22,23)24/h4-5,8-9,12,20-21H,1-3,14H2,(H2,13,18)(H,16,19)(H2,22,23,24)/t5-,8-,9-,12-/m1/s1", + "name": "1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole", + "names": [ + "1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole" + ] + }, + { + "compound_id": "C04812", + "inchi": "InChI=1S/C7H17N4O7P/c8-1-3(12)2(11-7(9)10)4(13)5(14)6(1)18-19(15,16)17/h1-6,12-14H,8H2,(H4,9,10,11)(H2,15,16,17)/t1-,2+,3-,4-,5+,6+/m0/s1", + "name": "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phosphate", + "names": [ + "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phosphate" + ] + }, + { + "compound_id": "C04814", + "inchi": "InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24?,25-,26+,27-,28-,29-/m1/s1", + "name": "4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol", + "names": [ + "4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol" + ] + }, + { + "compound_id": "C04815", + "inchi": "InChI=1S/C7H10O4/c8-3-4-1-2-5(9)7(11)6(4)10/h2,4,6,8-10H,1,3H2/t4-,6-/m1/s1", + "name": "5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one", + "names": [ + "5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one", + "5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one" + ] + }, + { + "compound_id": "C04816", + "inchi": null, + "name": "Dephospho-[[hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]", + "names": [ + "Dephospho-[[hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]" + ] + }, + { + "compound_id": "C04817", + "inchi": null, + "name": "Protein alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine", + "names": [ + "Protein alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine" + ] + }, + { + "compound_id": "C04818", + "inchi": null, + "name": "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminylglycopeptide", + "names": [ + "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminylglycopeptide" + ] + }, + { + "compound_id": "C04819", + "inchi": "InChI=1S/C42H74N8O22/c1-6-45-27-34(67-18(4)37(62)46-16(2)36(61)50-20(35(44)60)10-11-25(55)49-21(9-7-8-12-43)38(63)47-17(3)39(64)65)33(24(15-53)68-40(27)66)72-41-26(48-19(5)54)29(57)32(23(14-52)70-41)71-42-31(59)30(58)28(56)22(13-51)69-42/h16-18,20-24,26-34,40-42,45,51-53,56-59,66H,6-15,43H2,1-5H3,(H2,44,60)(H,46,62)(H,47,63)(H,48,54)(H,49,55)(H,50,61)(H,64,65)/t16-,17+,18-,20+,21-,22+,23+,24+,26+,27+,28-,29+,30-,31+,32?,33?,34+,40?,41?,42?/m0/s1", + "name": "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide", + "names": [ + "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide" + ] + }, + { + "compound_id": "C04822", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1", + "name": "8(R)-HPETE", + "names": [ + "(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoate", + "(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyicosa-5,9,11,14-tetraenoate", + "8(R)-HPETE" + ] + }, + { + "compound_id": "C04823", + "inchi": "InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1", + "name": "1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole", + "names": [ + "(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate", + "1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole", + "1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole", + "5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole", + "SAICAR" + ] + }, + { + "compound_id": "C04824", + "inchi": "InChI=1S/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26?,27?,28-,31-,32-,33-,34-/m1/s1", + "name": "2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate", + "names": [ + "2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate", + "2,3-Bis(beta-hydoroxymyristoyl)-beta-D-glucosaminyl 1-phosphate", + "Lipid X" + ] + }, + { + "compound_id": "C04825", + "inchi": null, + "name": "3-beta-D-Galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein", + "names": [ + "3-beta-D-Galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein" + ] + }, + { + "compound_id": "C04827", + "inchi": null, + "name": "Apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "names": [ + "Apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]", + "Apo-[methylcrotonoyl-CoA-carboxylase]" + ] + }, + { + "compound_id": "C04829", + "inchi": null, + "name": "Deacetyl-[citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]", + "names": [ + "Deacetyl-[citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]" + ] + }, + { + "compound_id": "C04830", + "inchi": "InChI=1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)64(75)67(61(47-72)84-68)85-69-66(77)65(76)63(74)60(46-71)83-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64-,65+,66-,67?,68-,69?/m1/s1", + "name": "beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol", + "names": [ + "beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol" + ] + }, + { + "compound_id": "C04831", + "inchi": "InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1", + "name": "DIMBOA-glucoside", + "names": [ + "2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside", + "2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside", + "DIMBOA-glucoside" + ] + }, + { + "compound_id": "C04832", + "inchi": "InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/t10-,12+/m1/s1", + "name": "Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide", + "names": [ + "CoM-S-S-CoB", + "Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide", + "Coenzyme M-HTP heterodisulfide", + "N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine" + ] + }, + { + "compound_id": "C04833", + "inchi": null, + "name": "m7G(5')pppm6Am (mRNA containing an N6,2'-O-dimethyladenosine cap)", + "names": [ + "m7G(5')pppm6Am (mRNA containing an N6,2'-O-dimethyladenosine cap)" + ] + }, + { + "compound_id": "C04834", + "inchi": "InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16+/m1/s1", + "name": "Juvenile hormone II acid", + "names": [ + "(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate", + "(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid", + "(2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid", + "Juvenile hormone II acid" + ] + }, + { + "compound_id": "C04835", + "inchi": "InChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8?/t16-,17-,18-,19+/m1/s1", + "name": "(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate", + "names": [ + "(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate" + ] + }, + { + "compound_id": "C04839", + "inchi": "InChI=1S/C12H20O13S/c13-1-3-8(25-26(18,19)20)10(6(15)11(17)22-3)24-12-7(16)9-5(14)4(23-12)2-21-9/h3-17H,1-2H2,(H,18,19,20)/t3-,4-,5+,6-,7-,8+,9+,10?,11+,12?/m1/s1", + "name": "3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate", + "names": [ + "3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate" + ] + }, + { + "compound_id": "C04840", + "inchi": "InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1", + "name": "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate", + "names": [ + "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate" + ] + }, + { + "compound_id": "C04843", + "inchi": "InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19?/m0/s1", + "name": "(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate", + "names": [ + "(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate", + "(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid", + "Trioxilin A3" + ] + }, + { + "compound_id": "C04844", + "inchi": "InChI=1S/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)/b11-3-,16-6-/t12-,13-,19-/m0/s1", + "name": "3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate", + "names": [ + "3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate" + ] + }, + { + "compound_id": "C04845", + "inchi": null, + "name": "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", + "names": [ + "Ceramidetrihexoside", + "Ceramidetrisaccharide", + "GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", + "GlcNAc-beta1->3LacCer", + "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactocyl-1,4-beta-glucosyl-1,1'-beta-ceramide", + "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", + "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C04847", + "inchi": "InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)16(8(4-24)33-18(9)32)36-20-15(31)17(11(27)7(3-23)35-20)37-19-14(30)13(29)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12-,13+,14-,15-,16?,17?,18-,19?,20?/m1/s1", + "name": "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine", + "names": [ + "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine" + ] + }, + { + "compound_id": "C04848", + "inchi": null, + "name": "Variant-surface-glycoprotein 1,2-dimyristyl-sn-phosphatidylinositol", + "names": [ + "Variant-surface-glycoprotein 1,2-dimyristyl-sn-phosphatidylinositol", + "Variant-surface-glycoprotein 1,2-ditetradecanoyl-sn-phosphatidylinositol" + ] + }, + { + "compound_id": "C04849", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1", + "name": "(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid", + "names": [ + "(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate", + "(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid", + "Hepoxilin A3" + ] + }, + { + "compound_id": "C04850", + "inchi": null, + "name": "1,3-beta-D-Galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl-R", + "names": [ + "1,3-beta-D-Galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C04851", + "inchi": "InChI=1S/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(97)75(56-94)112-86)111-71(16)82(100)88-69(14)81(99)93-74(85(104)105)51-52-76(96)92-73(50-18-19-54-87)83(101)89-68(13)80(98)90-70(15)84(102)103/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,97H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,100)(H,89,101)(H,90,98)(H,91,95)(H,92,96)(H,93,99)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/b58-32+,59-34+,60-36-,61-38-,62-40-,63-42-,64-44-,65-46-,66-48-,67-53-/t68-,69+,70-,71-,73+,74-,75-,77-,78-,79-,86-/m1/s1", + "name": "MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol", + "names": [ + "MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol", + "Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C04853", + "inchi": "InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1", + "name": "20-OH-Leukotriene B4", + "names": [ + "(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14-tetraenoate", + "(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoate", + "20-Hydroxy-leukotriene B4", + "20-OH-LTB4", + "20-OH-Leukotriene B4" + ] + }, + { + "compound_id": "C04855", + "inchi": null, + "name": "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R", + "names": [ + "alpha-D-Galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-N-acetylglucosaminyl-R", + "alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C04856", + "inchi": "InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11?,13-,14-,15-,16-,20-,21-/m1/s1", + "name": "(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide", + "names": [ + "(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide", + "6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide" + ] + }, + { + "compound_id": "C04858", + "inchi": "InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22?,23+,24-,25?,26-/m1/s1", + "name": "Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]", + "names": [ + "7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone", + "7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one", + "Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]", + "Apiin", + "Apioside" + ] + }, + { + "compound_id": "C04859", + "inchi": "InChI=1S/C33H52O9/c1-17-25-23(41-33(17)12-11-30(2,16-35)42-33)14-22-20-6-5-18-13-19(7-9-31(18,3)21(20)8-10-32(22,25)4)39-29-28(38)27(37)26(36)24(15-34)40-29/h5,17,19-29,34-38H,6-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-/m0/s1", + "name": "(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside", + "names": [ + "(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C04861", + "inchi": "InChI=1S/C24H42O21/c25-1-5-10(30)14(34)19(21(38)39-5)44-24-20(15(35)11(31)7(3-27)42-24)45-23-17(37)18(12(32)8(4-28)41-23)43-22-16(36)13(33)9(29)6(2-26)40-22/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18?,19?,20?,21?,22?,23?,24?/m1/s1", + "name": "1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose", + "names": [ + "1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose" + ] + }, + { + "compound_id": "C04862", + "inchi": "InChI=1S/C40H85NO7P2S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49(42,43)48-40(38-47-50(44,45)46-35-34-41(3,4)5)39-51-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3,(H-,42,43,44,45)/p+1/t40-/m0/s1", + "name": "1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine", + "names": [ + "1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C04864", + "inchi": "InChI=1S/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1", + "name": "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate", + "names": [ + "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate" + ] + }, + { + "compound_id": "C04865", + "inchi": "InChI=1S/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1", + "name": "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate", + "names": [ + "4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate" + ] + }, + { + "compound_id": "C04866", + "inchi": null, + "name": "alpha-D-Galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside", + "names": [ + "Glycoprotein alpha-D-galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactose", + "alpha-D-Galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside", + "alpha-D-Galactosyl-(1->3)-[alpha-L-fucosyl(1->2)]-D-galactosyl-R" + ] + }, + { + "compound_id": "C04867", + "inchi": "InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1", + "name": "Juvenile hormone II", + "names": [ + "Juvenile hormone II", + "Methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate" + ] + }, + { + "compound_id": "C04871", + "inchi": "InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)", + "name": "Haloxyfop", + "names": [ + "(RS)-2-[4-(3-Chloro-5-(trifluoromethyl-2-pyridyloxy)phenoxy]-propionic acid", + "Haloxyfop" + ] + }, + { + "compound_id": "C04872", + "inchi": null, + "name": "1,2-Diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol", + "names": [ + "1,2-Diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol" + ] + }, + { + "compound_id": "C04873", + "inchi": "InChI=1S/C40H83N2O5PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49-38-39(37-47-48(44,45)46-35-34-42(3,4)5)41-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3,(H-,41,43,44,45)/p+1/t39-/m0/s1", + "name": "1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine", + "names": [ + "1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C04874", + "inchi": "InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1", + "name": "2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine", + "names": [ + "2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine", + "7,8-Dihydroneopterin", + "Dihydroneopterin" + ] + }, + { + "compound_id": "C04875", + "inchi": "InChI=1S/C17H27NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,15,18-20H,4,7-8,10-11H2,1-3H3", + "name": "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol", + "names": [ + "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol", + "(+/-)-Dihydrobunolol" + ] + }, + { + "compound_id": "C04876", + "inchi": "InChI=1S/C33H54N6O20/c1-11(26(47)39-17(30(53)54)8-9-19(43)38-16(29(51)52)7-5-6-15(34)28(49)50)35-27(48)12(2)56-25-21(37-14(4)42)31(55)58-33(24(25)46)59-32-20(36-13(3)41)23(45)22(44)18(10-40)57-32/h11-12,15-18,20-25,31-33,40,44-46,55H,5-10,34H2,1-4H3,(H,35,48)(H,36,41)(H,37,42)(H,38,43)(H,39,47)(H,49,50)(H,51,52)(H,53,54)/t11-,12+,15?,16-,17+,18+,20+,21+,22+,23+,24-,25+,31?,32+,33+/m0/s1", + "name": "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine", + "names": [ + "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine" + ] + }, + { + "compound_id": "C04877", + "inchi": "InChI=1S/C35H55N7O26P2/c1-13(28(50)40-18(33(56)57)7-8-21(45)39-17(32(54)55)6-4-5-16(36)31(52)53)37-29(51)14(2)64-27-23(38-15(3)44)34(66-19(11-43)25(27)48)67-70(61,62)68-69(59,60)63-12-20-24(47)26(49)30(65-20)42-10-9-22(46)41-35(42)58/h9-10,13-14,16-20,23-27,30,34,43,47-49H,4-8,11-12,36H2,1-3H3,(H,37,51)(H,38,44)(H,39,45)(H,40,50)(H,52,53)(H,54,55)(H,56,57)(H,59,60)(H,61,62)(H,41,46,58)/t13-,14-,16-,17+,18?,19-,20-,23-,24-,25-,26-,27-,30-,34-/m1/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate", + "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate" + ] + }, + { + "compound_id": "C04880", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(R1)-beta-D-mannosyl-R2", + "names": [ + "3-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", + "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(R1)-beta-D-mannosyl-R2" + ] + }, + { + "compound_id": "C04881", + "inchi": "InChI=1S/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)68(80)69(63(48-75)87-71)88-70-64(72-60(13)76)67(79)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64+,65-,66-,67-,68-,69?,70?,71-/m1/s1", + "name": "N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol", + "names": [ + "N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol" + ] + }, + { + "compound_id": "C04882", + "inchi": "InChI=1S/C41H65N9O28P2/c1-15(32(58)45-17(3)37(62)63)44-35(61)21(8-6-7-20(42)38(64)65)47-25(53)10-9-22(39(66)67)48-33(59)16(2)43-34(60)18(4)74-31-27(46-19(5)52)40(76-23(13-51)29(31)56)77-80(71,72)78-79(69,70)73-14-24-28(55)30(57)36(75-24)50-12-11-26(54)49-41(50)68/h11-12,15-18,20-24,27-31,36,40,51,55-57H,6-10,13-14,42H2,1-5H3,(H,43,60)(H,44,61)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,62,63)(H,64,65)(H,66,67)(H,69,70)(H,71,72)(H,49,54,68)/t15-,16+,17-,18-,20-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,40-/m1/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine", + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine", + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C04883", + "inchi": "InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3", + "name": "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone", + "names": [ + "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone", + "(+/-)-Bunolol" + ] + }, + { + "compound_id": "C04884", + "inchi": null, + "name": "N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", + "names": [ + "GM2", + "GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", + "N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-1,4-beta-D-glucosyl-N-acylsphingosine", + "N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", + "Tay-Sachs ganglioside" + ] + }, + { + "compound_id": "C04885", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-galactosaminyl-R", + "names": [ + "N-Acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-D-galactosaminyl-R", + "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04886", + "inchi": "InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20?,21+,22+,23?,25+/m0/s1", + "name": "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine", + "names": [ + "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine" + ] + }, + { + "compound_id": "C04887", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R", + "names": [ + "alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R" + ] + }, + { + "compound_id": "C04890", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R", + "names": [ + "N-Acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl-R", + "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C04891", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R", + "names": [ + "N-Acetyl-beta-D-glucosaminyl-(1->6)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosaminyl-R", + "N-Acetyl-beta-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-R" + ] + }, + { + "compound_id": "C04894", + "inchi": "InChI=1S/C43H70N10O27P2/c1-17(44)34(61)45-13-8-7-9-23(38(65)47-18(2)35(62)48-20(4)40(66)67)50-27(56)11-10-24(41(68)69)51-36(63)19(3)46-37(64)21(5)76-33-29(49-22(6)55)42(78-25(15-54)31(33)59)79-82(73,74)80-81(71,72)75-16-26-30(58)32(60)39(77-26)53-14-12-28(57)52-43(53)70/h12,14,17-21,23-26,29-33,39,42,54,58-60H,7-11,13,15-16,44H2,1-6H3,(H,45,61)(H,46,64)(H,47,65)(H,48,62)(H,49,55)(H,50,56)(H,51,63)(H,66,67)(H,68,69)(H,71,72)(H,73,74)(H,52,57,70)/t17-,18+,19-,20+,21+,23-,24+,25+,26+,29+,30+,31+,32+,33+,39+,42+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine", + "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C04895", + "inchi": "InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1", + "name": "2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate", + "names": [ + "2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate", + "6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin", + "6-[(1S,2R)-1,2-Dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin", + "7,8-Dihydroneopterin 3'-triphosphate" + ] + }, + { + "compound_id": "C04896", + "inchi": "InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", + "name": "5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide", + "names": [ + "1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide", + "5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide", + "N-(5'-Phospho-D-ribosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide", + "N-(5'-Phosphoribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide", + "Phosphoribosyl-formimino-AICAR-phosphate" + ] + }, + { + "compound_id": "C04898", + "inchi": null, + "name": "Oligosaccharide with terminal 4-deoxy-6-methyl-alpha-D-galact-4-enuronosyl group", + "names": [ + "Oligosaccharide with terminal 4-deoxy-6-methyl-alpha-D-galact-4-enuronosyl group" + ] + }, + { + "compound_id": "C04899", + "inchi": "InChI=1S/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/t9-,10-,11?,13-,14-,15-,16-,20-,21-/m1/s1", + "name": "(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphate", + "names": [ + "(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2'-phosphate" + ] + }, + { + "compound_id": "C04900", + "inchi": "InChI=1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27?,31+,32?,33+/m0/s1", + "name": "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide", + "names": [ + "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide" + ] + }, + { + "compound_id": "C04901", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R", + "names": [ + "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04902", + "inchi": null, + "name": "beta-D-Galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R", + "names": [ + "beta-D-Galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04903", + "inchi": null, + "name": "3-beta-D-Glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein", + "names": [ + "3-beta-D-Glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein", + "beta-D-Glucuronyl-1,3-D-galactosylproteoglycan" + ] + }, + { + "compound_id": "C04904", + "inchi": "InChI=1S/C37H61N7O21/c1-13(30(52)44-20(35(59)60)9-10-23(49)43-19(8-6-7-18(38)34(57)58)32(54)40-14(2)33(55)56)39-31(53)15(3)62-29-25(42-17(5)48)36(61)63-22(12-46)28(29)65-37-24(41-16(4)47)27(51)26(50)21(11-45)64-37/h13-15,18-22,24-29,36-37,45-46,50-51,61H,6-12,38H2,1-5H3,(H,39,53)(H,40,54)(H,41,47)(H,42,48)(H,43,49)(H,44,52)(H,55,56)(H,57,58)(H,59,60)/t13-,14+,15+,18?,19-,20+,21+,22+,24+,25+,26+,27+,28?,29+,36-,37?/m0/s1", + "name": "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine", + "names": [ + "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine" + ] + }, + { + "compound_id": "C04905", + "inchi": "InChI=1S/C14H19N4O.BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1", + "name": "1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide", + "names": [ + "1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide" + ] + }, + { + "compound_id": "C04906", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-R", + "names": [ + "2,6-Bis(N-acetyl-beta-D-glucosaminyl)-alpha-D-mannosyl-R", + "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-R" + ] + }, + { + "compound_id": "C04907", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein", + "names": [ + "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" + ] + }, + { + "compound_id": "C04908", + "inchi": "InChI=1S/C14H17N3O2.BrH/c1-10-12(5-7-18)4-3-6-17(10)9-13-8-15-11(2)16-14(13)19;/h3-4,6,8,18H,5,7,9H2,1-2H3;1H", + "name": "1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide", + "names": [ + "1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide" + ] + }, + { + "compound_id": "C04909", + "inchi": null, + "name": "alpha-D-Glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol", + "names": [ + "alpha-D-Glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol" + ] + }, + { + "compound_id": "C04910", + "inchi": null, + "name": "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", + "names": [ + "1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", + "Ceramidetetrahexoside", + "Ceramidetetrasaccharide", + "Lc4Cer", + "Paragloboside" + ] + }, + { + "compound_id": "C04911", + "inchi": null, + "name": "D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", + "names": [ + "D-Galactosyl-1,3-beta-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosyl-N-acylsphingosine", + "D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", + "GM1", + "GM1a", + "Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer" + ] + }, + { + "compound_id": "C04913", + "inchi": null, + "name": "N-Acetyl-beta-D-galactosaminyl-1,4-beta-D-glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan", + "names": [ + "N-Acetyl-beta-D-galactosaminyl-1,4-beta-D-glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan" + ] + }, + { + "compound_id": "C04914", + "inchi": null, + "name": "alpha-D-Mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R", + "names": [ + "alpha-D-Mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C04916", + "inchi": "InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1", + "name": "N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide", + "names": [ + "5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide", + "N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide", + "Phosphoribulosyl-formimino-AICAR-phosphate" + ] + }, + { + "compound_id": "C04917", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-D-galactosaminyl-R", + "names": [ + "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04919", + "inchi": "InChI=1S/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2)66(64(55(49-71)88-67)92-94(81,82)83)91-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4/h51-56,61-68,71-75,80H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,81,82,83)(H2,84,85,86)/t51?,52?,53?,54?,55-,56-,61-,62-,63-,64-,65-,66-,67-,68+/m1/s1", + "name": "2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", + "names": [ + "2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", + "2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", + "Lipid A disaccharide bisphosphate", + "Lipid IV(A)" + ] + }, + { + "compound_id": "C04920", + "inchi": null, + "name": "6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol", + "names": [ + "6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol" + ] + }, + { + "compound_id": "C04922", + "inchi": null, + "name": "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", + "names": [ + "D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", + "beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C04923", + "inchi": "InChI=1S/C32H55NO26/c1-7(39)33-13-19(45)14(40)9(3-35)52-29(13)59-27-24(56-30-23(49)20(46)15(41)10(4-36)53-30)18(44)12(6-38)55-32(27)58-26-22(48)17(43)11(5-37)54-31(26)57-25-21(47)16(42)8(2-34)51-28(25)50/h8-32,34-38,40-50H,2-6H2,1H3,(H,33,39)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22+,23+,24?,25?,26?,27?,28?,29?,30?,31?,32?/m1/s1", + "name": "1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose", + "names": [ + "1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose" + ] + }, + { + "compound_id": "C04924", + "inchi": null, + "name": "N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide", + "names": [ + "GalNAc-beta1->4Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer", + "N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C04925", + "inchi": null, + "name": "N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide", + "names": [ + "Forssman hapten", + "GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer", + "GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4LacCer", + "N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide" + ] + }, + { + "compound_id": "C04926", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactose-1,3-(alpha-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl-R", + "names": [ + "N-Acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-D-galactosaminyl-R", + "alpha-N-Acetylneuraminyl-2,3-beta-D-galactose-1,3-(alpha-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04927", + "inchi": null, + "name": "N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", + "names": [ + "GD1a", + "N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide", + "NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", + "NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)LacCer" + ] + }, + { + "compound_id": "C04930", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R", + "names": [ + "N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R" + ] + }, + { + "compound_id": "C04931", + "inchi": "InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17?,18-/m1/s1", + "name": "Argatroban", + "names": [ + "(2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl)]-2-piperadinecarboxylic acid", + "Argatroban" + ] + }, + { + "compound_id": "C04932", + "inchi": "InChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/t51?,52?,53?,54?,55-,56-,61-,62-,63-,64-,65-,66-,67-,68+/m1/s1", + "name": "2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate", + "names": [ + "2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate", + "2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate", + "2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate", + "2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate", + "Lipid A disaccharide" + ] + }, + { + "compound_id": "C04934", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-(N-acetyl-beta-D-glucosaminyl-1,4)-alpha-D-mannosyl-R", + "names": [ + "2,4,6-Tris(N-acetyl-beta-D-glucosaminyl)-alpha-D-mannosyl-R", + "N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-(N-acetyl-beta-D-glucosaminyl-1,4)-alpha-D-mannosyl-R" + ] + }, + { + "compound_id": "C04936", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide", + "names": [ + "Neu5Ac-alpha2->3Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", + "alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide" + ] + }, + { + "compound_id": "C04937", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R", + "names": [ + "N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3)-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C04938", + "inchi": null, + "name": "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", + "names": [ + "N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C04939", + "inchi": null, + "name": "N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide", + "names": [ + "N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide" + ] + }, + { + "compound_id": "C04940", + "inchi": null, + "name": "(N-Acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N-acetyl-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-beta-D-mannosyl-R", + "names": [ + "(N-Acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N-acetyl-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C04942", + "inchi": null, + "name": "beta-D-Mannosyl-R", + "names": [ + "beta-D-Mannosyl-R" + ] + }, + { + "compound_id": "C04943", + "inchi": null, + "name": "N-Acetyl-beta-D-glucosaminyl-1,4-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-beta-D-mannosyl-R", + "names": [ + "3-(2,4-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", + "N-Acetyl-beta-D-glucosaminyl-1,4-(N-acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C04944", + "inchi": null, + "name": "6-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", + "names": [ + "6-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C05001", + "inchi": "InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", + "name": "Fructose 1-phosphate(pyranose)", + "names": [ + "Fructose 1-phosphate(pyranose)" + ] + }, + { + "compound_id": "C05003", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1", + "name": "Fructose(pyranose)", + "names": [ + "Fructose(pyranose)" + ] + }, + { + "compound_id": "C05005", + "inchi": null, + "name": "Glycolipid", + "names": [ + "Glycolipid" + ] + }, + { + "compound_id": "C05009", + "inchi": null, + "name": "Heme-thiolate(P-450)", + "names": [ + "Heme-thiolate(P-450)" + ] + }, + { + "compound_id": "C05010", + "inchi": "InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1", + "name": "Histidylleucine", + "names": [ + "His-Leu", + "Histidylleucine", + "N-L-Histidyl-L-leucin" + ] + }, + { + "compound_id": "C05011", + "inchi": "InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-", + "name": "Hydroxytamoxifen", + "names": [ + "4-Hydroxytamoxifen", + "Hydroxytamoxifen" + ] + }, + { + "compound_id": "C05016", + "inchi": "InChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1", + "name": "L-Glutamate methylester", + "names": [ + "L-Glutamate methylester" + ] + }, + { + "compound_id": "C05021", + "inchi": "InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1", + "name": "N-Acetyl-beta-D-galactosamine", + "names": [ + "N-Acetyl-beta-D-galactosamine" + ] + }, + { + "compound_id": "C05026", + "inchi": "InChI=1S/C6H9N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,5H,7H2,1H3,(H,8,9)", + "name": "N3-Metyladenine", + "names": [ + "N3-Metyladenine" + ] + }, + { + "compound_id": "C05028", + "inchi": "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1", + "name": "Norethindrone", + "names": [ + "19-Nor-17alpha-ethynyl-17beta-hydroxy-4-androsten-3-one", + "19-Norethisterone", + "Norethindrone" + ] + }, + { + "compound_id": "C05031", + "inchi": "InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1", + "name": "O6-Methyl-2'-deoxyguanosine", + "names": [ + "O6-Methyl-2'-deoxyguanosine" + ] + }, + { + "compound_id": "C05042", + "inchi": "InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)", + "name": "Glufosinate", + "names": [ + "2-Amino-4-(hydroxymethylphosphinyl)butanoic acid", + "Glufosinate", + "Phosphinothricin" + ] + }, + { + "compound_id": "C05052", + "inchi": "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2", + "name": "Ribulose", + "names": [ + "Ribulose" + ] + }, + { + "compound_id": "C05056", + "inchi": null, + "name": "cis-2-Enoyl-CoA", + "names": [ + "cis-2-Enoyl-CoA" + ] + }, + { + "compound_id": "C05057", + "inchi": null, + "name": "cis-3-Enoyl-CoA", + "names": [ + "cis-3-Enoyl-CoA" + ] + }, + { + "compound_id": "C05058", + "inchi": "InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2", + "name": "m-Aminophenol", + "names": [ + "3-Aminophenol", + "3-Hydroxyaniline", + "m-Aminophenol" + ] + }, + { + "compound_id": "C05060", + "inchi": "InChI=1S/C6H5O2/c7-5-3-1-2-4-6(5)8/h1-4,7H", + "name": "o-Benzosemiquinone", + "names": [ + "2-Hydroxyphenoxy radical", + "o-Benzosemiquinone" + ] + }, + { + "compound_id": "C05067", + "inchi": null, + "name": "trans-3-Enoyl-CoA", + "names": [ + "trans-3-Enoyl-CoA" + ] + }, + { + "compound_id": "C05071", + "inchi": "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)", + "name": "Chlorsulfuron", + "names": [ + "Chlorsulfuron" + ] + }, + { + "compound_id": "C05073", + "inchi": "InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1", + "name": "Coumermycin A1", + "names": [ + "Coumermycin", + "Coumermycin A1" + ] + }, + { + "compound_id": "C05076", + "inchi": "InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)", + "name": "Imazaquin", + "names": [ + "Imazaquin" + ] + }, + { + "compound_id": "C05079", + "inchi": "InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)", + "name": "Nalidixic acid", + "names": [ + "Nalidixic acid" + ] + }, + { + "compound_id": "C05080", + "inchi": "InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1", + "name": "Novobiocin", + "names": [ + "Novobiocin" + ] + }, + { + "compound_id": "C05086", + "inchi": "InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+", + "name": "Cyclosporin A", + "names": [ + "Ciclosporin", + "Cyclosporin A", + "Cyclosporine" + ] + }, + { + "compound_id": "C05100", + "inchi": "InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)", + "name": "3-Ureidoisobutyrate", + "names": [ + "3-Ureidoisobutyrate" + ] + }, + { + "compound_id": "C05102", + "inchi": null, + "name": "alpha-Hydroxy fatty acid", + "names": [ + "alpha-Hydroxy fatty acid" + ] + }, + { + "compound_id": "C05103", + "inchi": "InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20?,22?,23+,24?,26+,27-,28+/m1/s1", + "name": "4alpha-Methylzymosterol", + "names": [ + "4alpha-Methylzymosterol" + ] + }, + { + "compound_id": "C05104", + "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20?,21+,23-,24+,25+,26+,27-/m1/s1", + "name": "delta7,24-Cholestadien-3beta-ol", + "names": [ + "delta7,24-Cholestadien-3beta-ol" + ] + }, + { + "compound_id": "C05107", + "inchi": "InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1", + "name": "7-Dehydrodesmosterol", + "names": [ + "7-Dehydrodesmosterol", + "Cholesta-5,7,24-triene-3beta-ol" + ] + }, + { + "compound_id": "C05108", + "inchi": "InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1", + "name": "14-Demethyllanosterol", + "names": [ + "14-Demethyllanosterol", + "4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol", + "4,4-Dimethyl-8,24-cholestadienol" + ] + }, + { + "compound_id": "C05109", + "inchi": "InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1", + "name": "24,25-Dihydrolanosterol", + "names": [ + "24,25-Dihydrolanosterol" + ] + }, + { + "compound_id": "C05110", + "inchi": "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23?,24+,26+,27-,28+/m1/s1", + "name": "4alpha-Methylcholesta-8-en-3beta-ol", + "names": [ + "4alpha-Methylcholesta-8-en-3beta-ol" + ] + }, + { + "compound_id": "C05111", + "inchi": "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19?,20-,22?,23?,24?,25?,26-,27+,28-/m0/s1", + "name": "Methostenol", + "names": [ + "4alpha-Methyl-5alpha-cholesta-7-en-3beta-ol", + "Methostenol" + ] + }, + { + "compound_id": "C05113", + "inchi": "InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-", + "name": "Porphyrin", + "names": [ + "Porphyrin" + ] + }, + { + "compound_id": "C05114", + "inchi": null, + "name": "Mucopolysaccharide", + "names": [ + "Mucopolysaccharide" + ] + }, + { + "compound_id": "C05116", + "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20?,24-/m1/s1", + "name": "3-Hydroxybutanoyl-CoA", + "names": [ + "3-Hydroxybutanoyl-CoA" + ] + }, + { + "compound_id": "C05117", + "inchi": "InChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13?,14-,18-,19-,20?,24-/m1/s1", + "name": "3-Aminobutanoyl-CoA", + "names": [ + "3-Aminobutanoyl-CoA" + ] + }, + { + "compound_id": "C05118", + "inchi": "InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)", + "name": "S-(2-Methylbutanoyl)-dihydrolipoamide", + "names": [ + "S-(2-Methylbutanoyl)-dihydrolipoamide" + ] + }, + { + "compound_id": "C05119", + "inchi": "InChI=1S/C13H25NO2S2/c1-10(2)9-13(16)18-8-7-11(17)5-3-4-6-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)", + "name": "S-(3-Methylbutanoyl)-dihydrolipoamide", + "names": [ + "S-(3-Methylbutanoyl)-dihydrolipoamide" + ] + }, + { + "compound_id": "C05122", + "inchi": "InChI=1/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24?,25+,26-/m1/s1/f/h27,32H", + "name": "Taurocholate", + "names": [ + "Taurocholate" + ] + }, + { + "compound_id": "C05123", + "inchi": "InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)", + "name": "2-Hydroxyethanesulfonate", + "names": [ + "2-Hydroxyethane-1-sulfonic acid", + "2-Hydroxyethanesulfonate", + "2-Hydroxyethanesulfonic acid", + "Isethionate", + "Isethionic acid" + ] + }, + { + "compound_id": "C05125", + "inchi": "InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1", + "name": "2-(alpha-Hydroxyethyl)thiamine diphosphate", + "names": [ + "2-(alpha-Hydroxyethyl)thiamine diphosphate", + "2-Hydroxyethyl-ThPP" + ] + }, + { + "compound_id": "C05126", + "inchi": "InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4+", + "name": "Dimethyl citraconate", + "names": [ + "2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-", + "Citraconate de dimethyle", + "Citraconic acid dimethyl ester", + "Citraconic acid, dimethyl ester", + "Dimethyl citraconate", + "Dimethyl methylmaleate", + "Methylmaleic acid, dimethyl ester" + ] + }, + { + "compound_id": "C05127", + "inchi": "InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3", + "name": "N-Methylhistamine", + "names": [ + "1-Methyl-4-(2-aminoethyl)imidazole", + "1-Methylhistamine", + "N-Methylhistamine", + "Ntau-Methylhistamine" + ] + }, + { + "compound_id": "C05130", + "inchi": "InChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)", + "name": "Imidazole-4-acetaldehyde", + "names": [ + "Imidazole acetaldehyde", + "Imidazole-4-acetaldehyde" + ] + }, + { + "compound_id": "C05131", + "inchi": "InChI=1/C10H14N2O6/c13-3-6-8(16)9(17)10(18-6)12-2-5(11-4-12)1-7(14)15/h2,4,6,8-10,13,16-17H,1,3H2,(H,14,15)/t6-,8-,9-,10-/m1/s1/f/h14H", + "name": "(1-Ribosylimidazole)-4-acetate", + "names": [ + "(1-Ribosylimidazole)-4-acetate" + ] + }, + { + "compound_id": "C05133", + "inchi": "InChI=1S/C5H6N2O3/c8-4(9)1-3-5(10)7-2-6-3/h2-3H,1H2,(H,8,9)(H,6,7,10)", + "name": "4-Imidazolone-5-acetate", + "names": [ + "(5-Hydroxyimidazole)-4-acetate", + "4-Imidazolone-5-acetate", + "5-Hydroxy-4-imidazoleacetate", + "Imidazolone acetate" + ] + }, + { + "compound_id": "C05135", + "inchi": "InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)", + "name": "4-(beta-Acetylaminoethyl)imidazole", + "names": [ + "4-(beta-Acetylaminoethyl)imidazole", + "N-Acetylhistamine" + ] + }, + { + "compound_id": "C05136", + "inchi": "InChI=1S/C16H25N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-8,10-11,14-15,22-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,6-,7-,8-,10-,11-,14-,15+/m1/s1", + "name": "GDP-3,6-dideoxy-D-galactose", + "names": [ + "GDP-3,6-dideoxy-D-galactose" + ] + }, + { + "compound_id": "C05138", + "inchi": "InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18?,19-,20-,21-/m0/s1", + "name": "17alpha-Hydroxypregnenolone", + "names": [ + "17alpha-Hydroxypregnenolone" + ] + }, + { + "compound_id": "C05139", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1", + "name": "16alpha-Hydroxydehydroepiandrosterone", + "names": [ + "16alpha-Hydroxydehydroepiandrosterone", + "5-Androstene-3beta,16alpha-diol-17-one" + ] + }, + { + "compound_id": "C05140", + "inchi": "InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1", + "name": "16alpha-Hydroxyandrost-4-ene-3,17-dione", + "names": [ + "16alpha-Hydroxyandrost-4-ene-3,17-dione", + "4-Androsten-16alpha-ol-3,17-dione" + ] + }, + { + "compound_id": "C05141", + "inchi": "InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1", + "name": "Estriol", + "names": [ + "1,3,5(10)-Estratriene-3,16-alpha,17beta-triol", + "Estriol" + ] + }, + { + "compound_id": "C05143", + "inchi": "InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1", + "name": "Dhurrin", + "names": [ + "(S)-4-Hydroxymandelonitrile beta-D-glucoside", + "Dhurrin" + ] + }, + { + "compound_id": "C05144", + "inchi": null, + "name": "(beta-D-Mannuronate)n", + "names": [ + "(beta-D-Mannuronate)n", + "Poly(beta-D-mannuronate)", + "Polymannuronate" + ] + }, + { + "compound_id": "C05145", + "inchi": "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)", + "name": "3-Aminoisobutyric acid", + "names": [ + "3-Amino-2-methylpropanoate", + "3-Aminoisobutanoate", + "3-Aminoisobutyric acid" + ] + }, + { + "compound_id": "C05146", + "inchi": "InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)", + "name": "Hydantoin", + "names": [ + "Glycolylurea", + "Hydantoin" + ] + }, + { + "compound_id": "C05147", + "inchi": "InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1", + "name": "trans-L-3-Hydroxyproline", + "names": [ + "trans-L-3-Hydroxyproline" + ] + }, + { + "compound_id": "C05148", + "inchi": "InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18?,19-,20+,21?,24?,25?,26-,29+,31+,32+/m0/s1", + "name": "Debromoaplysiatoxin", + "names": [ + "Debromoaplysiatoxin" + ] + }, + { + "compound_id": "C05149", + "inchi": "InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37?,38+,43+,46+,47-/m1/s1", + "name": "Bryostatin 1", + "names": [ + "Bryostatin 1" + ] + }, + { + "compound_id": "C05150", + "inchi": "InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27-,28-/m0/s1", + "name": "Teleocidin B-1", + "names": [ + "(4S,7S,10S,13R)-13-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(hydroxymethyl)-8,10,13-trimethyl-7,10-diisopropyl-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one", + "Teleocidin B-1" + ] + }, + { + "compound_id": "C05151", + "inchi": "InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1", + "name": "12-O-Tetradecanoylphorbol 13-acetate", + "names": [ + "12-O-Tetradecanoylphorbol 13-acetate", + "12-Tetradecanoylphorbol 13-acetate", + "Phorbol 12-myristate 13-acetate" + ] + }, + { + "compound_id": "C05153", + "inchi": "InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3", + "name": "7-Hydroxy-(S)-usnate", + "names": [ + "7-Hydroxy-(S)-usnate" + ] + }, + { + "compound_id": "C05155", + "inchi": "InChI=1S/C10H8ClN3O5/c11-8-5(12)4-13-14(9(8)17)7(16)3-1-2-6(15)10(18)19/h1-4,15H,12H2,(H,18,19)/b3-1-,6-2+", + "name": "5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone", + "names": [ + "5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone", + "5-Amino-4-chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone" + ] + }, + { + "compound_id": "C05156", + "inchi": null, + "name": "Aminoacyl-tRNA", + "names": [ + "Aminoacyl-tRNA" + ] + }, + { + "compound_id": "C05157", + "inchi": null, + "name": "Peptidyl-aminoacyl-tRNA", + "names": [ + "Peptidyl-aminoacyl-tRNA" + ] + }, + { + "compound_id": "C05158", + "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1", + "name": "trans-beta-D-Glucosyl-2-hydroxycinnamate", + "names": [ + "beta-D-Glucosyl-2-coumarate", + "trans-beta-D-Glucosyl-2-hydroxycinnamate" + ] + }, + { + "compound_id": "C05159", + "inchi": null, + "name": "6-(2,6-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R", + "names": [ + "6-(2,6-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C05161", + "inchi": "InChI=1S/C6H14N2O2/c1-4(7)2-3-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)", + "name": "2,5-Diaminohexanoate", + "names": [ + "2,5-Diaminohexanoate" + ] + }, + { + "compound_id": "C05163", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5+,6-,7-", + "name": "O-Methyl-scyllo-inositol", + "names": [ + "1-O-Methyl-scyllo-inositol", + "O-Methyl-scyllo-inositol" + ] + }, + { + "compound_id": "C05165", + "inchi": "InChI=1S/C28H43N8O18P3S/c1-28(2,22(40)25(41)32-6-5-18(38)31-7-8-58-27(42)15-9-14(37)3-4-16(15)29)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)36-13-35-19-23(30)33-12-34-24(19)36/h12-13,17,20-22,26,39-40H,3-11,29H2,1-2H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,20-,21-,22?,26-/m1/s1", + "name": "2-Amino-5-oxocyclohex-1-enecarbonyl-CoA", + "names": [ + "2-Amino-5-oxo-cyclohex-1-enecarboxy-CoA", + "2-Amino-5-oxocyclohex-1-enecarbonyl-CoA" + ] + }, + { + "compound_id": "C05167", + "inchi": null, + "name": "alpha-Amino acid", + "names": [ + "alpha-Amino acid" + ] + }, + { + "compound_id": "C05172", + "inchi": "InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)", + "name": "Selenophosphoric acid", + "names": [ + "Selenophosphate", + "Selenophosphoric acid" + ] + }, + { + "compound_id": "C05174", + "inchi": "InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1", + "name": "(S)-Cheilanthifoline", + "names": [ + "(6aS)-6,6a,11,14-Tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4,5-g]quinolizim-9-ol", + "(S)-Cheilanthifoline" + ] + }, + { + "compound_id": "C05175", + "inchi": "InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1", + "name": "Stylopine", + "names": [ + "(S)-Stylopine", + "6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine", + "Stylopine", + "l-Tetrahydrocoptisine" + ] + }, + { + "compound_id": "C05176", + "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1", + "name": "(S)-N-Methylcoclaurine", + "names": [ + "(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol", + "(S)-N-Methylcoclaurine" + ] + }, + { + "compound_id": "C05177", + "inchi": "InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1", + "name": "Berbamunine", + "names": [ + "(1S)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol", + "Berbamunine" + ] + }, + { + "compound_id": "C05178", + "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m1/s1", + "name": "(R)-Reticuline", + "names": [ + "(1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol", + "(R)-Reticuline" + ] + }, + { + "compound_id": "C05179", + "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1", + "name": "Salutaridine", + "names": [ + "5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one", + "Salutaridine", + "Sinoacutine" + ] + }, + { + "compound_id": "C05183", + "inchi": null, + "name": "Ferrocytochrome b-561", + "names": [ + "Ferrocytochrome b-561" + ] + }, + { + "compound_id": "C05189", + "inchi": "InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3", + "name": "Protopine", + "names": [ + "Protopine" + ] + }, + { + "compound_id": "C05190", + "inchi": "InChI=1S/C20H19NO6/c1-21-8-14-11(2-3-16-20(14)27-10-24-16)4-15(22)13-7-18-17(25-9-26-18)5-12(13)6-19(21)23/h2-3,5,7,19,23H,4,6,8-10H2,1H3", + "name": "6-Hydroxyprotopine", + "names": [ + "6-Hydroxyprotopine" + ] + }, + { + "compound_id": "C05191", + "inchi": "InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3", + "name": "Dihydrosanguinarine", + "names": [ + "13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine", + "Dihydrosanguinarine" + ] + }, + { + "compound_id": "C05193", + "inchi": "InChI=1S/C21H17NO6/c1-22-7-13-19(17(24-2)6-18-21(13)28-9-27-18)12-3-14(23)10-4-15-16(26-8-25-15)5-11(10)20(12)22/h3-6,23H,7-9H2,1-2H3", + "name": "12-Hydroxydihydrochelirubine", + "names": [ + "12-Hydroxychelirubine", + "12-Hydroxydihydrochelirubine" + ] + }, + { + "compound_id": "C05194", + "inchi": "InChI=1S/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3", + "name": "Dihydrochelirubine", + "names": [ + "13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine", + "Dihydrochelirubine" + ] + }, + { + "compound_id": "C05195", + "inchi": "InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-5,10,13-14,17,20-22,26,36,38-39H,6-9,11-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "3-Hydroxybenzoyl-CoA", + "names": [ + "3-Hydroxybenzoyl-CoA" + ] + }, + { + "compound_id": "C05196", + "inchi": null, + "name": "Dihydroflavodoxin", + "names": [ + "Dihydroflavodoxin" + ] + }, + { + "compound_id": "C05197", + "inchi": null, + "name": "[Formate C-acetyltransferase]-glycine", + "names": [ + "[Formate C-acetyltransferase]-glycine" + ] + }, + { + "compound_id": "C05198", + "inchi": "InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", + "name": "5'-Deoxyadenosine", + "names": [ + "5'-Deoxyadenosine" + ] + }, + { + "compound_id": "C05199", + "inchi": null, + "name": "Flavodoxin semiquinone", + "names": [ + "Flavodoxin semiquinone" + ] + }, + { + "compound_id": "C05200", + "inchi": "InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+", + "name": "3-Hexaprenyl-4,5-dihydroxybenzoate", + "names": [ + "3-Hexaprenyl-4,5-dihydroxybenzoate" + ] + }, + { + "compound_id": "C05201", + "inchi": "InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2", + "name": "(R,S)-Tetrahydrobenzylisoquinoline", + "names": [ + "(R,S)-Tetrahydrobenzylisoquinoline", + "(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline" + ] + }, + { + "compound_id": "C05202", + "inchi": "InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1", + "name": "3'-Hydroxy-N-methyl-(S)-coclaurine", + "names": [ + "(S)-3'-Hydroxy-N-methylcoclaurine", + "3'-Hydroxy-N-methyl-(S)-coclaurine" + ] + }, + { + "compound_id": "C05203", + "inchi": "InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3", + "name": "6-O-Methylnorlaudanosoline", + "names": [ + "6-O-Methylnorlaudanosoline" + ] + }, + { + "compound_id": "C05204", + "inchi": "InChI=1S/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2/t17-/m0/s1", + "name": "(S)-7,8,13,14-Tetrahydroprotoberberine", + "names": [ + "(S)-7,8,13,14-Tetrahydroprotoberberine", + "(S)-Tetrahydroprotoberberine" + ] + }, + { + "compound_id": "C05205", + "inchi": null, + "name": "[Cytochrome c] methionine", + "names": [ + "[Cytochrome c] L-methionine", + "[Cytochrome c] methionine" + ] + }, + { + "compound_id": "C05206", + "inchi": null, + "name": "Histone L-arginine", + "names": [ + "Histone L-arginine", + "Histone-arginine" + ] + }, + { + "compound_id": "C05207", + "inchi": null, + "name": "[Myeline basic protein] L-arginine", + "names": [ + "[Myelin basic protein]-arginine", + "[Myeline basic protein] L-arginine" + ] + }, + { + "compound_id": "C05208", + "inchi": null, + "name": "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphocholine", + "names": [ + "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphocholine", + "1-Organyl-2-arachidonyl-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C05209", + "inchi": null, + "name": "1-Alkyl-2-lyso-sn-glycero-3-phosphoethanolamine", + "names": [ + "1-Alkyl-2-lyso-sn-glycero-3-phosphoethanolamine", + "1-Organyl-2-lyso-sn-glycero-3-phosphoethanolamine", + "1-Radyl-2-lyso-sn-glycero-3-phosphoethanolamine" + ] + }, + { + "compound_id": "C05210", + "inchi": null, + "name": "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine", + "names": [ + "1-Alkyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine", + "1-Organyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine" + ] + }, + { + "compound_id": "C05212", + "inchi": null, + "name": "1-Radyl-2-acyl-sn-glycero-3-phosphocholine", + "names": [ + "1-Organyl-2-acyl-sn-glycero-3-phosphocholine", + "1-Radyl-2-acyl-sn-glycero-3-phosphocholine", + "2-Acyl-1-alkyl-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C05217", + "inchi": null, + "name": "1-Organyl-2-lyso-sn-glycero-3-phospholipid", + "names": [ + "1-Organyl-2-lyso-sn-glycero-3-phospholipid" + ] + }, + { + "compound_id": "C05218", + "inchi": null, + "name": "1-Radyl-2-acetyl-sn-glycero-3-phospholipid", + "names": [ + "1-Alkyl-2-acetyl-sn-glycero-3-phospholipid", + "1-Radyl-2-acetyl-sn-glycero-3-phospholipid" + ] + }, + { + "compound_id": "C05220", + "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3/t13-,14+,19+/m1/s1", + "name": "5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol", + "names": [ + "5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol", + "Salutaridinol" + ] + }, + { + "compound_id": "C05223", + "inchi": null, + "name": "Dodecanoyl-[acyl-carrier protein]", + "names": [ + "Dodecanoyl-[acp]", + "Dodecanoyl-[acyl-carrier protein]", + "Lauroyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05226", + "inchi": null, + "name": "N-Carbamoyl-D-amino acid", + "names": [ + "N-Carbamoyl-D-amino acid" + ] + }, + { + "compound_id": "C05227", + "inchi": null, + "name": "UDP-sugar", + "names": [ + "UDP-monosaccharide", + "UDP-sugar" + ] + }, + { + "compound_id": "C05229", + "inchi": "InChI=1S/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3/t15-,19-/m0/s1", + "name": "Phaseollidin hydrate", + "names": [ + "Phaseollidin hydrate" + ] + }, + { + "compound_id": "C05230", + "inchi": "InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1", + "name": "Phaseollidin", + "names": [ + "(-)-Phaseollidin", + "Phaseollidin" + ] + }, + { + "compound_id": "C05231", + "inchi": "InChI=1S/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13-,14+,18+,19+,20?,24+/m0/s1", + "name": "L-3-Aminobutyryl-CoA", + "names": [ + "L-3-Aminobutyryl-CoA" + ] + }, + { + "compound_id": "C05232", + "inchi": null, + "name": "(2S)-2-Methylacyl-CoA", + "names": [ + "(2S)-2-Methylacyl-CoA" + ] + }, + { + "compound_id": "C05234", + "inchi": null, + "name": "Detyrosinated alpha-tubulin", + "names": [ + "Detyrosinated alpha-tubulin" + ] + }, + { + "compound_id": "C05235", + "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3", + "name": "Hydroxyacetone", + "names": [ + "1-Hydroxy-2-propanone", + "2-Ketopropyl alcohol", + "Acetol", + "Acetone alcohol", + "Hydroxyacetone", + "Methylketol", + "Pyruvic alcohol", + "Pyruvinalcohol" + ] + }, + { + "compound_id": "C05239", + "inchi": "InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)", + "name": "5-Aminoimidazole", + "names": [ + "4-Aminoimidazole", + "5-Aminoimidazole", + "Aminoimidazole" + ] + }, + { + "compound_id": "C05241", + "inchi": "InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)", + "name": "ureidoglycolic acid", + "names": [ + "ureidoglycolic acid" + ] + }, + { + "compound_id": "C05243", + "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m1/s1", + "name": "(R)-N-Methylcoclaurine", + "names": [ + "(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol", + "(R)-N-Methylcoclaurine" + ] + }, + { + "compound_id": "C05247", + "inchi": "InChI=1S/C20H15NO5/c1-21-7-13-18(14(22)6-17-20(13)26-9-25-17)11-3-2-10-4-15-16(24-8-23-15)5-12(10)19(11)21/h2-6,22H,7-9H2,1H3", + "name": "10-Hydroxydihydrosanguinarine", + "names": [ + "10-Hydroxydihydrosanguinarine" + ] + }, + { + "compound_id": "C05250", + "inchi": null, + "name": "[Protein-PII]", + "names": [ + "Nitrogen regulatory protein P-II", + "[Protein-PII]" + ] + }, + { + "compound_id": "C05252", + "inchi": "InChI=1S/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)", + "name": "2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-Tri-hydroxypropyl)-5,6,7,8-tetrahydroxypterin", + "names": [ + "2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-Tri-hydroxypropyl)-5,6,7,8-tetrahydroxypterin" + ] + }, + { + "compound_id": "C05253", + "inchi": "InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)", + "name": "2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin", + "names": [ + "2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin" + ] + }, + { + "compound_id": "C05258", + "inchi": "InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26+,30+,31+,32?,36+/m0/s1", + "name": "(S)-3-Hydroxyhexadecanoyl-CoA", + "names": [ + "(S)-3-Hydroxyhexadecanoyl-CoA" + ] + }, + { + "compound_id": "C05259", + "inchi": "InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32?,36-/m1/s1", + "name": "3-Oxopalmitoyl-CoA", + "names": [ + "3-Ketopalmitoyl-CoA", + "3-Oxohexadecanoyl-CoA", + "3-Oxopalmitoyl-CoA" + ] + }, + { + "compound_id": "C05260", + "inchi": "InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23-,24+,28+,29+,30?,34+/m0/s1", + "name": "(S)-3-Hydroxytetradecanoyl-CoA", + "names": [ + "(S)-3-Hydroxytetradecanoyl-CoA" + ] + }, + { + "compound_id": "C05261", + "inchi": "InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t24-,28-,29-,30?,34-/m1/s1", + "name": "3-Oxotetradecanoyl-CoA", + "names": [ + "3-Oxotetradecanoyl-CoA" + ] + }, + { + "compound_id": "C05262", + "inchi": "InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26+,27+,28?,32+/m0/s1", + "name": "(S)-3-Hydroxydodecanoyl-CoA", + "names": [ + "(S)-3-Hydroxydodecanoyl-CoA" + ] + }, + { + "compound_id": "C05263", + "inchi": "InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26-,27-,28?,32-/m1/s1", + "name": "3-Oxododecanoyl-CoA", + "names": [ + "3-Oxododecanoyl-CoA" + ] + }, + { + "compound_id": "C05264", + "inchi": "InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26?,30+/m0/s1", + "name": "(S)-Hydroxydecanoyl-CoA", + "names": [ + "(S)-3-Hydroxydecanoyl-CoA", + "(S)-Hydroxydecanoyl-CoA" + ] + }, + { + "compound_id": "C05265", + "inchi": "InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26?,30-/m1/s1", + "name": "3-Oxodecanoyl-CoA", + "names": [ + "3-Oxodecanoyl-CoA" + ] + }, + { + "compound_id": "C05266", + "inchi": "InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18+,22+,23+,24?,28+/m0/s1", + "name": "(S)-3-Hydroxyoctanoyl-CoA", + "names": [ + "(S)-3-Hydroxycapryloyl-CoA", + "(S)-3-Hydroxyoctanoyl-CoA", + "(S)-Hydroxyoctanoyl-CoA" + ] + }, + { + "compound_id": "C05267", + "inchi": "InChI=1S/C29H48N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-16,18,22-24,28,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1", + "name": "3-Oxooctanoyl-CoA", + "names": [ + "3-Oxooctanoyl-CoA" + ] + }, + { + "compound_id": "C05268", + "inchi": "InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20+,21+,22?,26+/m0/s1", + "name": "(S)-Hydroxyhexanoyl-CoA", + "names": [ + "(3s)-3-hydroxyhexanoyl-coa", + "(S)-3-Hydroxyhexanoyl-CoA", + "(S)-Hydroxyhexanoyl-CoA" + ] + }, + { + "compound_id": "C05269", + "inchi": "InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20-,21-,22?,26-/m1/s1", + "name": "3-Oxohexanoyl-CoA", + "names": [ + "3-Ketohexanoyl-CoA", + "3-Oxohexanoyl-CoA" + ] + }, + { + "compound_id": "C05270", + "inchi": "InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22?,26-/m1/s1", + "name": "Hexanoyl-CoA", + "names": [ + "Hexanoyl-CoA" + ] + }, + { + "compound_id": "C05271", + "inchi": "InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22?,26-/m1/s1", + "name": "trans-Hex-2-enoyl-CoA", + "names": [ + "(2E)-Hexenoyl-CoA", + "trans-Hex-2-enoyl-CoA" + ] + }, + { + "compound_id": "C05272", + "inchi": "InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b17-16+/t26-,30-,31-,32?,36-/m1/s1", + "name": "trans-Hexadec-2-enoyl-CoA", + "names": [ + "(2E)-Hexadecenoyl-CoA", + "trans-2-Hexadecenoyl-CoA", + "trans-Hexadec-2-enoyl-CoA" + ] + }, + { + "compound_id": "C05273", + "inchi": "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30?,34-/m1/s1", + "name": "trans-Tetradec-2-enoyl-CoA", + "names": [ + "(2E)-Tetradecenoyl-CoA", + "trans-Tetradec-2-enoyl-CoA" + ] + }, + { + "compound_id": "C05274", + "inchi": "InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1", + "name": "Decanoyl-CoA", + "names": [ + "Decanoyl-CoA" + ] + }, + { + "compound_id": "C05275", + "inchi": "InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b11-10+/t20-,24-,25-,26?,30-/m1/s1", + "name": "trans-Dec-2-enoyl-CoA", + "names": [ + "(2E)-Decenoyl-CoA", + "trans-Dec-2-enoyl-CoA" + ] + }, + { + "compound_id": "C05276", + "inchi": "InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24?,28-/m1/s1", + "name": "trans-Oct-2-enoyl-CoA", + "names": [ + "(2E)-Octenoyl-CoA", + "trans-Oct-2-enoyl-CoA" + ] + }, + { + "compound_id": "C05278", + "inchi": "InChI=1/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18-,22-,23-,24+,28-/m1/s1/f/h31-32,43-44,46,48H,30H2", + "name": "(R)-3-Hydroxycapryloyl-CoA", + "names": [ + "(R)-3-Hydroxycapryloyl-CoA" + ] + }, + { + "compound_id": "C05279", + "inchi": "InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,13-12+/t22-,26-,27-,28?,32-/m1/s1", + "name": "trans,cis-Lauro-2,6-dienoyl-CoA", + "names": [ + "trans,cis-Lauro-2,6-dienoyl-CoA" + ] + }, + { + "compound_id": "C05280", + "inchi": "InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b9-8-,12-11-/t22-,26-,27-,28?,32-/m1/s1", + "name": "cis,cis-3,6-Dodecadienoyl-CoA", + "names": [ + "cis,cis-3,6-Dodecadienoyl-CoA" + ] + }, + { + "compound_id": "C05281", + "inchi": "InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)", + "name": "5-Methylbarbiturate", + "names": [ + "5-Methylbarbiturate", + "5-Methylbarbituric acid" + ] + }, + { + "compound_id": "C05282", + "inchi": "InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1", + "name": "(5-L-Glutamyl)-L-glutamate", + "names": [ + "(5-L-Glutamyl)-L-glutamate" + ] + }, + { + "compound_id": "C05283", + "inchi": "InChI=1S/C10H17N3O6/c11-5(9(16)17)1-4-8(15)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1", + "name": "(5-L-Glutamyl)-L-glutamine", + "names": [ + "(5-L-Glutamyl)-L-glutamine" + ] + }, + { + "compound_id": "C05284", + "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1", + "name": "11beta-Hydroxyandrost-4-ene-3,17-dione", + "names": [ + "11beta-Hydroxyandrost-4-ene-3,17-dione", + "4-Androsten-11beta-ol-3,17-dione", + "Androst-4-ene-3,17-dione-11beta-ol" + ] + }, + { + "compound_id": "C05285", + "inchi": "InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1", + "name": "Adrenosterone", + "names": [ + "Adrenosterone" + ] + }, + { + "compound_id": "C05290", + "inchi": "InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1", + "name": "19-Hydroxyandrost-4-ene-3,17-dione", + "names": [ + "19-Hydroxyandrost-4-ene-3,17-dione", + "19-Hydroxyandrostenedione" + ] + }, + { + "compound_id": "C05291", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15-,16+,17+,18+,19+/m1/s1", + "name": "7alpha-Hydroxytestosterone", + "names": [ + "7alpha-Hydroxytestosterone" + ] + }, + { + "compound_id": "C05293", + "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1", + "name": "5beta-Dihydrotestosterone", + "names": [ + "5beta-Dihydrotestosterone" + ] + }, + { + "compound_id": "C05294", + "inchi": "InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1", + "name": "19-Hydroxytestosterone", + "names": [ + "17beta,19-Dihydroxyandrost-4-en-3-one", + "19-Hydroxytestosterone" + ] + }, + { + "compound_id": "C05295", + "inchi": "InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1", + "name": "19-Oxotestosterone", + "names": [ + "19-Oxotestosterone" + ] + }, + { + "compound_id": "C05296", + "inchi": "InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1", + "name": "7alpha-Hydroxyandrost-4-ene-3,17-dione", + "names": [ + "7alpha-Hydroxyandrost-4-ene-3,17-dione", + "7alpha-Hydroxyandrostenedione" + ] + }, + { + "compound_id": "C05297", + "inchi": "InChI=1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15-,16-,18-,19+/m0/s1", + "name": "19-Oxoandrost-4-ene-3,17-dione", + "names": [ + "19-Oxoandrost-4-ene-3,17-dione", + "19-Oxoandrostenedione" + ] + }, + { + "compound_id": "C05298", + "inchi": "InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1", + "name": "2-Hydroxyestrone", + "names": [ + "2-Hydroxyestrone" + ] + }, + { + "compound_id": "C05299", + "inchi": "InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1", + "name": "2-Methoxyestrone", + "names": [ + "2-Methoxyestrone" + ] + }, + { + "compound_id": "C05300", + "inchi": "InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18-/m0/s1", + "name": "16alpha-Hydroxyestrone", + "names": [ + "16alpha-Hydroxyestrone" + ] + }, + { + "compound_id": "C05301", + "inchi": "InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1", + "name": "2-Hydroxyestradiol", + "names": [ + "2-Hydroxyestradiol", + "2-Hydroxyestradiol-17beta", + "2-OH-Estradiol" + ] + }, + { + "compound_id": "C05302", + "inchi": "InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", + "name": "2-Methoxyestradiol-17beta", + "names": [ + "2-Methoxyestradiol-17beta" + ] + }, + { + "compound_id": "C05305", + "inchi": null, + "name": "Ferricytochrome b-561", + "names": [ + "Ferricytochrome b-561" + ] + }, + { + "compound_id": "C05306", + "inchi": "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1", + "name": "Chlorophyll a", + "names": [ + "Chlorophyll a" + ] + }, + { + "compound_id": "C05307", + "inchi": "InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51?;/m1./s1", + "name": "Chlorophyll b", + "names": [ + "Chlorophyll b" + ] + }, + { + "compound_id": "C05308", + "inchi": "InChI=1S/C10H20O7P2/c1-5-10(4,8-6-7-9(2)3)16-19(14,15)17-18(11,12)13/h5,7H,1,6,8H2,2-4H3,(H,14,15)(H2,11,12,13)", + "name": "Linalyl diphosphate", + "names": [ + "LPP", + "Linalyl diphosphate" + ] + }, + { + "compound_id": "C05309", + "inchi": null, + "name": "Semiquinone", + "names": [ + "Benzosemiquinone", + "Semidione", + "Semiquinone", + "Semiquinone radical" + ] + }, + { + "compound_id": "C05312", + "inchi": null, + "name": "[Formate C-acetyltransferase]-glycin-2-yl radical", + "names": [ + "[Formate C-acetyltransferase]-glycin-2-yl radical" + ] + }, + { + "compound_id": "C05313", + "inchi": "InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+", + "name": "3-Hexaprenyl-4-hydroxy-5-methoxybenzoate", + "names": [ + "3-Hexaprenyl-4-hydroxy-5-methoxybenzoate" + ] + }, + { + "compound_id": "C05314", + "inchi": "InChI=1S/C17H19N/c1-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3", + "name": "N-Methyl-(R,S)-tetrahydrobenzylisoquinoline", + "names": [ + "N-Methyl-(R,S)-tetrahydrobenzylisoquinoline", + "N-Methyl-(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline" + ] + }, + { + "compound_id": "C05315", + "inchi": "InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1", + "name": "Palmatine", + "names": [ + "5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium", + "Palmatine" + ] + }, + { + "compound_id": "C05316", + "inchi": "InChI=1S/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3", + "name": "Dihydromacarpine", + "names": [ + "13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine", + "Dihydromacarpine" + ] + }, + { + "compound_id": "C05317", + "inchi": "InChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3", + "name": "Nororientaline", + "names": [ + "Nororientaline" + ] + }, + { + "compound_id": "C05318", + "inchi": "InChI=1S/C18H20N/c1-19-11-10-14-6-4-5-9-17(14)18(19)12-15-7-2-3-8-16(15)13-19/h2-9,18H,10-13H2,1H3/q+1/t18-,19-/m0/s1", + "name": "cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine", + "names": [ + "cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine" + ] + }, + { + "compound_id": "C05319", + "inchi": null, + "name": "[Cytochrome c] S-methylmethionine", + "names": [ + "[Cytochrome c] S-methyl-L-methionine", + "[Cytochrome c] S-methylmethionine" + ] + }, + { + "compound_id": "C05320", + "inchi": null, + "name": "Histone N(omega)-methyl-L-arginine", + "names": [ + "Histone N(omega)-methyl-L-arginine", + "Histone-N(omega)-methylarginine" + ] + }, + { + "compound_id": "C05321", + "inchi": null, + "name": "[Myeline basic protein] N(omega)-methyl-L-arginine", + "names": [ + "[Myelin basic protein]-N(omega)-methylarginine", + "[Myeline basic protein] N(omega)-methyl-L-arginine" + ] + }, + { + "compound_id": "C05322", + "inchi": "InChI=1S/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/t15-,17+,21+/m1/s1", + "name": "7-O-Acetylsalutaridinol", + "names": [ + "7-O-Acetylsalutaridinol", + "Salutaridinol acetate" + ] + }, + { + "compound_id": "C05324", + "inchi": "InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1", + "name": "Nicotianamine", + "names": [ + "Nicotianamine" + ] + }, + { + "compound_id": "C05325", + "inchi": "InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1", + "name": "Purine mononucleotide", + "names": [ + "Purine mononucleotide" + ] + }, + { + "compound_id": "C05326", + "inchi": null, + "name": "Uridylyl-[protein-PII]", + "names": [ + "P-II-UMP", + "Uridylyl-[protein-PII]", + "Uridylylated nitrogen regulatory protein P-II" + ] + }, + { + "compound_id": "C05328", + "inchi": "InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1", + "name": "D-2-Amino-hexano-6-lactam", + "names": [ + "D-2-Amino-hexano-6-lactam" + ] + }, + { + "compound_id": "C05329", + "inchi": null, + "name": "(2R)-2-Methylacyl-CoA", + "names": [ + "(2R)-2-Methylacyl-CoA" + ] + }, + { + "compound_id": "C05330", + "inchi": "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)", + "name": "Homocysteine", + "names": [ + "2-Amino-4-mercaptobutyric acid", + "Homocysteine" + ] + }, + { + "compound_id": "C05332", + "inchi": "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2", + "name": "Phenethylamine", + "names": [ + "2-Phenylethylamine", + "Phenethylamine", + "Phenylethylamine", + "beta-Phenylethylamine" + ] + }, + { + "compound_id": "C05334", + "inchi": "InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1", + "name": "4'-Methoxy-5,7-dihydroxyflavonone", + "names": [ + "4'-Methoxy-5,7-dihydroxyflavonone", + "4'-Methylnaringenin", + "Isosakuranetin" + ] + }, + { + "compound_id": "C05335", + "inchi": "InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1", + "name": "L-Selenomethionine", + "names": [ + "L-Selenomethionine" + ] + }, + { + "compound_id": "C05336", + "inchi": null, + "name": "Selenomethionyl-tRNA(Met)", + "names": [ + "Selenomethionyl-tRNA(Met)" + ] + }, + { + "compound_id": "C05337", + "inchi": "InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25+,26-,27-,28+,29+,30-,31-,34+,36-,37-,38?,42-,44+,45-/m1/s1", + "name": "Chenodeoxycholoyl-CoA", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-cholanoyl-CoA", + "Chenodeoxycholoyl-CoA" + ] + }, + { + "compound_id": "C05338", + "inchi": "InChI=1S/C29H42N7O18P3S/c1-29(2,24(41)27(42)32-8-7-19(38)31-9-10-58-20(39)11-16-3-5-17(37)6-4-16)13-51-57(48,49)54-56(46,47)50-12-18-23(53-55(43,44)45)22(40)28(52-18)36-15-35-21-25(30)33-14-34-26(21)36/h3-6,14-15,18,22-24,28,37,40-41H,7-13H2,1-2H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t18-,22-,23-,24?,28-/m1/s1", + "name": "4-Hydroxyphenylacetyl-CoA", + "names": [ + "4-Hydroxyphenylacetyl-CoA" + ] + }, + { + "compound_id": "C05339", + "inchi": "InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)", + "name": "Phosphinate", + "names": [ + "Hyopophosphite", + "Hypophosphorous acid", + "Phosphinate", + "Phosphinic acid" + ] + }, + { + "compound_id": "C05340", + "inchi": "InChI=1S/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t6-/m0/s1", + "name": "beta-Alanyl-L-arginine", + "names": [ + "beta-Alanyl-L-arginine" + ] + }, + { + "compound_id": "C05341", + "inchi": "InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1", + "name": "beta-Alanyl-L-lysine", + "names": [ + "beta-Alanyl-L-lysine" + ] + }, + { + "compound_id": "C05342", + "inchi": "InChI=1S/C11H15N5O5/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-18)8(20)7(19)5(1-17)21-11/h3-5,7-8,17-20H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1", + "name": "Psicofuranine", + "names": [ + "Angustmycin C", + "Psicofuranine" + ] + }, + { + "compound_id": "C05343", + "inchi": "InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1", + "name": "(R)-4-Hydroxymandelate", + "names": [ + "(R)-4-Hydroxymandelate" + ] + }, + { + "compound_id": "C05344", + "inchi": "InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,8+,9+,10+,11+,14+,15+/m0/s1", + "name": "GDP-4-dehydro-6-deoxy-L-mannose", + "names": [ + "GDP-4-dehydro-6-deoxy-L-mannose", + "GDP-4-oxo-6-deoxy-L-mannose", + "GDP-4-oxo-L-rhamnose" + ] + }, + { + "compound_id": "C05345", + "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1", + "name": "beta-D-Fructose 6-phosphate", + "names": [ + "beta-D-Fructose 6-phosphate" + ] + }, + { + "compound_id": "C05346", + "inchi": "InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21?,22?,23?,24?/m0/s1", + "name": "Allosamidine", + "names": [ + "Allosamidine" + ] + }, + { + "compound_id": "C05349", + "inchi": "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)", + "name": "Ciprofloxacin", + "names": [ + "Ciprofloxacin" + ] + }, + { + "compound_id": "C05350", + "inchi": "InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-", + "name": "2-Hydroxy-3-(4-hydroxyphenyl)propenoate", + "names": [ + "2-Hydroxy-3-(4-hydroxyphenyl)propenoate", + "4-Hydroxy-enol-phenylpyruvate" + ] + }, + { + "compound_id": "C05353", + "inchi": "InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)", + "name": "TES", + "names": [ + "N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid", + "TES" + ] + }, + { + "compound_id": "C05354", + "inchi": "InChI=1S/C4H7/c1-4-2-3-4/h4H,1-3H2/q-1", + "name": "Cyclopropylcarbinyl cation", + "names": [ + "Cyclopropylcarbinyl cation" + ] + }, + { + "compound_id": "C05356", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1", + "name": "5(S)-HPETE", + "names": [ + "(5S,6E,8Z,11Z,14Z)-5-Hydroperoxyicosa-6,8,11,14-tetraenoate", + "(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoate", + "(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoic acid", + "5(S)-HPETE", + "5(S)-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid" + ] + }, + { + "compound_id": "C05357", + "inchi": null, + "name": "Oxidized azurin", + "names": [ + "Azurinox", + "Oxidized azurin" + ] + }, + { + "compound_id": "C05358", + "inchi": null, + "name": "Reduced azurin", + "names": [ + "Azurinred", + "Reduced azurin" + ] + }, + { + "compound_id": "C05359", + "inchi": null, + "name": "e-", + "names": [ + "Electron", + "e-" + ] + }, + { + "compound_id": "C05360", + "inchi": "InChI=1S/H2N2/c1-2/h1-2H", + "name": "Diimine", + "names": [ + "Diimine" + ] + }, + { + "compound_id": "C05361", + "inchi": "InChI=1S/H4N2/c1-2/h1-2H2", + "name": "Hydrazine", + "names": [ + "Hydrazine" + ] + }, + { + "compound_id": "C05364", + "inchi": "InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1-", + "name": "4-Carboxy-2-oxo-3-hexenedioate", + "names": [ + "4-Carboxy-2-oxo-3-hexenedioate" + ] + }, + { + "compound_id": "C05365", + "inchi": null, + "name": "E-Coniferyl alcohol", + "names": [ + "E-Coniferyl alcohol" + ] + }, + { + "compound_id": "C05366", + "inchi": "InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1", + "name": "(+)-Pinoresinol", + "names": [ + "(+)-Pinoresinol" + ] + }, + { + "compound_id": "C05370", + "inchi": "InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45-,46-,50+/m0/s1", + "name": "Calyculin A", + "names": [ + "Calyculin A" + ] + }, + { + "compound_id": "C05371", + "inchi": "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1", + "name": "Microcystin-LR", + "names": [ + "Microcystin-LR" + ] + }, + { + "compound_id": "C05372", + "inchi": "InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1", + "name": "Tautomycin", + "names": [ + "Tautomycin" + ] + }, + { + "compound_id": "C05375", + "inchi": "InChI=1S/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)", + "name": "2-Hydroxy-2-hydropyrone-4,6-dicarboxylate", + "names": [ + "2-Hydroxy-2-hydropyrone-4,6-dicarboxylate" + ] + }, + { + "compound_id": "C05376", + "inchi": "InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1", + "name": "Biochanin A-beta-D-glucoside", + "names": [ + "Biochanin A 7-O-beta-D-glucoside", + "Biochanin A-beta-D-glucoside", + "Sissotrin" + ] + }, + { + "compound_id": "C05377", + "inchi": "InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3", + "name": "Menadione", + "names": [ + "2-Methyl-1,4-naphthoquinone", + "Menadione", + "Vitamin K3" + ] + }, + { + "compound_id": "C05378", + "inchi": "InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1", + "name": "beta-D-Fructose 1,6-bisphosphate", + "names": [ + "beta-D-Fructose 1,6-bisphosphate" + ] + }, + { + "compound_id": "C05379", + "inchi": "InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)", + "name": "Oxalosuccinate", + "names": [ + "Oxalosuccinate", + "Oxalosuccinic acid" + ] + }, + { + "compound_id": "C05380", + "inchi": "InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)", + "name": "Nicotinurate", + "names": [ + "Nicotinurate", + "Nicotinuric acid", + "Nicotinylglycine" + ] + }, + { + "compound_id": "C05381", + "inchi": "InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1", + "name": "3-Carboxy-1-hydroxypropyl-ThPP", + "names": [ + "3-Carboxy-1-hydroxypropyl-ThPP" + ] + }, + { + "compound_id": "C05382", + "inchi": "InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1", + "name": "Sedoheptulose 7-phosphate", + "names": [ + "D-Sedoheptulose 7-phosphate", + "D-altro-Heptulose 7-phosphate", + "Sedoheptulose 7-phosphate", + "altro-Heptulose 7-phosphate" + ] + }, + { + "compound_id": "C05383", + "inchi": null, + "name": "Aminosugars", + "names": [ + "Aminosugars" + ] + }, + { + "compound_id": "C05385", + "inchi": "InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6+/m0/s1", + "name": "D-Glucuronate 1-phosphate", + "names": [ + "1-Phospho-alpha-D-glucuronate", + "1-phospho--d-glucuronate", + "D-Glucuronate 1-phosphate" + ] + }, + { + "compound_id": "C05386", + "inchi": "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7-,8+,9+,10+,11+,14+,15+/m0/s1", + "name": "GDP-6-deoxy-L-mannose", + "names": [ + "GDP-6-deoxy-L-mannose", + "GDP-L-rhamnose" + ] + }, + { + "compound_id": "C05392", + "inchi": "InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4-,5+,6-,7-,8?,11+,12-/m0/s1", + "name": "Oligouronide with 4-deoxy-alpha-L-erythro-hex-4-enopyranuronosyl group", + "names": [ + "Oligouronide with 4-deoxy-alpha-L-erythro-hex-4-enopyranuronosyl group" + ] + }, + { + "compound_id": "C05394", + "inchi": "InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m1/s1", + "name": "3-Keto-beta-D-galactose", + "names": [ + "3-Keto-beta-D-galactose" + ] + }, + { + "compound_id": "C05396", + "inchi": "InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10?,11?,12?/m1/s1", + "name": "Lactose 6-phosphate", + "names": [ + "Lactose 6-phosphate" + ] + }, + { + "compound_id": "C05399", + "inchi": "InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10-,11+,12-/m0/s1", + "name": "Melibiitol", + "names": [ + "6-O-alpha-D-Galactosyl-D-glucitol", + "Melibiitol" + ] + }, + { + "compound_id": "C05400", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9+,10-,11?,12+/m1/s1", + "name": "Epimelibiose", + "names": [ + "6-O-(alpha-D-Galactopyranosyl)-D-mannopyranose", + "Epimelibiose" + ] + }, + { + "compound_id": "C05401", + "inchi": "InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1", + "name": "3-beta-D-Galactosyl-sn-glycerol", + "names": [ + "3-beta-D-Galactosyl-sn-glycerol", + "Galactosylglycerol" + ] + }, + { + "compound_id": "C05402", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11?,12+/m1/s1", + "name": "Melibiose", + "names": [ + "6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose", + "D-Gal-alpha1->6D-Glucose", + "Melibiose", + "d-melibiose" + ] + }, + { + "compound_id": "C05403", + "inchi": "InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10?,11?,12?/m1/s1", + "name": "3-Ketolactose", + "names": [ + "3-Ketolactose", + "3-oxolactose" + ] + }, + { + "compound_id": "C05404", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11+,12+,13-,14-,15-,16?,17+,18+/m1/s1", + "name": "D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose", + "names": [ + "D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose", + "D-Gal-alpha1->6D-Gal-alpha1->6D-Glucose", + "Manninotriose" + ] + }, + { + "compound_id": "C05405", + "inchi": "InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3-,4+/m0/s1", + "name": "L-Arabinono-1,5-lactone", + "names": [ + "L-Arabinono-1,5-lactone" + ] + }, + { + "compound_id": "C05406", + "inchi": "InChI=1S/C5H6O5/c6-2-3(7)1-4(8)5(9)10/h6H,1-2H2,(H,9,10)", + "name": "5-Hydroxy-2,4-dioxopentanoate", + "names": [ + "5-Hydroxy-2,4-dioxopentanoate" + ] + }, + { + "compound_id": "C05410", + "inchi": "InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m1/s1", + "name": "Gulono-1,4-lactone", + "names": [ + "Gulono-1,4-lactone", + "Gulonolactone" + ] + }, + { + "compound_id": "C05411", + "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1", + "name": "L-Xylonate", + "names": [ + "L-Xylonate", + "L-Xylonic acid" + ] + }, + { + "compound_id": "C05412", + "inchi": "InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4+/m0/s1", + "name": "L-Lyxonate", + "names": [ + "L-Lyxonate", + "L-Lyxonic acid" + ] + }, + { + "compound_id": "C05413", + "inchi": "InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", + "name": "Phytoene", + "names": [ + "Phytoene" + ] + }, + { + "compound_id": "C05414", + "inchi": "InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", + "name": "all-trans-Phytofluene", + "names": [ + "all-trans-Phytofluene" + ] + }, + { + "compound_id": "C05416", + "inchi": "InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "5-Cholestene", + "names": [ + "5-Cholestene", + "Cholest-5-ene" + ] + }, + { + "compound_id": "C05417", + "inchi": "InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1", + "name": "5,6beta-Epoxy-5beta-cholestane", + "names": [ + "5,6beta-Epoxy-5beta-cholestane" + ] + }, + { + "compound_id": "C05418", + "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1", + "name": "Cholesterol-5beta,6beta-epoxide", + "names": [ + "5,6beta-Epoxy-5beta-cholestan-3beta-ol", + "5beta,6beta-Epoxycholestan-3beta-ol", + "Cholesterol-5beta,6beta-epoxide" + ] + }, + { + "compound_id": "C05421", + "inchi": "InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", + "name": "15-cis-Phytoene", + "names": [ + "15-cis-Phytoene" + ] + }, + { + "compound_id": "C05422", + "inchi": "InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1", + "name": "Dehydroascorbate", + "names": [ + "Dehydroascorbate", + "Dehydroascorbic acid", + "L-Dehydroascorbate", + "L-Dehydroascorbic acid" + ] + }, + { + "compound_id": "C05423", + "inchi": "InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24-27(28-24)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1", + "name": "5,6alpha-Epoxy-5alpha-cholestane", + "names": [ + "5,6alpha-Epoxy-5alpha-cholestane" + ] + }, + { + "compound_id": "C05424", + "inchi": "InChI=1S/C27H48O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1", + "name": "5alpha-Cholestan-5alpha,6beta-diol", + "names": [ + "5alpha-Cholestan-5alpha,6beta-diol" + ] + }, + { + "compound_id": "C05425", + "inchi": "InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1", + "name": "3beta,5alpha,6beta-Cholestanetriol", + "names": [ + "3beta,5alpha,6beta-Cholestanetriol", + "Cholestane-3beta-5alpha,6beta-triol" + ] + }, + { + "compound_id": "C05426", + "inchi": null, + "name": "RING", + "names": [ + "RING" + ] + }, + { + "compound_id": "C05427", + "inchi": "InChI=1S/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+/t18-,19-/m1/s1", + "name": "Phytyl diphosphate", + "names": [ + "Phytyl diphosphate" + ] + }, + { + "compound_id": "C05430", + "inchi": "InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", + "name": "all-trans-zeta-Carotene", + "names": [ + "all-trans-zeta-Carotene" + ] + }, + { + "compound_id": "C05431", + "inchi": "InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", + "name": "all-trans-Neurosporene", + "names": [ + "all-trans-Neurosporene" + ] + }, + { + "compound_id": "C05432", + "inchi": "InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", + "name": "Lycopene", + "names": [ + "Lycopene", + "all-trans-Lycopene" + ] + }, + { + "compound_id": "C05433", + "inchi": "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+", + "name": "alpha-Carotene", + "names": [ + "alpha-Carotene" + ] + }, + { + "compound_id": "C05434", + "inchi": "InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27,29-30H,13,15,17,21,26,28,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", + "name": "beta-Zeacarotene", + "names": [ + "beta-Zeacarotene" + ] + }, + { + "compound_id": "C05435", + "inchi": "InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", + "name": "gamma-Carotene", + "names": [ + "gamma-Carotene" + ] + }, + { + "compound_id": "C05437", + "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1", + "name": "Zymosterol", + "names": [ + "(3,5)-cholesta-8,24-diene-3-ol", + "5alpha-Cholesta-8,24-dien-3beta-ol", + "Zymosterol", + "delta8,24-Cholestadien-3beta-ol" + ] + }, + { + "compound_id": "C05439", + "inchi": "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25?,26+,27-/m1/s1", + "name": "5alpha-Cholesta-7,24-dien-3beta-ol", + "names": [ + "(3,5)-cholesta-7,24-diene-3-ol", + "5alpha-Cholesta-7,24-dien-3beta-ol" + ] + }, + { + "compound_id": "C05440", + "inchi": "InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24?,25?,26?,27+,28-/m1/s1", + "name": "Ergosta-5,7,22,24(28)-tetraen-3beta-ol", + "names": [ + "5,7,22,24(28)-Ergostatetraenol", + "Ergosta-5,7,22,24(24(1))-tetraen-3beta-ol", + "Ergosta-5,7,22,24(28)-tetraen-3beta-ol" + ] + }, + { + "compound_id": "C05441", + "inchi": "InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1", + "name": "Vitamin D2", + "names": [ + "Ergocalciferol", + "Vitamin D2" + ] + }, + { + "compound_id": "C05442", + "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "Stigmasterol", + "names": [ + "Stigmasterol" + ] + }, + { + "compound_id": "C05443", + "inchi": "InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1", + "name": "Vitamin D3", + "names": [ + "Cholecalciferol", + "Vitamin D3" + ] + }, + { + "compound_id": "C05444", + "inchi": "InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "3alpha,7alpha,26-Trihydroxy-5beta-cholestane", + "names": [ + "3alpha,7alpha,26-Trihydroxy-5beta-cholestane", + "5beta-Cholestane-3alpha,7alpha,26-triol" + ] + }, + { + "compound_id": "C05445", + "inchi": "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al" + ] + }, + { + "compound_id": "C05446", + "inchi": "InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane", + "names": [ + "3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane", + "5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol", + "5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol" + ] + }, + { + "compound_id": "C05447", + "inchi": "InChI=1S/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b27-9+/t26?,28-,29+,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", + "name": "3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA" + ] + }, + { + "compound_id": "C05448", + "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,32?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", + "name": "3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA", + "names": [ + "3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA" + ] + }, + { + "compound_id": "C05449", + "inchi": "InChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25?,26?,27-,28+,29?,30?,31?,33+,34+,36?,38+,39+,40?,44+,47-,48+/m0/s1", + "name": "3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA" + ] + }, + { + "compound_id": "C05450", + "inchi": "InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1", + "name": "3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA", + "names": [ + "3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA", + "3alpha,7alpha,12alpha,24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA" + ] + }, + { + "compound_id": "C05451", + "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "7alpha-Hydroxy-5beta-cholestan-3-one", + "names": [ + "5beta-Cholestan-7alpha-ol-3-one", + "7alpha-Hydroxy-5beta-cholestan-3-one" + ] + }, + { + "compound_id": "C05452", + "inchi": "InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "3alpha,7alpha-Dihydroxy-5beta-cholestane", + "names": [ + "3alpha,7alpha-Dihydroxy-5beta-cholestane", + "5beta-Cholestane-3alpha,7alpha-diol" + ] + }, + { + "compound_id": "C05453", + "inchi": "InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one", + "names": [ + "5beta-Cholesten-7alpha,12alpha-diol-3-one", + "7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one" + ] + }, + { + "compound_id": "C05454", + "inchi": "InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane", + "3alpha,7alpha,12alpha-Trihydroxycoprostane", + "5beta-Cholestane-3alpha,7alpha,12alpha-triol" + ] + }, + { + "compound_id": "C05455", + "inchi": "InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "7alpha-Hydroxycholest-4-en-3-one", + "names": [ + "7alpha-Hydroxycholest-4-en-3-one" + ] + }, + { + "compound_id": "C05458", + "inchi": "InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one", + "names": [ + "7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one" + ] + }, + { + "compound_id": "C05460", + "inchi": "InChI=1S/C48H78N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/b26-9+/t25?,27-,28+,29?,30?,31?,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1", + "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA" + ] + }, + { + "compound_id": "C05463", + "inchi": "InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16?,17?,18-,19?,20?,21?,22?,23+,25+,26-/m1/s1", + "name": "Taurodeoxycholate", + "names": [ + "Taurodeoxycholate", + "Taurodeoxycholic acid" + ] + }, + { + "compound_id": "C05464", + "inchi": "InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1", + "name": "Glycodeoxycholate", + "names": [ + "Glycodeoxycholate", + "Glycodeoxycholic acid" + ] + }, + { + "compound_id": "C05465", + "inchi": "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1", + "name": "Taurochenodeoxycholate", + "names": [ + "Chenodeoxycholoyltaurine", + "Taurochenodeoxycholate", + "Taurochenodeoxycholic acid" + ] + }, + { + "compound_id": "C05466", + "inchi": "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1", + "name": "Glycochenodeoxycholate", + "names": [ + "Chenodeoxyglycocholate", + "Glycochenodeoxycholate", + "Glycochenodeoxycholic acid" + ] + }, + { + "compound_id": "C05467", + "inchi": "InChI=1S/C48H78N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-30,32-34,36,38-40,44,56,58-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24?,25?,26-,27+,28?,29-,30-,32+,33+,34-,36?,38+,39+,40?,44+,47?,48?/m0/s1", + "name": "3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA", + "3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA" + ] + }, + { + "compound_id": "C05468", + "inchi": "InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16?,17?,18?,19-,20?,21?,22?,23-,24+,25?,26?,27?/m1/s1", + "name": "5beta-Cyprinolsulfate", + "names": [ + "5beta-Cyprinolsulfate" + ] + }, + { + "compound_id": "C05469", + "inchi": "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1", + "name": "17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione", + "names": [ + "17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione", + "4,5beta-Dihydrocortisone", + "5-Pregnane-17,21-diol-3,11,20-trione", + "5-pregnane-17,21-diol-3,11,20-trione", + "5beta-Pregnane-17alpha,21-diol-3,11,20-trione" + ] + }, + { + "compound_id": "C05470", + "inchi": "InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1", + "name": "Tetrahydrocortisone", + "names": [ + "Tetrahydrocortisone", + "Urocortisone" + ] + }, + { + "compound_id": "C05471", + "inchi": "InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1", + "name": "11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione", + "names": [ + "11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione", + "5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione" + ] + }, + { + "compound_id": "C05472", + "inchi": "InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1", + "name": "Urocortisol", + "names": [ + "5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one", + "Tetrahydrocortisol", + "Urocortisol" + ] + }, + { + "compound_id": "C05473", + "inchi": "InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-12,14-17,19,22,25H,2-10H2,1H3", + "name": "11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al", + "names": [ + "11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al" + ] + }, + { + "compound_id": "C05474", + "inchi": "InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16-,17+,19-,20+,21-/m1/s1", + "name": "3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al", + "names": [ + "3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al" + ] + }, + { + "compound_id": "C05475", + "inchi": "InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3", + "name": "11beta,21-Dihydroxy-5beta-pregnane-3,20-dione", + "names": [ + "11beta,21-Dihydroxy-5beta-pregnane-3,20-dione", + "5beta-Pregnane-11beta,21-diol-3,20-dione" + ] + }, + { + "compound_id": "C05476", + "inchi": "InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1", + "name": "Tetrahydrocorticosterone", + "names": [ + "Tetrahydrocorticosterone" + ] + }, + { + "compound_id": "C05477", + "inchi": "InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12?,14-,15-,16?,19+,20-,21-/m0/s1", + "name": "21-Hydroxy-5beta-pregnane-3,11,20-trione", + "names": [ + "21-Hydroxy-5beta-pregnane-3,11,20-trione" + ] + }, + { + "compound_id": "C05478", + "inchi": "InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,19?,20?,21?/m1/s1", + "name": "3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione", + "names": [ + "3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione", + "5beta-Pregnane-3alpha,21-diol-11,20-dione" + ] + }, + { + "compound_id": "C05479", + "inchi": "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1", + "name": "5beta-Pregnane-3,20-dione", + "names": [ + "5beta-Pregnane-3,20-dione" + ] + }, + { + "compound_id": "C05480", + "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16?,17?,18?,19?,20?,21?/m1/s1", + "name": "3alpha-Hydroxy-5beta-pregnane-20-one", + "names": [ + "3alpha-Hydroxy-5beta-pregnane-20-one" + ] + }, + { + "compound_id": "C05481", + "inchi": "InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1", + "name": "Cortolone", + "names": [ + "Cortolone" + ] + }, + { + "compound_id": "C05482", + "inchi": "InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1", + "name": "Cortol", + "names": [ + "Cortol" + ] + }, + { + "compound_id": "C05483", + "inchi": "InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,18-19,22-23,25H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,18?,19?,20?,21?/m1/s1", + "name": "3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one", + "names": [ + "3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one" + ] + }, + { + "compound_id": "C05484", + "inchi": "InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "Pregnanediol", + "names": [ + "5beta-Pregnane-3alpha,20alpha-diol", + "Diol", + "Pregnandiol", + "Pregnanediol" + ] + }, + { + "compound_id": "C05485", + "inchi": "InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14?,15-,16-,17-,18+,20-,21-/m0/s1", + "name": "21-Hydroxypregnenolone", + "names": [ + "21-Hydroxypregnenolone" + ] + }, + { + "compound_id": "C05487", + "inchi": "InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1", + "name": "17alpha,21-Dihydroxypregnenolone", + "names": [ + "17alpha,21-Dihydroxypregnenolone" + ] + }, + { + "compound_id": "C05488", + "inchi": "InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1", + "name": "11-Deoxycortisol", + "names": [ + "11-Deoxycortisol", + "Cortodoxone" + ] + }, + { + "compound_id": "C05489", + "inchi": "InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13?,14?,15?,16?,18?,19?,20?,21-/m0/s1", + "name": "11beta,17alpha,21-Trihydroxypregnenolone", + "names": [ + "11beta,17alpha,21-Trihydroxypregnenolone" + ] + }, + { + "compound_id": "C05490", + "inchi": "InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3", + "name": "11-Dehydrocorticosterone", + "names": [ + "11-Dehydrocorticosterone" + ] + }, + { + "compound_id": "C05497", + "inchi": "InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17?,18+,19-,20-,21-/m0/s1", + "name": "21-Deoxycortisol", + "names": [ + "11beta,17alpha-Dihydroxyprogesterone", + "21-Deoxycortisol", + "4-Pregnene-11beta,17alpha-diol-3,20-dione" + ] + }, + { + "compound_id": "C05498", + "inchi": "InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1", + "name": "11beta-Hydroxyprogesterone", + "names": [ + "11beta-Hydroxyprogesterone" + ] + }, + { + "compound_id": "C05499", + "inchi": "InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22-,23-,24-,25-,26-,27+/m0/s1", + "name": "17alpha,20alpha-Dihydroxycholesterol", + "names": [ + "17alpha,20alpha-Dihydroxycholesterol" + ] + }, + { + "compound_id": "C05500", + "inchi": "InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1", + "name": "20alpha-Hydroxycholesterol", + "names": [ + "20-Hydroxycholesterol", + "20alpha-Hydroxycholesterol" + ] + }, + { + "compound_id": "C05501", + "inchi": "InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1", + "name": "20alpha,22beta-Dihydroxycholesterol", + "names": [ + "(22R)-20alpha,22-Dihydroxycholesterol", + "20alpha,22beta-Dihydroxycholesterol" + ] + }, + { + "compound_id": "C05502", + "inchi": "InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1", + "name": "22beta-Hydroxycholesterol", + "names": [ + "(22R)-22-Hydroxycholesterol", + "22beta-Hydroxycholesterol" + ] + }, + { + "compound_id": "C05503", + "inchi": "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", + "name": "Estradiol-17beta 3-glucuronide", + "names": [ + "17beta-Estradiol 3-(beta-D-glucuronide)", + "Estradiol-17beta 3-glucuronide" + ] + }, + { + "compound_id": "C05504", + "inchi": "InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1", + "name": "16-Glucuronide-estriol", + "names": [ + "16-Glucuronide-estriol", + "16alpha,17beta-Estriol 16-(beta-D-glucuronide)" + ] + }, + { + "compound_id": "C05512", + "inchi": "InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1", + "name": "Deoxyinosine", + "names": [ + "2 '-deoxyinosine", + "2'-Deoxyinosine", + "2'-deoxyinosine", + "Deoxyinosine" + ] + }, + { + "compound_id": "C05513", + "inchi": "InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H2,11,12,19)(H,13,18,20)/t2-,4-,5-,8-/m1/s1", + "name": "Urate-3-ribonucleoside", + "names": [ + "Urate-3-ribonucleoside", + "Uric acid ribonucleoside" + ] + }, + { + "compound_id": "C05515", + "inchi": "InChI=1S/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12)", + "name": "5-Ureido-4-imidazole carboxylate", + "names": [ + "4-Ureido-5-imidazolecarboxylic acid", + "5-Ureido-4-imidazole carboxylate" + ] + }, + { + "compound_id": "C05516", + "inchi": "InChI=1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)", + "name": "5-Amino-4-imidazole carboxylate", + "names": [ + "4-Amino-5-imidazolecarboxylic acid", + "5-Amino-4-imidazole carboxylate" + ] + }, + { + "compound_id": "C05519", + "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1", + "name": "L-Allothreonine", + "names": [ + "L-Allothreonine", + "L-allo-Threonine" + ] + }, + { + "compound_id": "C05520", + "inchi": "InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)", + "name": "2-Amino-3-oxoadipate", + "names": [ + "2-Amino-3-oxoadipate", + "2-Amino-3-oxohexanedioic acid" + ] + }, + { + "compound_id": "C05524", + "inchi": null, + "name": "Aminoacyl-L-methionine", + "names": [ + "Aminoacyl-L-methionine" + ] + }, + { + "compound_id": "C05526", + "inchi": "InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7-,8-/m0/s1", + "name": "S-Glutathionyl-L-cysteine", + "names": [ + "S-Glutathionyl-L-cysteine" + ] + }, + { + "compound_id": "C05527", + "inchi": "InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)", + "name": "3-Sulfinylpyruvate", + "names": [ + "3-Sulfinopyruvate", + "3-Sulfinylpyruvate" + ] + }, + { + "compound_id": "C05528", + "inchi": "InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)", + "name": "3-Sulfopyruvate", + "names": [ + "3-Sulfopyruvate", + "3-Sulfopyruvic acid" + ] + }, + { + "compound_id": "C05529", + "inchi": "InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)", + "name": "Thiosulfuric acid", + "names": [ + "Thiosulfuric acid" + ] + }, + { + "compound_id": "C05533", + "inchi": "InChI=1S/C7H8O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3H,1-2H2,(H,8,9)(H,11,12)(H,13,14)", + "name": "Oxaloglutarate", + "names": [ + "Oxaloglutarate" + ] + }, + { + "compound_id": "C05535", + "inchi": null, + "name": "alpha-Aminoadipoyl-S-acyl enzyme", + "names": [ + "Aminoadip.-S", + "alpha-Aminoadipoyl-S-acyl enzyme" + ] + }, + { + "compound_id": "C05537", + "inchi": "InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)", + "name": "N-Succinyl-2-amino-6-oxopimelate", + "names": [ + "N-Succinyl-2-amino-6-oxopimelate" + ] + }, + { + "compound_id": "C05539", + "inchi": "InChI=1S/C9H13NO6/c1-5(11)10-6(8(13)14)3-2-4-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t6-/m0/s1", + "name": "N-Acetyl-L-2-amino-6-oxopimelate", + "names": [ + "L-2-Acetamido-6-oxoheptanedioate", + "L-2-Acetamido-6-oxopimelate", + "N-Acetyl-L-2-amino-6-oxopimelate" + ] + }, + { + "compound_id": "C05544", + "inchi": null, + "name": "Protein N6-methyl-L-lysine", + "names": [ + "Protein N6-methyl-L-lysine" + ] + }, + { + "compound_id": "C05545", + "inchi": null, + "name": "Protein N6,N6-dimethyl-L-lysine", + "names": [ + "Protein N6,N6-dimethyl-L-lysine" + ] + }, + { + "compound_id": "C05546", + "inchi": null, + "name": "Protein N6,N6,N6-trimethyl-L-lysine", + "names": [ + "Protein N6,N6,N6-trimethyl-L-lysine" + ] + }, + { + "compound_id": "C05548", + "inchi": "InChI=1S/C8H13NO4/c1-6(10)9-5-3-2-4-7(11)8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)", + "name": "6-Acetamido-2-oxohexanoate", + "names": [ + "2-Oxo-6-acetamidocaproate", + "6-Acetamido-2-oxohexanoate" + ] + }, + { + "compound_id": "C05551", + "inchi": "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1", + "name": "Penicillin G", + "names": [ + "Benzylpenicillin", + "Penicillin G", + "penicillin g-" + ] + }, + { + "compound_id": "C05552", + "inchi": "InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11?,12-,14?/m0/s1", + "name": "Biocytin", + "names": [ + "Biocytin", + "N6-D-Biotinyl-L-lysine", + "epsilon-N-Biotinyl-L-lysine" + ] + }, + { + "compound_id": "C05554", + "inchi": "InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/t15-,16-/m0/s1", + "name": "Aerobactin", + "names": [ + "Aerobactin" + ] + }, + { + "compound_id": "C05556", + "inchi": "InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9?,11+/m0/s1", + "name": "delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine", + "names": [ + "ACV", + "L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine", + "N-[L-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine", + "delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine" + ] + }, + { + "compound_id": "C05557", + "inchi": "InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1", + "name": "Isopenicillin N", + "names": [ + "Isopenicillin N" + ] + }, + { + "compound_id": "C05560", + "inchi": "InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8+,11+,12+,15+/m0/s1", + "name": "L-2-Aminoadipate adenylate", + "names": [ + "5-Adenylyl-2-aminoadipate", + "L-2-Aminoadipate adenylate", + "alpha-Aminoadipoyl-C6-AMP" + ] + }, + { + "compound_id": "C05562", + "inchi": "InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)", + "name": "1H-Imidazole-4-methanol", + "names": [ + "1H-Imidazole-4-methanol", + "Imidazole-4-methanol" + ] + }, + { + "compound_id": "C05565", + "inchi": "InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)", + "name": "Hydantoin-5-propionate", + "names": [ + "Hydantoin-5-propionate", + "Hydantoin-propionate" + ] + }, + { + "compound_id": "C05568", + "inchi": "InChI=1S/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)", + "name": "Imidazole lactate", + "names": [ + "2-Hydroxy-3-(1H-imidazol-5-yl)-propanoic acid", + "Imidazole lactate", + "Imidazole lactic acid" + ] + }, + { + "compound_id": "C05570", + "inchi": "InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1", + "name": "Ergothioneine", + "names": [ + "Ergothioneine" + ] + }, + { + "compound_id": "C05571", + "inchi": "InChI=1S/C6H6N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h1-3H,(H,9,10)(H2,7,8,11)/b2-1+", + "name": "Thiourocanic acid", + "names": [ + "Thiourocanic acid" + ] + }, + { + "compound_id": "C05572", + "inchi": "InChI=1S/C5H7NO4/c6-5(10)3(7)1-2-4(8)9/h1-2H2,(H2,6,10)(H,8,9)", + "name": "4-Oxoglutaramate", + "names": [ + "4-Ketoglutaramate", + "4-Oxoglutaramate" + ] + }, + { + "compound_id": "C05574", + "inchi": "InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)", + "name": "Isoglutamate", + "names": [ + "3-Aminopentanedioic acid", + "Isoglutamate", + "Isoglutamic acid" + ] + }, + { + "compound_id": "C05575", + "inchi": "InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1", + "name": "Hercynine", + "names": [ + "Hercynine", + "Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine" + ] + }, + { + "compound_id": "C05576", + "inchi": "InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2", + "name": "3,4-Dihydroxyphenylethyleneglycol", + "names": [ + "3,4-Dihydroxyphenylethyleneglycol" + ] + }, + { + "compound_id": "C05577", + "inchi": "InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H", + "name": "3,4-Dihydroxymandelaldehyde", + "names": [ + "3,4-Dihydroxymandelaldehyde", + "3,4-Dihydroxyphenylglycolaldehyde" + ] + }, + { + "compound_id": "C05578", + "inchi": "InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H", + "name": "5,6-Dihydroxyindole", + "names": [ + "5,6-Dihydroxyindole", + "DHI" + ] + }, + { + "compound_id": "C05579", + "inchi": "InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H", + "name": "Indole-5,6-quinone", + "names": [ + "Indole-5,6-quinone" + ] + }, + { + "compound_id": "C05580", + "inchi": "InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)", + "name": "3,4-Dihydroxymandelate", + "names": [ + "3,4-Dihydroxymandelate", + "3,4-Dihydroxymandelic acid", + "Dihydroxymandelic acid" + ] + }, + { + "compound_id": "C05581", + "inchi": "InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3", + "name": "3-Methoxy-4-hydroxyphenylacetaldehyde", + "names": [ + "(4-Hydroxy-3-methoxyphenyl)acetaldehyde", + "3-Methoxy-4-hydroxyphenylacetaldehyde", + "Homovanillin" + ] + }, + { + "compound_id": "C05582", + "inchi": "InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)", + "name": "Homovanillate", + "names": [ + "3-Methoxy-4-hydroxyphenylacetate", + "Homovanillate", + "Homovanillic acid" + ] + }, + { + "compound_id": "C05583", + "inchi": "InChI=1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3", + "name": "3-Methoxy-4-hydroxyphenylglycolaldehyde", + "names": [ + "3-Methoxy-4-hydroxyphenylglycolaldehyde" + ] + }, + { + "compound_id": "C05584", + "inchi": "InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)", + "name": "3-Methoxy-4-hydroxymandelate", + "names": [ + "3-Methoxy-4-hydroxymandelate", + "Vanillylmandelic acid" + ] + }, + { + "compound_id": "C05585", + "inchi": "InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H", + "name": "Gentisate aldehyde", + "names": [ + "2,5-Dihydroxybenzaldehyde", + "Gentisate aldehyde" + ] + }, + { + "compound_id": "C05587", + "inchi": "InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3", + "name": "3-Methoxytyramine", + "names": [ + "3-Methoxytyramine" + ] + }, + { + "compound_id": "C05588", + "inchi": "InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3/t9-/m0/s1", + "name": "L-Metanephrine", + "names": [ + "L-Metanephrine" + ] + }, + { + "compound_id": "C05589", + "inchi": "InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m0/s1", + "name": "L-Normetanephrine", + "names": [ + "L-Normetanephrine" + ] + }, + { + "compound_id": "C05590", + "inchi": "InChI=1S/HI/h1H", + "name": "Hydroiodic acid", + "names": [ + "Hydrogen iodide", + "Hydroiodic acid" + ] + }, + { + "compound_id": "C05592", + "inchi": "InChI=1S/C8H8O6/c9-6(10)2-1-5(3-7(11)12)4-8(13)14/h1-3H,4H2,(H,9,10)(H,11,12)(H,13,14)/b2-1+,5-3-", + "name": "3-Carboxymethylmuconate", + "names": [ + "3-Carboxymethylmuconate" + ] + }, + { + "compound_id": "C05593", + "inchi": "InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)", + "name": "3-Hydroxyphenylacetate", + "names": [ + "3-Hydroxyphenylacetate", + "3-Hydroxyphenylacetic acid" + ] + }, + { + "compound_id": "C05594", + "inchi": "InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3", + "name": "3-Methoxy-4-hydroxyphenylethyleneglycol", + "names": [ + "3-Methoxy-4-hydroxyphenylethyleneglycol" + ] + }, + { + "compound_id": "C05595", + "inchi": "InChI=1S/C13H15NO6/c15-9-3-1-8(2-4-9)7-11(16)14-10(13(19)20)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)", + "name": "4-Hydroxyphenylacetylglutamic acid", + "names": [ + "4-Hydroxyphenylacetylglutamate", + "4-Hydroxyphenylacetylglutamic acid", + "p-Hydroxyphenylacetylglutamate", + "p-Hydroxyphenylacetylglutamic acid" + ] + }, + { + "compound_id": "C05596", + "inchi": "InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)", + "name": "p-Hydroxyphenylacetylglycine", + "names": [ + "4-Hydroxyphenylacetylglycine", + "p-Hydroxyphenylacetylglycine" + ] + }, + { + "compound_id": "C05598", + "inchi": "InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)", + "name": "Phenylacetylglycine", + "names": [ + "Phenylacetylglycine" + ] + }, + { + "compound_id": "C05600", + "inchi": "InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-3,8H,4H2,(H,9,10)(H,11,12)/b2-1+,5-3-", + "name": "2-Hydroxyhepta-2,4-dienedioate", + "names": [ + "2-Hydroxyhepta-2,4-diene-1,7-dioate", + "2-Hydroxyhepta-2,4-dienedioate" + ] + }, + { + "compound_id": "C05601", + "inchi": "InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)", + "name": "4-Hydroxy-2-oxo-heptanedioate", + "names": [ + "4-Hydroxy-2-ketopimelate", + "4-Hydroxy-2-oxo-heptanedioate", + "4-Hydroxy-2-oxoheptanedioic acid" + ] + }, + { + "compound_id": "C05604", + "inchi": "InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1", + "name": "2-Carboxy-2,3-dihydro-5,6-dihydroxyindole", + "names": [ + "2-Carboxy-2,3-dihydro-5,6-dihydroxyindole", + "Leucodopachrome", + "cyclo-Dopa" + ] + }, + { + "compound_id": "C05606", + "inchi": null, + "name": "Melanin", + "names": [ + "Melanin" + ] + }, + { + "compound_id": "C05607", + "inchi": "InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1", + "name": "Phenyllactate", + "names": [ + "(R)-Phenyllactate", + "Phenyllactate" + ] + }, + { + "compound_id": "C05608", + "inchi": "InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+", + "name": "4-Hydroxycinnamyl aldehyde", + "names": [ + "4-Hydroxycinnamyl aldehyde", + "p-Coumaraldehyde" + ] + }, + { + "compound_id": "C05610", + "inchi": "InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+", + "name": "Sinapoyl aldehyde", + "names": [ + "Sinapaldehyde", + "Sinapoyl aldehyde" + ] + }, + { + "compound_id": "C05613", + "inchi": "InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2", + "name": "Benzylformate", + "names": [ + "Benzylformate" + ] + }, + { + "compound_id": "C05615", + "inchi": null, + "name": "Lignin", + "names": [ + "Lignin" + ] + }, + { + "compound_id": "C05616", + "inchi": "InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)", + "name": "3-O-Methylgallate", + "names": [ + "3-O-Methylgallate", + "3-O-Methylgallic acid" + ] + }, + { + "compound_id": "C05618", + "inchi": "InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H", + "name": "3-Chlorocatechol", + "names": [ + "3-Chlorocatechol" + ] + }, + { + "compound_id": "C05619", + "inchi": "InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+", + "name": "5-Hydroxyferulate", + "names": [ + "5-Hydroxyferulate" + ] + }, + { + "compound_id": "C05620", + "inchi": "InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10,12-13H,1,7H2,(H,14,15)/t10-/m1/s1", + "name": "N-Acetyl-D-phenylalanine", + "names": [ + "N-Acetyl-D-phenylalanine" + ] + }, + { + "compound_id": "C05622", + "inchi": "InChI=1S/C29H30O17/c30-10-29(40)11-42-28(26(29)39)46-25-24(38)23(37)19(9-41-21(36)8-20(34)35)45-27(25)43-14-5-15(32)22-16(33)7-17(44-18(22)6-14)12-1-3-13(31)4-2-12/h1-7,19,23-28,30-32,37-40H,8-11H2,(H,34,35)/t19-,23-,24+,25?,26+,27-,28?,29-/m1/s1", + "name": "Malonylapiin", + "names": [ + "7-O-[beta-D-apiosyl-(1->2)-(6-malonyl-beta-D-glucoside)]", + "Malonylapiin" + ] + }, + { + "compound_id": "C05623", + "inchi": "InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1", + "name": "Quercetin 3-O-glucoside", + "names": [ + "2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one", + "Isoquercitrin", + "Isotrifoliin", + "Quercetin 3-O-glucoside" + ] + }, + { + "compound_id": "C05625", + "inchi": "InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1", + "name": "Rutin", + "names": [ + "3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one", + "Phytomelin", + "Quercetin 3-rutinoside", + "Rutin", + "Rutoside" + ] + }, + { + "compound_id": "C05627", + "inchi": "InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2", + "name": "4-Hydroxystyrene", + "names": [ + "4-Hydroxystyrene", + "4-Vinylphenol" + ] + }, + { + "compound_id": "C05629", + "inchi": "InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)", + "name": "Phenylpropanoate", + "names": [ + "3-Phenyl-propionic acid", + "3-Phenylpropanoic acid", + "3-phenylpropionic acid", + "Phenylpropanoate" + ] + }, + { + "compound_id": "C05631", + "inchi": "InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1", + "name": "Eriodictyol", + "names": [ + "Eriodictyol" + ] + }, + { + "compound_id": "C05634", + "inchi": "InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2", + "name": "5-Hydroxyindoleacetaldehyde", + "names": [ + "5-Hydroxyindoleacetaldehyde" + ] + }, + { + "compound_id": "C05635", + "inchi": "InChI=1S/C10H9NO3/c12-8-1-2-9-6(4-8)3-7(11-9)5-10(13)14/h1-4,11-12H,5H2,(H,13,14)", + "name": "5-Hydroxyindoleacetate", + "names": [ + "5-Hydroxyindoleacetate" + ] + }, + { + "compound_id": "C05636", + "inchi": "InChI=1S/C9H12N2O2/c10-5-4-7(12)6-2-1-3-8(13)9(6)11/h1-3,13H,4-5,10-11H2", + "name": "3-Hydroxykynurenamine", + "names": [ + "3-Hydroxykynurenamine" + ] + }, + { + "compound_id": "C05637", + "inchi": "InChI=1S/C9H7NO2/c11-7-4-5-10-9-6(7)2-1-3-8(9)12/h1-5,12H,(H,10,11)", + "name": "4,8-Dihydroxyquinoline", + "names": [ + "4,8-Dihydroxyquinoline", + "Quinoline-4,8-diol" + ] + }, + { + "compound_id": "C05638", + "inchi": "InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2", + "name": "5-Hydroxykynurenamine", + "names": [ + "5-Hydroxykynurenamine" + ] + }, + { + "compound_id": "C05639", + "inchi": "InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12)", + "name": "4,6-Dihydroxyquinoline", + "names": [ + "4,6-Dihydroxyquinoline", + "Quinoline-4,6-diol" + ] + }, + { + "compound_id": "C05640", + "inchi": "InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)", + "name": "Cinnavalininate", + "names": [ + "Cinnabarinic acid", + "Cinnavalininate" + ] + }, + { + "compound_id": "C05641", + "inchi": "InChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)/b2-1-", + "name": "5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate", + "names": [ + "5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate", + "5-(3-Carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylate" + ] + }, + { + "compound_id": "C05642", + "inchi": "InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)", + "name": "Formyl-N-acetyl-5-methoxykynurenamine", + "names": [ + "Formyl-N-acetyl-5-methoxykynurenamine" + ] + }, + { + "compound_id": "C05643", + "inchi": "InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)", + "name": "6-Hydroxymelatonin", + "names": [ + "6-Hydroxymelatonin" + ] + }, + { + "compound_id": "C05644", + "inchi": "InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)", + "name": "3-Methylindolepyruvate", + "names": [ + "3-Methylindolepyruvate" + ] + }, + { + "compound_id": "C05645", + "inchi": "InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16)", + "name": "4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate", + "names": [ + "4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate" + ] + }, + { + "compound_id": "C05646", + "inchi": "InChI=1S/C11H9NO4/c13-7-1-2-9-8(4-7)6(5-12-9)3-10(14)11(15)16/h1-2,4-5,12-13H,3H2,(H,15,16)", + "name": "5-Hydroxyindolepyruvate", + "names": [ + "5-Hydroxyindolepyruvate" + ] + }, + { + "compound_id": "C05647", + "inchi": "InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)", + "name": "Formyl-5-hydroxykynurenamine", + "names": [ + "Formyl-5-hydroxykynurenamine" + ] + }, + { + "compound_id": "C05648", + "inchi": "InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)/t8-/m0/s1", + "name": "5-Hydroxy-N-formylkynurenine", + "names": [ + "5-Hydroxy-N-formyl-L-kynurenine", + "5-Hydroxy-N-formylkynurenine" + ] + }, + { + "compound_id": "C05649", + "inchi": "InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2", + "name": "Dihydropteridine", + "names": [ + "6,7-Dihydropteridine", + "Dihydropteridine" + ] + }, + { + "compound_id": "C05650", + "inchi": "InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)", + "name": "Tetrahydropteridine", + "names": [ + "5,6,7,8-Tetrahydropteridine", + "Tetrahydropteridine" + ] + }, + { + "compound_id": "C05651", + "inchi": "InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)/t8-/m0/s1", + "name": "5-Hydroxykynurenine", + "names": [ + "5-Hydroxy-L-kynurenine", + "5-Hydroxykynurenine" + ] + }, + { + "compound_id": "C05652", + "inchi": "InChI=1S/C10H9NO5/c11-7-2-1-5(12)3-6(7)8(13)4-9(14)10(15)16/h1-3,12H,4,11H2,(H,15,16)", + "name": "4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate", + "names": [ + "4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate" + ] + }, + { + "compound_id": "C05653", + "inchi": "InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)", + "name": "Formylanthranilate", + "names": [ + "2-(Formylamino)-benzoic acid", + "Formylanthranilate", + "N-Formylanthranilate" + ] + }, + { + "compound_id": "C05654", + "inchi": "InChI=1S/C9H9NO5/c11-3-1-2-5-7(12)4-6(9(14)15)10-8(5)13/h3-4H,1-2H2,(H,14,15)(H2,10,12,13)", + "name": "5-(2'-Formylethyl)-4,6-dihydroxypicolinate", + "names": [ + "5-(2'-Formylethyl)-4,6-dihydroxypicolinate", + "5-(beta-Formylethyl)-4,6-dihydroxypicolinate" + ] + }, + { + "compound_id": "C05655", + "inchi": "InChI=1S/C9H9NO6/c11-6-3-5(9(15)16)10-8(14)4(6)1-2-7(12)13/h3H,1-2H2,(H,12,13)(H,15,16)(H2,10,11,14)", + "name": "5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate", + "names": [ + "5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate", + "5-(beta-Carboxyethyl)-4,6-dihydroxypicolinate" + ] + }, + { + "compound_id": "C05656", + "inchi": "InChI=1S/C10H9NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h3H,1-2H2,(H,15,16)(H,17,18)(H2,11,13,14)", + "name": "5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate", + "names": [ + "5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate", + "5-(gamma-Carboxy-gamma-oxopropyl)-4,6-dihydroxypicolinate" + ] + }, + { + "compound_id": "C05657", + "inchi": "InChI=1S/C11H11NO4/c13-7-1-2-8-6(3-10(14)11(15)16)5-12-9(8)4-7/h1-2,4-5,10,12-14H,3H2,(H,15,16)", + "name": "6-Hydroxyindolelactate", + "names": [ + "6-Hydroxyindolelactate" + ] + }, + { + "compound_id": "C05658", + "inchi": "InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H", + "name": "Indoxyl", + "names": [ + "1H-Indol-3-ol", + "Indoxyl" + ] + }, + { + "compound_id": "C05659", + "inchi": "InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3", + "name": "5-Methoxytryptamine", + "names": [ + "5-MeOT", + "5-Methoxytryptamine" + ] + }, + { + "compound_id": "C05660", + "inchi": "InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)", + "name": "5-Methoxyindoleacetate", + "names": [ + "5-Methoxyindoleacetate", + "5-Methoxyindoleacetic acid" + ] + }, + { + "compound_id": "C05662", + "inchi": "InChI=1S/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)/t3-,5+/m0/s1", + "name": "Homoisocitrate", + "names": [ + "(-)-1-Hydroxy-1,2,4-butanetricarboxylate", + "(1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylate", + "3-Carboxy-2-hydroxyadipate", + "Homoisocitrate" + ] + }, + { + "compound_id": "C05663", + "inchi": "InChI=1S/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)", + "name": "6-Hydroxykynurenate", + "names": [ + "4,6-Dihydroxyquinaldic acid", + "6-Hydroxykynurenate", + "6-Hydroxykynurenic acid" + ] + }, + { + "compound_id": "C05665", + "inchi": "InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2", + "name": "3-Aminopropanal", + "names": [ + "3-Aminopropanal", + "3-aminopropionaldehyde", + "beta-Aminopropion aldehyde" + ] + }, + { + "compound_id": "C05668", + "inchi": "InChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1", + "name": "3-Hydroxypropionyl-CoA", + "names": [ + "3-Hydroxypropanoyl coenzymeA", + "3-Hydroxypropanoyl-CoA", + "3-Hydroxypropionyl coenzyme A", + "3-Hydroxypropionyl-CoA", + "beta-Hydroxypropionyl-CoA" + ] + }, + { + "compound_id": "C05669", + "inchi": "InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)", + "name": "beta-Nitropropanoate", + "names": [ + "3-Nitropropanoate", + "3-Nitropropionic acid", + "beta-Nitropropanoate", + "beta-Nitropropanoic acid", + "beta-Nitropropionic acid" + ] + }, + { + "compound_id": "C05670", + "inchi": "InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2", + "name": "3-Aminopropiononitrile", + "names": [ + "3-Aminopropiononitrile", + "beta-Aminopropionitrile" + ] + }, + { + "compound_id": "C05672", + "inchi": "InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)", + "name": "2-Amino-3-phosphonopropanoate", + "names": [ + "2-Amino-3-phosphonopropanoate", + "Phosphonoalanine" + ] + }, + { + "compound_id": "C05673", + "inchi": "InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1", + "name": "CMP-2-aminoethylphosphonate", + "names": [ + "CMP-2-aminoethylphosphonate", + "CMPciliatine" + ] + }, + { + "compound_id": "C05674", + "inchi": "InChI=1/C14H26N4O10P2/c1-18(2,3)6-7-29(22,23)28-30(24,25)26-8-9-11(19)12(20)13(27-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p+1/t9-,11-,12-,13-/m1/s1/fC14H27N4O10P2/h22,24H,15H2/q+1", + "name": "CMP-N-trimethyl-2-aminoethylphosphonate", + "names": [ + "CMP-N-trimethyl-2-aminoethylphosphonate" + ] + }, + { + "compound_id": "C05675", + "inchi": null, + "name": "Diacylglyceryl-2-aminoethylphosphonate", + "names": [ + "Diacylglyceryl-2-aminoethylphosphonate" + ] + }, + { + "compound_id": "C05676", + "inchi": null, + "name": "Diacylglyceryl-N-trimethyl-2-aminoethylphosphonate", + "names": [ + "Diacylglyceryl-2-trimethylaminoethylphosphonate", + "Diacylglyceryl-N-trimethyl-2-aminoethylphosphonate" + ] + }, + { + "compound_id": "C05677", + "inchi": null, + "name": "Lipophosphonoglycan", + "names": [ + "Lipophosphonoglycan" + ] + }, + { + "compound_id": "C05678", + "inchi": "InChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)", + "name": "1-Hydroxy-2-aminoethylphosphonate", + "names": [ + "1-Hydroxy-2-aminoethylphosphonate" + ] + }, + { + "compound_id": "C05679", + "inchi": "InChI=1S/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)", + "name": "N-Monomethyl-2-aminoethylphosphonate", + "names": [ + "2-Methylaminoethylphosphonate", + "N-Monomethyl-2-aminoethylphosphonate" + ] + }, + { + "compound_id": "C05680", + "inchi": "InChI=1S/C4H12NO3P/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)", + "name": "N-Dimethyl-2-aminoethylphosphonate", + "names": [ + "2-Dimethylaminoethylphosphonate", + "N-Dimethyl-2-aminoethylphosphonate" + ] + }, + { + "compound_id": "C05681", + "inchi": null, + "name": "Ceramide 2-aminoethylphosphonate", + "names": [ + "Ceramide 2-aminoethylphosphonate", + "Ceramide ciliatine" + ] + }, + { + "compound_id": "C05682", + "inchi": "InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)", + "name": "Phosphonoacetate", + "names": [ + "Fosfonet", + "Phosphonoacetate", + "Phosphonoacetic acid" + ] + }, + { + "compound_id": "C05683", + "inchi": "InChI=1S/C26H46NO7P/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H2,32,33,34)/t15-,16+,17-,18-,19+,20+,21?,22+,24+,25+,26-/m1/s1", + "name": "2-Aminoethylphosphocholate", + "names": [ + "2-Aminoethylphosphocholate" + ] + }, + { + "compound_id": "C05684", + "inchi": "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2", + "name": "Selenite", + "names": [ + "Selenite" + ] + }, + { + "compound_id": "C05686", + "inchi": "InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1", + "name": "Adenylylselenate", + "names": [ + "Adenosine-5'-phosphoselenate", + "Adenylylselenate" + ] + }, + { + "compound_id": "C05688", + "inchi": "InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1", + "name": "L-Selenocysteine", + "names": [ + "L-Selenocysteine" + ] + }, + { + "compound_id": "C05689", + "inchi": "InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1", + "name": "Se-Methyl-L-selenocysteine", + "names": [ + "Se-Methyl-L-selenocysteine" + ] + }, + { + "compound_id": "C05690", + "inchi": "InChI=1S/C6H13NO2Se/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1", + "name": "Se-Methylselenomethionine", + "names": [ + "Se-Methylselenomethionine" + ] + }, + { + "compound_id": "C05691", + "inchi": "InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27-/m0/s1", + "name": "Se-Adenosylselenomethionine", + "names": [ + "Se-Adenosylselenomethionine" + ] + }, + { + "compound_id": "C05692", + "inchi": "InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10?,13-/m0/s1", + "name": "Se-Adenosyl-L-selenohomocysteine", + "names": [ + "Se-Adenosyl-L-selenohomocysteine", + "Se-Adenosylselenohomocysteine" + ] + }, + { + "compound_id": "C05693", + "inchi": null, + "name": "R", + "names": [ + "Methyl group acceptor", + "R" + ] + }, + { + "compound_id": "C05694", + "inchi": null, + "name": "CH3-R", + "names": [ + "CH3-R", + "Methyl-acceptor" + ] + }, + { + "compound_id": "C05695", + "inchi": "InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6?/m0/s1", + "name": "gamma-Glutamyl-Se-methylselenocysteine", + "names": [ + "5-L-Glutamyl-Se-methylselenocysteine", + "gamma-Glutamyl-Se-methylselenocysteine" + ] + }, + { + "compound_id": "C05696", + "inchi": "InChI=1S/C10H15N5O13P2Se/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1", + "name": "3'-Phosphoadenylylselenate", + "names": [ + "3'-Phosphoadenosine-5'-phosphoselenate", + "3'-Phosphoadenylylselenate" + ] + }, + { + "compound_id": "C05697", + "inchi": "InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)", + "name": "Selenate", + "names": [ + "Selenate", + "Selenic acid" + ] + }, + { + "compound_id": "C05698", + "inchi": "InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1", + "name": "Selenohomocysteine", + "names": [ + "Selenohomocysteine" + ] + }, + { + "compound_id": "C05699", + "inchi": "InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", + "name": "L-Selenocystathionine", + "names": [ + "L-Selenocystathionine" + ] + }, + { + "compound_id": "C05702", + "inchi": "InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)", + "name": "O-Phosphorylhomoserine", + "names": [ + "O-Phosphorylhomoserine" + ] + }, + { + "compound_id": "C05703", + "inchi": "InChI=1S/CH4Se/c1-2/h2H,1H3", + "name": "Methaneselenol", + "names": [ + "Methaneselenol", + "Methylselenol" + ] + }, + { + "compound_id": "C05704", + "inchi": "InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1", + "name": "Selenocystine", + "names": [ + "Selenocystine" + ] + }, + { + "compound_id": "C05705", + "inchi": "InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1", + "name": "Selenocysteine seleninic acid", + "names": [ + "3-Seleninoalanine", + "Selenocysteine seleninate", + "Selenocysteine seleninic acid" + ] + }, + { + "compound_id": "C05706", + "inchi": "InChI=1S/C6H11NO3Se/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11?/m0/s1", + "name": "Se-Propenylselenocysteine Se-oxide", + "names": [ + "Se-Propenylselenocysteine Se-oxide" + ] + }, + { + "compound_id": "C05707", + "inchi": "InChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1", + "name": "Selenohomocystine", + "names": [ + "Selenohomocystine" + ] + }, + { + "compound_id": "C05708", + "inchi": "InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1", + "name": "Selenomethionine Se-oxide", + "names": [ + "Selenomethionine Se-oxide" + ] + }, + { + "compound_id": "C05710", + "inchi": null, + "name": "N-Hydroxy-amino acid", + "names": [ + "N-Hydroxy-L-amino acid", + "N-Hydroxy-amino acid" + ] + }, + { + "compound_id": "C05711", + "inchi": "InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1", + "name": "gamma-Glutamyl-beta-cyanoalanine", + "names": [ + "gamma-Glutamyl-beta-cyanoalanine" + ] + }, + { + "compound_id": "C05712", + "inchi": null, + "name": "Cyanohydrin", + "names": [ + "Cyanohydrin" + ] + }, + { + "compound_id": "C05713", + "inchi": null, + "name": "Cyanoglycoside", + "names": [ + "Cyanoglucoside", + "Cyanoglycoside" + ] + }, + { + "compound_id": "C05714", + "inchi": "InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3", + "name": "alpha-Aminopropiononitrile", + "names": [ + "alpha-Aminopropiononitrile" + ] + }, + { + "compound_id": "C05715", + "inchi": "InChI=1S/C5H8N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-2,7H2,(H,8,9)", + "name": "gamma-Amino-gamma-cyanobutanoate", + "names": [ + "4-Amino-4-cyanobutanoic acid", + "gamma-Amino-gamma-cyanobutanoate" + ] + }, + { + "compound_id": "C05717", + "inchi": "InChI=1S/C5H8N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)", + "name": "alpha-Amino-gamma-cyanobutanoate", + "names": [ + "2-Amino-4-cyanobutanoic acid", + "alpha-Amino-gamma-cyanobutanoate" + ] + }, + { + "compound_id": "C05718", + "inchi": null, + "name": "2-Oxoacid oxime", + "names": [ + "2-Oxoacid oxime" + ] + }, + { + "compound_id": "C05720", + "inchi": "InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H", + "name": "Reduced 2,6-Dichlorophenolindophenol", + "names": [ + "2,6-Dichloro-4-[(4-hydroxyphenyl)amino]-phenol", + "Reduced 2,6-Dichlorophenolindophenol" + ] + }, + { + "compound_id": "C05721", + "inchi": "InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3", + "name": "Leucomethylene blue", + "names": [ + "Leucomethylene blue", + "Reduced methylene blue" + ] + }, + { + "compound_id": "C05723", + "inchi": null, + "name": "Poly-gamma-D-glutamate", + "names": [ + "Poly-gamma-D-glutamate" + ] + }, + { + "compound_id": "C05726", + "inchi": null, + "name": "S-Substituted L-cysteine", + "names": [ + "R-S-Cysteine", + "S-Substituted L-cysteine" + ] + }, + { + "compound_id": "C05727", + "inchi": null, + "name": "S-Substituted N-acetyl-L-cysteine", + "names": [ + "Mercapturic acid", + "S-Substituted N-acetyl-L-cysteine" + ] + }, + { + "compound_id": "C05729", + "inchi": null, + "name": "R-S-Cysteinylglycine", + "names": [ + "R-S-Cysteinylglycine" + ] + }, + { + "compound_id": "C05730", + "inchi": "InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1", + "name": "Glutathionylspermidine", + "names": [ + "Glutathionylspermidine", + "N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine" + ] + }, + { + "compound_id": "C05731", + "inchi": "InChI=1S/C12H20O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-7,9-11,13-17,19-20H,1-3H2/t4-,5-,6-,7-,9-,10+,11-,12+/m1/s1", + "name": "3-Ketosucrose", + "names": [ + "3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside", + "3-Ketosucrose" + ] + }, + { + "compound_id": "C05737", + "inchi": null, + "name": "Maltose 6-phosphate", + "names": [ + "Maltose 6-phosphate" + ] + }, + { + "compound_id": "C05744", + "inchi": null, + "name": "Acetoacetyl-[acp]", + "names": [ + "Acetoacetyl-[acp]", + "Acetoacetyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05745", + "inchi": null, + "name": "Butyryl-[acp]", + "names": [ + "Butyryl-[acp]", + "Butyryl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05746", + "inchi": null, + "name": "3-Oxohexanoyl-[acp]", + "names": [ + "3-Oxohexanoyl-[acp]", + "3-Oxohexanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05747", + "inchi": null, + "name": "(R)-3-Hydroxyhexanoyl-[acp]", + "names": [ + "(R)-3-Hydroxyhexanoyl-[acp]", + "(R)-3-Hydroxyhexanoyl-[acyl-carrier protein]", + "D-3-Hydroxyhexanoyl-[acp]", + "D-3-Hydroxyhexanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05748", + "inchi": null, + "name": "trans-Hex-2-enoyl-[acp]", + "names": [ + "(2E)-Hexenoyl-[acp]", + "trans-Hex-2-enoyl-[acp]", + "trans-Hex-2-enoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05749", + "inchi": null, + "name": "Hexanoyl-[acp]", + "names": [ + "Hexanoyl-[acp]", + "Hexanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05750", + "inchi": null, + "name": "3-Oxooctanoyl-[acp]", + "names": [ + "3-Oxooctanoyl-[acp]", + "3-Oxooctanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05751", + "inchi": null, + "name": "trans-Oct-2-enoyl-[acp]", + "names": [ + "(2E)-Octenoyl-[acp]", + "2-Octenoyl-[acyl-carrier protein]", + "Oct-2-enoyl-[acyl-carrier protein]", + "trans-Oct-2-enoyl-[acp]", + "trans-Oct-2-enoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05752", + "inchi": null, + "name": "Octanoyl-[acp]", + "names": [ + "Octanoyl-[acp]", + "Octanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05753", + "inchi": null, + "name": "3-Oxodecanoyl-[acp]", + "names": [ + "3-Oxodecanoyl-[acp]", + "3-Oxodecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05754", + "inchi": null, + "name": "trans-Dec-2-enoyl-[acp]", + "names": [ + "(2E)-Decenoyl-[acp]", + "trans-2-Decenoyl-[acyl-carrier protein]", + "trans-Dec-2-enoyl-[acp]", + "trans-Dec-2-enoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05755", + "inchi": null, + "name": "Decanoyl-[acp]", + "names": [ + "Decanoyl-[acp]", + "Decanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05756", + "inchi": null, + "name": "3-Oxododecanoyl-[acp]", + "names": [ + "3-Oxododecanoyl-[acp]", + "3-Oxododecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05757", + "inchi": null, + "name": "(R)-3-Hydroxydodecanoyl-[acp]", + "names": [ + "(R)-3-Hydroxydodecanoyl-[acp]", + "(R)-3-Hydroxydodecanoyl-[acyl-carrier protein]", + "D-3-Hydroxydodecanoyl-[acp]", + "D-3-Hydroxydodecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05758", + "inchi": null, + "name": "trans-Dodec-2-enoyl-[acp]", + "names": [ + "(2E)-Dodecenoyl-[acp]", + "trans-Dodec-2-enoyl-[acp]", + "trans-Dodec-2-enoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05759", + "inchi": null, + "name": "3-Oxotetradecanoyl-[acp]", + "names": [ + "3-Oxotetradecanoyl-[acp]", + "3-Oxotetradecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05760", + "inchi": null, + "name": "trans-Tetradec-2-enoyl-[acp]", + "names": [ + "(2E)-Tetradecenoyl-[acp]", + "trans-Tetradec-2-enoyl-[acp]", + "trans-Tetradec-2-enoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05761", + "inchi": null, + "name": "Tetradecanoyl-[acp]", + "names": [ + "Myristoyl-[acyl-carrier protein]", + "Tetradecanoyl-[acp]", + "Tetradecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05762", + "inchi": null, + "name": "3-Oxohexadecanoyl-[acp]", + "names": [ + "3-Oxohexadecanoyl-[acp]", + "3-Oxohexadecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05763", + "inchi": null, + "name": "trans-Hexadec-2-enoyl-[acp]", + "names": [ + "(2E)-Hexadecenoyl-[acp]", + "trans-Hexadec-2-enoyl-[acp]", + "trans-Hexadec-2-enoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05764", + "inchi": null, + "name": "Hexadecanoyl-[acp]", + "names": [ + "Hexadecanoyl-[acp]", + "Hexadecanoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C05765", + "inchi": "InChI=1S/C5H10NO7P/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H,7,8)(H2,10,11,12)/t3-/m0/s1", + "name": "L-Glutamyl 1-phosphate", + "names": [ + "L-Glutamyl 1-phosphate", + "alpha-L-Glutamyl phosphate" + ] + }, + { + "compound_id": "C05766", + "inchi": "InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)", + "name": "Uroporphyrinogen I", + "names": [ + "Uroporphyrinogen I" + ] + }, + { + "compound_id": "C05767", + "inchi": "InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-", + "name": "Uroporphyrin I", + "names": [ + "Uroporphyrin I" + ] + }, + { + "compound_id": "C05768", + "inchi": "InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)", + "name": "Coproporphyrinogen I", + "names": [ + "Coproporphyrinogen I" + ] + }, + { + "compound_id": "C05769", + "inchi": "InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-", + "name": "Coproporphyrin I", + "names": [ + "Coproporphyrin I" + ] + }, + { + "compound_id": "C05770", + "inchi": "InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-", + "name": "Coproporphyrin III", + "names": [ + "Coproporphyrin III" + ] + }, + { + "compound_id": "C05771", + "inchi": "InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3", + "name": "1-Aminopropan-2-ol", + "names": [ + "1-Amino-2-propanol", + "1-Aminopropan-2-ol" + ] + }, + { + "compound_id": "C05772", + "inchi": "InChI=1S/C43H50N4O16/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30/h15-16,24-25,44,46-47H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b29-15-,30-16-,41-19-/t24-,25-,42+,43+/m1/s1", + "name": "Precorrin 3A", + "names": [ + "Precorrin 3A" + ] + }, + { + "compound_id": "C05773", + "inchi": "InChI=1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1", + "name": "Cobyrinate", + "names": [ + "Cob(II)yrinate", + "Cob(II)yrinic acid", + "Cobyrinate", + "Cobyrinic acid" + ] + }, + { + "compound_id": "C05774", + "inchi": "InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+1/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;/m1./s1", + "name": "Cobinamide", + "names": [ + "Cob(I)inamide", + "Cobinamide" + ] + }, + { + "compound_id": "C05775", + "inchi": "InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13-,14+/m1/s1", + "name": "alpha-Ribazole", + "names": [ + "N1-(alpha-D-Ribosyl)-5,6-dimethylbenzimidazole", + "alpha-Ribazole" + ] + }, + { + "compound_id": "C05776", + "inchi": null, + "name": "Vitamin B12", + "names": [ + "Cob(III)alamin", + "Cobalamin (III)", + "Vitamin B12" + ] + }, + { + "compound_id": "C05777", + "inchi": "InChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/p-1/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-;/m0./s1", + "name": "Coenzyme F430", + "names": [ + "Coenzyme F430", + "Factor F430" + ] + }, + { + "compound_id": "C05778", + "inchi": "InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13-,29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1", + "name": "Sirohydrochlorin", + "names": [ + "Sirohydrochlorin" + ] + }, + { + "compound_id": "C05779", + "inchi": null, + "name": "Apoferritin", + "names": [ + "Apoferritin" + ] + }, + { + "compound_id": "C05780", + "inchi": null, + "name": "Apotransferrin", + "names": [ + "Apotransferrin" + ] + }, + { + "compound_id": "C05781", + "inchi": null, + "name": "Oxyhemoglobin", + "names": [ + "Oxyhemoglobin" + ] + }, + { + "compound_id": "C05782", + "inchi": null, + "name": "Myoglobin", + "names": [ + "Myoglobin" + ] + }, + { + "compound_id": "C05783", + "inchi": null, + "name": "Cytochrome a", + "names": [ + "Cytochrome a" + ] + }, + { + "compound_id": "C05784", + "inchi": null, + "name": "Catalase", + "names": [ + "Catalase" + ] + }, + { + "compound_id": "C05785", + "inchi": null, + "name": "Peroxidase", + "names": [ + "Peroxidase" + ] + }, + { + "compound_id": "C05786", + "inchi": "InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,35H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1", + "name": "(3Z)-Phycocyanobilin", + "names": [ + "(3Z)-Phycocyanobilin" + ] + }, + { + "compound_id": "C05787", + "inchi": "InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/b26-13-,27-14-/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1", + "name": "Bilirubin beta-diglucuronide", + "names": [ + "Bilirubin beta-diglucuronide", + "Bilirubin-bisglucuronoside" + ] + }, + { + "compound_id": "C05789", + "inchi": "InChI=1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)", + "name": "L-Urobilinogen", + "names": [ + "L-Stercobilinogen", + "L-Urobilinogen", + "Stercobilinogen" + ] + }, + { + "compound_id": "C05790", + "inchi": "InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)", + "name": "I-Urobilinogen", + "names": [ + "I-Urobilinogen", + "Mesobilirubinogen", + "Urobilinogen" + ] + }, + { + "compound_id": "C05791", + "inchi": "InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)", + "name": "D-Urobilinogen", + "names": [ + "D-Urobilinogen" + ] + }, + { + "compound_id": "C05793", + "inchi": "InChI=1S/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15+", + "name": "L-Urobilin", + "names": [ + "L-Stercobilin", + "L-Urobilin", + "Stercobilin" + ] + }, + { + "compound_id": "C05794", + "inchi": "InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15+", + "name": "Urobilin", + "names": [ + "I-Urobilin", + "Urobilin" + ] + }, + { + "compound_id": "C05795", + "inchi": "InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,15,26-27,35H,2,7,9-14H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15+", + "name": "D-Urobilin", + "names": [ + "D-Urobilin" + ] + }, + { + "compound_id": "C05796", + "inchi": null, + "name": "Galactan", + "names": [ + "Galactan" + ] + }, + { + "compound_id": "C05797", + "inchi": "InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1", + "name": "Pheophytin a", + "names": [ + "Pheophytin a" + ] + }, + { + "compound_id": "C05798", + "inchi": "InChI=1/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1", + "name": "Bacteriopheophytin", + "names": [ + "Bacteriopheophytin" + ] + }, + { + "compound_id": "C05799", + "inchi": null, + "name": "Bacterio-chlorophylls", + "names": [ + "Bacterio-chlorophylls" + ] + }, + { + "compound_id": "C05800", + "inchi": "InChI=1S/C36H54O/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)27-28-35-25-8-9-26-36(35)37/h8-9,15,17,19,21,23,25-27,37H,10-14,16,18,20,22,24,28H2,1-7H3/b30-17+,31-19+,32-21+,33-23+,34-27+", + "name": "2-Hexaprenylphenol", + "names": [ + "2-Hexaprenylphenol" + ] + }, + { + "compound_id": "C05801", + "inchi": "InChI=1/C36H54O2/c1-28(2)14-8-15-29(3)16-9-17-30(4)18-10-19-31(5)20-11-21-32(6)22-12-23-33(7)26-27-34-24-13-25-35(37)36(34)38/h13-14,16,18,20,22,24-26,37-38H,8-12,15,17,19,21,23,27H2,1-7H3/b29-16+,30-18+,31-20+,32-22+,33-26+", + "name": "2-Hexaprenyl-6-hydroxyphenol", + "names": [ + "2-Hexaprenyl-6-hydroxyphenol" + ] + }, + { + "compound_id": "C05802", + "inchi": "InChI=1S/C37H56O2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)27-28-35-25-14-26-36(39-8)37(35)38/h14-15,17,19,21,23,25-27,38H,9-13,16,18,20,22,24,28H2,1-8H3/b30-17+,31-19+,32-21+,33-23+,34-27+", + "name": "2-Hexaprenyl-6-methoxyphenol", + "names": [ + "2-Hexaprenyl-6-methoxyphenol" + ] + }, + { + "compound_id": "C05803", + "inchi": "InChI=1S/C37H54O3/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38)27-36(40-8)37(34)39/h14,16,18,20,22,24,26-27H,9-13,15,17,19,21,23,25H2,1-8H3/b29-16+,30-18+,31-20+,32-22+,33-24+", + "name": "2-Hexaprenyl-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Hexaprenyl-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C05804", + "inchi": "InChI=1S/C38H56O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+", + "name": "2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C05805", + "inchi": "InChI=1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+", + "name": "2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C05807", + "inchi": "InChI=1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-11,17H,6,8,12H2,1-3H3/b14-11+", + "name": "2-Polyprenylphenol", + "names": [ + "2-Polyprenylphenol" + ] + }, + { + "compound_id": "C05808", + "inchi": "InChI=1S/C16H22O2/c1-12(2)5-4-6-13(3)7-8-14-9-10-15(17)11-16(14)18/h5,7,9-11,17-18H,4,6,8H2,1-3H3/b13-7+", + "name": "5-Hydroxy-2-polyprenylphenol", + "names": [ + "5-Hydroxy-2-polyprenylphenol" + ] + }, + { + "compound_id": "C05809", + "inchi": "InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+", + "name": "3-Octaprenyl-4-hydroxybenzoate", + "names": [ + "3-Octaprenyl-4-hydroxybenzoate", + "4-Hydroxy-3-octaprenylbenzoate" + ] + }, + { + "compound_id": "C05810", + "inchi": "InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+", + "name": "2-Octaprenylphenol", + "names": [ + "2-Octaprenylphenol" + ] + }, + { + "compound_id": "C05811", + "inchi": "InChI=1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+", + "name": "2-Octaprenyl-6-hydroxyphenol", + "names": [ + "2-Octaprenyl-6-hydroxyphenol", + "3-Octaprenylcatechol" + ] + }, + { + "compound_id": "C05812", + "inchi": "InChI=1S/C47H72O2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)35-36-45-33-18-34-46(49-10)47(45)48/h18-19,21,23,25,27,29,31,33-35,48H,11-17,20,22,24,26,28,30,32,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+", + "name": "2-Octaprenyl-6-methoxyphenol", + "names": [ + "2-Octaprenyl-6-methoxyphenol" + ] + }, + { + "compound_id": "C05813", + "inchi": "InChI=1S/C47H70O3/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48)35-46(50-10)47(44)49/h18,20,22,24,26,28,30,32,34-35H,11-17,19,21,23,25,27,29,31,33H2,1-10H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+", + "name": "2-Octaprenyl-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Octaprenyl-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C05814", + "inchi": "InChI=1S/C48H72O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+", + "name": "2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C05815", + "inchi": "InChI=1S/C48H72O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31,33,51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+", + "name": "2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C05817", + "inchi": "InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1", + "name": "(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate", + "names": [ + "(1R,6R)-2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate", + "(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate", + "SHCHC" + ] + }, + { + "compound_id": "C05818", + "inchi": "InChI=1S/C20H22O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+", + "name": "2-Demethylmenaquinone", + "names": [ + "2-Demethylmenaquinone" + ] + }, + { + "compound_id": "C05819", + "inchi": "InChI=1S/C21H26O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12,22-23H,7,9,13H2,1-4H3/b15-12+", + "name": "Menaquinol", + "names": [ + "Menaquinol", + "Reduced menaquinone", + "Reduced vitamin K2", + "Vitamin K2 hydroquinone" + ] + }, + { + "compound_id": "C05820", + "inchi": "InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6-,8-,9-,12-/m1/s1", + "name": "(L-Seryl)adenylate", + "names": [ + "(L-Seryl)adenylate", + "L-Seryl-adenylate" + ] + }, + { + "compound_id": "C05821", + "inchi": "InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1", + "name": "Enterochelin", + "names": [ + "Enterobactin", + "Enterochelin", + "Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester", + "Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester" + ] + }, + { + "compound_id": "C05822", + "inchi": "InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1", + "name": "3'-CMP", + "names": [ + "3'-CMP", + "Cytidine 3'-phosphate" + ] + }, + { + "compound_id": "C05823", + "inchi": "InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)/t2-/m0/s1", + "name": "3-Mercaptolactate", + "names": [ + "(R)-3-Mercaptolactate", + "3-Mercaptolactate", + "L-3-Mercaptolactate" + ] + }, + { + "compound_id": "C05824", + "inchi": "InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", + "name": "S-Sulfo-L-cysteine", + "names": [ + "S-Sulfo-L-cysteine" + ] + }, + { + "compound_id": "C05825", + "inchi": "InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)", + "name": "2-Amino-5-oxohexanoate", + "names": [ + "2-Amino-5-oxohexanoate" + ] + }, + { + "compound_id": "C05827", + "inchi": "InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3", + "name": "Methylimidazole acetaldehyde", + "names": [ + "1-Methylimidazole-4-acetaldehyde", + "Methylimidazole acetaldehyde", + "Methylimidazoleacetaldehyde" + ] + }, + { + "compound_id": "C05828", + "inchi": "InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)", + "name": "Methylimidazoleacetic acid", + "names": [ + "1-Methyl-4-imidazoleacetic acid", + "1-Methylimidazole-4-acetate", + "Methylimidazoleacetate", + "Methylimidazoleacetic acid", + "Tele-methylimidazoleacetic acid" + ] + }, + { + "compound_id": "C05829", + "inchi": "InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1", + "name": "N-Carbamyl-L-glutamate", + "names": [ + "N-Carbamyl-L-glutamate" + ] + }, + { + "compound_id": "C05830", + "inchi": "InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)", + "name": "8-Methoxykynurenate", + "names": [ + "8-Methoxykynurenate", + "Xanthurenic acid 8-methyl ether" + ] + }, + { + "compound_id": "C05831", + "inchi": "InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)", + "name": "3-Methoxyanthranilate", + "names": [ + "3-Methoxyanthranilate", + "3-Methoxyanthranilic acid" + ] + }, + { + "compound_id": "C05832", + "inchi": "InChI=1/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)/f/h14,17H", + "name": "5-Hydroxyindoleacetylglycine", + "names": [ + "5-Hydroxyindoleacetylglycine" + ] + }, + { + "compound_id": "C05834", + "inchi": "InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)", + "name": "3-Methyldioxyindole", + "names": [ + "3-Hydroxy-3-methyloxindole", + "3-Methyldioxyindole" + ] + }, + { + "compound_id": "C05835", + "inchi": "InChI=1S/C10H9NO4/c12-6-11-8-4-2-1-3-7(8)9(13)5-10(14)15/h1-4,6H,5H2,(H,11,12)(H,14,15)", + "name": "2-Formaminobenzoylacetate", + "names": [ + "2-Formaminobenzoylacetate" + ] + }, + { + "compound_id": "C05837", + "inchi": "InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/t11-,13-,14+,15-,16+/m1/s1", + "name": "Glucobrassicin", + "names": [ + "Glucobrassicin", + "Indolylmethyl glucosinolate" + ] + }, + { + "compound_id": "C05838", + "inchi": "InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5-", + "name": "cis-2-Hydroxycinnamate", + "names": [ + "2-Coumarinate", + "cis-2-Hydroxycinnamate" + ] + }, + { + "compound_id": "C05839", + "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1", + "name": "cis-beta-D-Glucosyl-2-hydroxycinnamate", + "names": [ + "beta-D-Glucosyl-2-coumarinate", + "cis-beta-D-Glucosyl-2-hydroxycinnamate" + ] + }, + { + "compound_id": "C05840", + "inchi": "InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)", + "name": "Iminoaspartate", + "names": [ + "Iminoaspartate", + "Iminoaspartic acid", + "Iminosuccinate" + ] + }, + { + "compound_id": "C05841", + "inchi": "InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9-,10-/m1/s1", + "name": "Nicotinate D-ribonucleoside", + "names": [ + "Nicotinate D-ribonucleoside" + ] + }, + { + "compound_id": "C05842", + "inchi": "InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)", + "name": "N1-Methyl-2-pyridone-5-carboxamide", + "names": [ + "1-Methyl-5-carboxylamide-2-pyridone", + "N'-Methyl-2-pyridone-5-carboxamide", + "N1-Methyl-2-pyridone-5-carboxamide" + ] + }, + { + "compound_id": "C05843", + "inchi": "InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)", + "name": "N1-Methyl-4-pyridone-5-carboxamide", + "names": [ + "1-Methyl-4-pyridone-3-carboximide", + "N'-Methyl-4-pyridone-5-carboxamide", + "N1-Methyl-4-pyridone-5-carboxamide" + ] + }, + { + "compound_id": "C05844", + "inchi": "InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1", + "name": "5-L-Glutamyl-taurine", + "names": [ + "5-Glutamyl-taurine", + "5-L-Glutamyl-taurine", + "Glutaurine" + ] + }, + { + "compound_id": "C05845", + "inchi": "InChI=1S/C54H87NO12P2/c1-38(2)15-14-16-39(3)17-18-40(4)19-20-41(5)21-22-42(6)23-24-43(7)25-26-44(8)27-28-45(9)29-30-46(10)31-32-47(11)33-34-48(12)35-36-64-68(60,61)67-69(62,63)66-54-51(55-49(13)57)53(59)52(58)50(37-56)65-54/h15,17,19,21,23,25,27,29,31,33,35,50-54,56,58-59H,14,16,18,20,22,24,26,28,30,32,34,36-37H2,1-13H3,(H,55,57)(H,60,61)(H,62,63)/b39-17+,40-19-,41-21-,42-23-,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-/t50-,51-,52+,53-,54-/m1/s1", + "name": "N-Acetyl-D-galactosaminyldiphosphoundecaprenol", + "names": [ + "N-Acetyl-D-galactosaminyldiphosphoundecaprenol" + ] + }, + { + "compound_id": "C05847", + "inchi": "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+", + "name": "all-trans-Polyprenyl diphosphate", + "names": [ + "Polyisopentenyldiphosphate", + "Polyisopentenylpyrophosphate", + "Polyprenyl diphosphate", + "all-trans-Polyprenyl diphosphate", + "trans-Polyisopentenyldiphosphate" + ] + }, + { + "compound_id": "C05848", + "inchi": "InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+", + "name": "4-Hydroxy-3-polyprenylbenzoate", + "names": [ + "4-Hydroxy-3-polyprenylbenzoate" + ] + }, + { + "compound_id": "C05849", + "inchi": "InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+", + "name": "Vitamin K1 epoxide", + "names": [ + "(2,3-Epoxyphytyl)menaquinone", + "1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-naphth[2,3-b]oxirene-2,7-dione", + "2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone", + "2,3-Epoxyphylloquinone", + "Phylloquinone epoxide", + "Phylloquinone oxide", + "Phylloquinone-2,3-epoxide", + "Vitamin K1 2,3-epoxide", + "Vitamin K1 epoxide", + "Vitamin K1 oxide" + ] + }, + { + "compound_id": "C05850", + "inchi": null, + "name": "Reduced Vitamin K", + "names": [ + "Reduced Vitamin K", + "Vitamin K hydroquinone" + ] + }, + { + "compound_id": "C05851", + "inchi": "InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H", + "name": "Coumarin", + "names": [ + "1,2-Benzopyrone", + "2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone", + "2H-1-Benzopyran-2-one", + "5,6-Benzo-2-pyrone", + "Benzo-alpha-pyrone", + "Coumarin", + "Coumarine", + "Coumarinic anhydride", + "Cumarin", + "Rattex", + "Tonka bean camphor", + "cis-o-Coumarinic acid lactone", + "o-Hydroxycinnamic acid lactone" + ] + }, + { + "compound_id": "C05852", + "inchi": "InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)", + "name": "2-Hydroxyphenylacetate", + "names": [ + "2-Hydroxyphenylacetate", + "2-Hydroxyphenylacetic acid" + ] + }, + { + "compound_id": "C05853", + "inchi": "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2", + "name": "Phenylethyl alcohol", + "names": [ + "2-Phenylethanol", + "Phenethyl alcohol", + "Phenylethyl alcohol" + ] + }, + { + "compound_id": "C05855", + "inchi": "InChI=1S/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1", + "name": "4-Hydroxycinnamyl alcohol 4-D-glucoside", + "names": [ + "4-Hydroxycinnamyl alcohol 4-D-glucoside", + "p-Coumaryl alcohol 4-O-glucoside" + ] + }, + { + "compound_id": "C05856", + "inchi": "InChI=1S/C12H15N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)/q+1", + "name": "Thiamine aldehyde", + "names": [ + "Thiamin aldehyde", + "Thiamine aldehyde" + ] + }, + { + "compound_id": "C05859", + "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-", + "name": "Dehydrodolichol diphosphate", + "names": [ + "Dehydrodolichol diphosphate", + "Dehydrodolichyl diphosphate", + "ditrans,polycis-polyprenyl diphosphate" + ] + }, + { + "compound_id": "C05860", + "inchi": "InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/b27-15+,28-17+,29-19-/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43?,44?,45?,46-,47?/m1/s1", + "name": "beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol", + "names": [ + "Man-beta1->4GlcNAc-beta1->4GlcNAc-PP-Dol", + "beta-1,4-D-Mannosylchitobiosyldiphosphodolichol", + "beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol" + ] + }, + { + "compound_id": "C05861", + "inchi": "InChI=1S/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-73-83(69,70)82-84(71,72)81-51-39(55-33(8)61)43(65)47(37(26-59)77-51)78-50-38(54-32(7)60)42(64)48(36(25-58)76-50)79-53-46(68)49(41(63)35(24-57)75-53)80-52-45(67)44(66)40(62)34(23-56)74-52/h13,15,17,19,31,34-53,56-59,62-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,60)(H,55,61)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19-/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47?,48?,49?,50?,51-,52?,53?/m1/s1", + "name": "alpha-D-Mannosyl-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", + "names": [ + "Man-alpha1->3Man-beta1->4GlcNAc-beta1->4GlcNAc-PP-Dol", + "alpha-1,3-D-Mannosyl-beta-1,4-D-mannosylchitobiosyldiphosphodolichol", + "alpha-D-Mannosyl-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" + ] + }, + { + "compound_id": "C05864", + "inchi": "InChI=1S/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/b31-15+,32-17+,33-19-/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60?,61?,62?,63?,64?,65?,66-,67+,68?,69?,70?,71?/m1/s1", + "name": "(alpha-D-Mannosyl)4-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", + "names": [ + "(alpha-D-Mannosyl)4-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" + ] + }, + { + "compound_id": "C05868", + "inchi": "InChI=1S/C95H162N2O62P2/c1-34(2)13-9-14-35(3)15-10-16-36(4)17-11-18-37(5)19-12-20-38(6)21-22-138-160(132,133)159-161(134,135)158-86-53(97-40(8)108)64(119)77(49(31-106)147-86)150-85-52(96-39(7)107)63(118)78(48(30-105)146-85)151-91-76(131)80(153-94-84(71(126)60(115)46(28-103)144-94)157-95-83(70(125)59(114)47(29-104)145-95)156-90-74(129)67(122)56(111)43(25-100)141-90)62(117)51(149-91)32-136-87-75(130)79(152-93-82(69(124)58(113)45(27-102)143-93)155-89-73(128)66(121)55(110)42(24-99)140-89)61(116)50(148-87)33-137-92-81(68(123)57(112)44(26-101)142-92)154-88-72(127)65(120)54(109)41(23-98)139-88/h13,15,17,19,38,41-95,98-106,109-131H,9-12,14,16,18,20-33H2,1-8H3,(H,96,107)(H,97,108)(H,132,133)(H,134,135)/b35-15+,36-17+,37-19-/t38?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77?,78?,79?,80?,81?,82?,83?,84?,85?,86-,87+,88?,89?,90?,91?,92+,93?,94?,95?/m1/s1", + "name": "(alpha-D-Mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", + "names": [ + "(alpha-D-Mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" + ] + }, + { + "compound_id": "C05869", + "inchi": null, + "name": "(alpha-D-Mannosyl)9-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol", + "names": [ + "(alpha-D-Mannosyl)9-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" + ] + }, + { + "compound_id": "C05892", + "inchi": "InChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/t14-,15+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine", + "UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine" + ] + }, + { + "compound_id": "C05893", + "inchi": "InChI=1S/C94H156N8O26P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(100-75(18)106)86(85(79(58-104)125-94)126-93-81(99-74(17)105)84(109)83(108)78(57-103)124-93)123-73(16)89(112)96-71(14)88(111)102-77(92(116)117)52-53-80(107)101-76(51-19-20-55-95)90(113)97-70(13)87(110)98-72(15)91(114)115/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,108-109H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,112)(H,97,113)(H,98,110)(H,99,105)(H,100,106)(H,101,107)(H,102,111)(H,114,115)(H,116,117)(H,118,119)(H,120,121)/b60-33+,61-35+,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-54-/t70-,71+,72-,73-,76+,77-,78-,79-,81-,82-,83-,84-,85?,86-,93?,94-/m1/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine", + "names": [ + "GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol", + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C05894", + "inchi": "InChI=1S/C94H157N9O25P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(101-75(18)107)86(85(79(58-105)125-94)126-93-81(100-74(17)106)84(110)83(109)78(57-104)124-93)123-73(16)90(114)97-71(14)89(113)103-76(87(96)111)52-53-80(108)102-77(51-19-20-55-95)91(115)98-70(13)88(112)99-72(15)92(116)117/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,104-105,109-110H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H2,96,111)(H,97,114)(H,98,115)(H,99,112)(H,100,106)(H,101,107)(H,102,108)(H,103,113)(H,116,117)(H,118,119)(H,120,121)/b60-33+,61-35+,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-54-/t70-,71+,72-,73-,76-,77+,78-,79-,81-,82-,83-,84-,85?,86-,93?,94-/m1/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine", + "names": [ + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C05895", + "inchi": "InChI=1S/C104H172N14O30P2/c1-64(2)31-21-32-65(3)33-22-34-66(4)35-23-36-67(5)37-24-38-68(6)39-25-40-69(7)41-26-42-70(8)43-27-44-71(9)45-28-46-72(10)47-29-48-73(11)49-30-50-74(12)54-56-142-149(138,139)148-150(140,141)147-104-92(116-80(18)122)96(95(84(63-120)145-104)146-103-91(115-79(17)121)94(130)93(129)83(62-119)144-103)143-78(16)100(134)112-76(14)99(133)118-81(97(106)131)52-53-85(123)117-82(101(135)113-75(13)98(132)114-77(15)102(136)137)51-19-20-55-107-87(125)58-109-89(127)60-111-90(128)61-110-88(126)59-108-86(124)57-105/h31,33,35,37,39,41,43,45,47,49,54,75-78,81-84,91-96,103-104,119-120,129-130H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-63,105H2,1-18H3,(H2,106,131)(H,107,125)(H,108,124)(H,109,127)(H,110,126)(H,111,128)(H,112,134)(H,113,135)(H,114,132)(H,115,121)(H,116,122)(H,117,123)(H,118,133)(H,136,137)(H,138,139)(H,140,141)/b65-33+,66-35+,67-37-,68-39-,69-41-,70-43-,71-45-,72-47-,73-49-,74-54-/t75-,76+,77-,78-,81-,82+,83-,84-,91-,92-,93-,94-,95?,96-,103?,104-/m1/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine", + "names": [ + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C05896", + "inchi": null, + "name": "Crosslinked peptideglycan", + "names": [ + "Crosslinked peptideglycan" + ] + }, + { + "compound_id": "C05897", + "inchi": "InChI=1S/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(98)75(55-95)115-87)114-70(16)82(101)89-68(14)81(100)94-74(86(107)108)51-52-76(97)93-73(50-28-49-72(88)85(105)106)83(102)90-67(13)80(99)91-69(15)84(103)104/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,98H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,101)(H,90,102)(H,91,99)(H,92,96)(H,93,97)(H,94,100)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/b57-31+,58-33+,59-35-,60-37-,61-39-,62-41-,63-43-,64-45-,65-47-,66-53-/t67-,68+,69-,70-,72-,73+,74-,75-,77-,78-,79-,87-/m1/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine", + "names": [ + "Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C05898", + "inchi": "InChI=1S/C95H156N8O28P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132(121,122)131-133(123,124)130-95-82(101-74(18)107)86(85(79(57-105)128-95)129-94-81(100-73(17)106)84(110)83(109)78(56-104)127-94)126-72(16)89(113)97-70(14)88(112)103-77(93(119)120)52-53-80(108)102-76(51-29-50-75(96)92(117)118)90(114)98-69(13)87(111)99-71(15)91(115)116/h30,32,34,36,38,40,42,44,46,48,54,69-72,75-79,81-86,94-95,104-105,109-110H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,96H2,1-18H3,(H,97,113)(H,98,114)(H,99,111)(H,100,106)(H,101,107)(H,102,108)(H,103,112)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/b59-32+,60-34+,61-36-,62-38-,63-40-,64-42-,65-44-,66-46-,67-48-,68-54-/t69-,70+,71-,72-,75-,76+,77-,78-,79-,81-,82-,83-,84-,85?,86-,94?,95-/m1/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine", + "names": [ + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C05901", + "inchi": "InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+", + "name": "3,3',4'5-Tetrahydroxystilbene", + "names": [ + "3,3',4'5-Tetrahydroxystilbene", + "Piceatannol" + ] + }, + { + "compound_id": "C05902", + "inchi": "InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3", + "name": "3-Methoxyapigenin", + "names": [ + "3-Methoxyapigenin", + "3-O-Methylkaempferol" + ] + }, + { + "compound_id": "C05903", + "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H", + "name": "Kaempferol", + "names": [ + "3,4',5,7-Tetrahydroxyflavone", + "4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol", + "C.I. 75640", + "Indigo yellow", + "Kaempferol", + "Kaempherol", + "Kempferol", + "Nimbecetin", + "Pelargidenolon", + "Populnetin", + "Rhamnolutein", + "Rhamnolutin", + "Robigenin", + "Swartziol", + "Trifolitin" + ] + }, + { + "compound_id": "C05904", + "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1", + "name": "Pelargonidin", + "names": [ + "3,4',5,7-Tetrahydroxyflavylium chloride", + "3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride", + "Pelargonidin", + "Pelargonidin chloride", + "Pelargonidol chloride" + ] + }, + { + "compound_id": "C05905", + "inchi": "InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1", + "name": "Cyanidin", + "names": [ + "2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride", + "3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride", + "3,3',4',5,7-Pentahydroxyflavylium chloride", + "3,3',4',5,7-Pentahydroxyflavyliumchlorid", + "Chlorure de 3,3',4',5,7-pentahydroxyflavylium", + "Cyanidin", + "Cyanidin chloride", + "Cyanidine", + "Cyanidol", + "Cyanidol chloride", + "IdB 1027" + ] + }, + { + "compound_id": "C05906", + "inchi": "InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15+/m0/s1", + "name": "Leucocyanidin", + "names": [ + "2,3-trans-3,4-cis-Leucocyanidin", + "2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol", + "3,3',4,4',5,7-Flavanhexol", + "3,4-Cyanidiol", + "Leucoanthocyanidol", + "Leucocianidol", + "Leucocyanidin", + "Leucocyanidol", + "Leukocyanidine", + "Procyanidol", + "Resivit" + ] + }, + { + "compound_id": "C05907", + "inchi": "InChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2/t12?,13-/m0/s1", + "name": "Luteoforol", + "names": [ + "3-Deoxyleucocyanidin", + "Luteoforol" + ] + }, + { + "compound_id": "C05908", + "inchi": "InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1", + "name": "Delphinidin", + "names": [ + "3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride", + "3,3',4',5,5',7-Hexahydroxyflavylium chloride", + "3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride", + "3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyryliumchlorid", + "Chlorure de 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium", + "Delfinidol chloride", + "Delphinidin", + "Delphinidin chloride", + "Delphinidine", + "Delphinidol", + "Ephdine", + "IdB 1056" + ] + }, + { + "compound_id": "C05909", + "inchi": "InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1", + "name": "Leucodelphinidin", + "names": [ + "Leucodelphinidin" + ] + }, + { + "compound_id": "C05911", + "inchi": "InChI=1S/C15H12O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-4,12,16-17,19-21H,5H2/t12-/m0/s1", + "name": "Pentahydroxyflavanone", + "names": [ + "Dihydrotricetin", + "Pentahydroxyflavanone" + ] + }, + { + "compound_id": "C05912", + "inchi": "InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,19,26,35H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,27-14-,28-15-/t19-,26-/m1/s1", + "name": "(3Z)-Phycoerythrobilin", + "names": [ + "(3Z)-Phycoerythrobilin" + ] + }, + { + "compound_id": "C05913", + "inchi": "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1", + "name": "(3Z)-Phytochromobilin", + "names": [ + "(3Z)-Phytochromobilin" + ] + }, + { + "compound_id": "C05914", + "inchi": null, + "name": "Bathorhodopsin", + "names": [ + "Bathorhodopsin" + ] + }, + { + "compound_id": "C05915", + "inchi": null, + "name": "Lumirhodopsin", + "names": [ + "Lumirhodopsin" + ] + }, + { + "compound_id": "C05916", + "inchi": null, + "name": "Metarhodopsin", + "names": [ + "Metarhodopsin" + ] + }, + { + "compound_id": "C05917", + "inchi": null, + "name": "Iodopsin", + "names": [ + "Iodopsin" + ] + }, + { + "compound_id": "C05918", + "inchi": "InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", + "name": "all-trans-Dehydroretinal", + "names": [ + "(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraenal", + "3,4-Didehydroretinal", + "3-Dehydroretinal", + "3-Dehydroretinaldehyde", + "Dehydroretinal", + "Dehydroretinaldehyd", + "Dehydroretinaldehyde", + "Retinene 2", + "Vitamin A2 aldehyde", + "all-trans-3,4-Dehydroretinal", + "all-trans-3-Dehydroretinal", + "all-trans-Dehydroretinal", + "alpha-Retinene", + "trans-3-Dehydroretinal" + ] + }, + { + "compound_id": "C05919", + "inchi": "InChI=1S/C20H26O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,15H,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+", + "name": "11-cis-Dehydroretinal", + "names": [ + "11-cis-Dehydroretinal" + ] + }, + { + "compound_id": "C05920", + "inchi": null, + "name": "Porphyropsin", + "names": [ + "Porphyropsin" + ] + }, + { + "compound_id": "C05921", + "inchi": "InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1", + "name": "Biotinyl-5'-AMP", + "names": [ + "Biotinyl-5'-AMP" + ] + }, + { + "compound_id": "C05922", + "inchi": "InChI=1S/C10H18N5O15P3/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H,23,24)(H,25,26)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1", + "name": "Formamidopyrimidine nucleoside triphosphate", + "names": [ + "((2r,3s,4r,5r)-5-(2-amino-5-formamido-6-oxo-3,6-dihydropyrimidin-4-ylamino)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate", + "Formamidopyrimidine nucleoside triphosphate" + ] + }, + { + "compound_id": "C05923", + "inchi": "InChI=1S/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/t2-,4-,5-,8-/m1/s1", + "name": "2,5-Diaminopyrimidine nucleoside triphosphate", + "names": [ + "2,5-Diaminopyrimidine nucleoside triphosphate" + ] + }, + { + "compound_id": "C05924", + "inchi": "InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1", + "name": "Molybdopterin", + "names": [ + "H2Dtpp-mP", + "Molybdopterin", + "Pyranopterin" + ] + }, + { + "compound_id": "C05925", + "inchi": "InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1", + "name": "Dihydroneopterin phosphate", + "names": [ + "2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate", + "Dihydroneopterin phosphate" + ] + }, + { + "compound_id": "C05926", + "inchi": "InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1", + "name": "Neopterin", + "names": [ + "6-(D-erythro-1,2,3-Trihydroxypropyl)pterin", + "6-D-erythro-Neopterin", + "D-Neopterin", + "D-erythro-Neopterin", + "Neopterin", + "[S-(R*,S*)]-2-Amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-on", + "[S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one", + "[S-(R*,S*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one" + ] + }, + { + "compound_id": "C05927", + "inchi": "InChI=1S/C30H43N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1", + "name": "7,8-Dihydromethanopterin", + "names": [ + "7,8-Dihydromethanopterin" + ] + }, + { + "compound_id": "C05928", + "inchi": "InChI=1S/C25H30N8O10/c26-25-31-20-19(22(39)32-25)28-13(9-27-20)10-33(11-34)14-3-1-12(2-4-14)21(38)30-16(24(42)43)5-7-17(35)29-15(23(40)41)6-8-18(36)37/h1-4,11,13,15-16,28H,5-10H2,(H,29,35)(H,30,38)(H,36,37)(H,40,41)(H,42,43)(H4,26,27,31,32,39)", + "name": "10-Formyltetrahydrofolyl L-glutamate", + "names": [ + "10-Formyl-THF-L-glutamate", + "10-Formyltetrahydrofolyl L-glutamate" + ] + }, + { + "compound_id": "C05929", + "inchi": "InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)33-15(11-32-24)12-39(13-40)16-3-1-14(2-4-16)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,15,17-19,33H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,32,37,38,46)", + "name": "10-Formyltetrahydrofolylpolyglutamate", + "names": [ + "10-Formyl-THF-polyglutamate", + "10-Formyltetrahydrofolylpolyglutamate" + ] + }, + { + "compound_id": "C05931", + "inchi": "InChI=1S/C9H13NO7/c11-6(2-4-8(14)15)10-5(9(16)17)1-3-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1", + "name": "N-Succinyl-L-glutamate", + "names": [ + "(2S)-2-(3-Carboxypropanoylamino)pentanedioic acid", + "N-Succinyl-L-glutamate" + ] + }, + { + "compound_id": "C05932", + "inchi": "InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1", + "name": "N-Succinyl-L-glutamate 5-semialdehyde", + "names": [ + "(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid", + "N-Succinyl-L-glutamate 5-semialdehyde" + ] + }, + { + "compound_id": "C05933", + "inchi": "InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)", + "name": "N-(omega)-Hydroxyarginine", + "names": [ + "N-(omega)-Hydroxyarginine" + ] + }, + { + "compound_id": "C05936", + "inchi": "InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)", + "name": "N4-Acetylaminobutanal", + "names": [ + "4-Acetamidobutanal", + "N4-Acetylaminobutanal" + ] + }, + { + "compound_id": "C05938", + "inchi": "InChI=1S/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h2-4,8H,1,6H2,(H,9,10)/t3-,4+/m1/s1", + "name": "L-4-Hydroxyglutamate semialdehyde", + "names": [ + "L-4-Hydroxyglutamate semialdehyde" + ] + }, + { + "compound_id": "C05939", + "inchi": "InChI=1S/C10H17N3O5/c11-6(9(15)16)3-4-8(14)12-13-5-1-2-7(13)10(17)18/h6-7H,1-5,11H2,(H,12,14)(H,15,16)(H,17,18)/t6-,7+/m0/s1", + "name": "Linatine", + "names": [ + "Linatine", + "N-(gamma-L-Glutamyl)amino-D-proline" + ] + }, + { + "compound_id": "C05941", + "inchi": "InChI=1S/C5H9NO4/c6-2-3(7)1-4(8)5(9)10/h3,7H,1-2,6H2,(H,9,10)/t3-/m1/s1", + "name": "2-Oxo-4-hydroxy-5-aminovalerate", + "names": [ + "2-Oxo-4-hydroxy-5-aminovalerate" + ] + }, + { + "compound_id": "C05942", + "inchi": "InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)", + "name": "Pyrrole-2-carboxylate", + "names": [ + "Pyrrole-2-carboxylate" + ] + }, + { + "compound_id": "C05944", + "inchi": "InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1", + "name": "Pantothenol", + "names": [ + "(+)-Panthenol", + "(R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide", + "2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide", + "Bepanthen", + "Bepanthene", + "Bepantol", + "Cozyme", + "D(+)-Panthenol", + "D(+)-Pantothenyl alcohol", + "D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide", + "D-P-A Injection", + "D-Panthenol", + "Dexpanthenol", + "Ilopan", + "Motilyn", + "N-Pantoyl-propanolamine", + "Panadon", + "Panthenol", + "Panthoderm", + "Pantol", + "Pantothenol", + "Pantothenyl alcohol", + "Provitamin B", + "Synapan", + "Thenalton", + "Zentinic", + "d-Pantothenol", + "d-Pantothenyl alcohol" + ] + }, + { + "compound_id": "C05945", + "inchi": "InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1", + "name": "L-Arginine phosphate", + "names": [ + "Arginine phosphate", + "L-Arginine phosphate", + "L-Arginine-NG-phosphoric acid", + "N(omega)-Phospho-L-arginine", + "N-Phospho-L-arginine", + "N5-[Imino(phosphonoamino)methyl]L-ornithine", + "Phosphoarginine", + "Phosphoarginine A", + "n-w-phospho-L-arginine", + "n-w-phospho-l-arginine", + "nomega-phospho-L-arginine", + "nomega-phospho-l-arginine", + "omega-N-Phosphoarginine" + ] + }, + { + "compound_id": "C05946", + "inchi": "InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1", + "name": "D-4-Hydroxy-2-oxoglutarate", + "names": [ + "D-4-Hydroxy-2-oxoglutarate" + ] + }, + { + "compound_id": "C05947", + "inchi": "InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3+/m0/s1", + "name": "L-erythro-4-Hydroxyglutamate", + "names": [ + "L-erythro-4-Hydroxyglutamate" + ] + }, + { + "compound_id": "C05949", + "inchi": "InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1", + "name": "12-Keto-leukotriene B4", + "names": [ + "12-Keto-LTB4", + "12-Keto-leukotriene B4", + "5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acid" + ] + }, + { + "compound_id": "C05950", + "inchi": "InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1", + "name": "20-COOH-Leukotriene B4", + "names": [ + "20-COOH-LTB4", + "20-COOH-Leukotriene B4", + "20-Carboxy-leukotriene B4", + "5,12-Dihydroxy-delta5,8,11,14-eicosapolyendioic acid" + ] + }, + { + "compound_id": "C05951", + "inchi": "InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1", + "name": "Leukotriene D4", + "names": [ + "LTD4", + "Leukotriene D4" + ] + }, + { + "compound_id": "C05952", + "inchi": "InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1", + "name": "Leukotriene E4", + "names": [ + "(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate", + "(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate", + "LTE4", + "Leukotriene E4" + ] + }, + { + "compound_id": "C05953", + "inchi": "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1", + "name": "Prostaglandin A2", + "names": [ + "Medullin", + "PGA2", + "Prostaglandin A2" + ] + }, + { + "compound_id": "C05954", + "inchi": "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1", + "name": "Prostaglandin B2", + "names": [ + "PGB2", + "Prostaglandin B2" + ] + }, + { + "compound_id": "C05955", + "inchi": "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-,18+/m0/s1", + "name": "Prostaglandin C2", + "names": [ + "PGC2", + "Prostaglandin C2" + ] + }, + { + "compound_id": "C05956", + "inchi": "InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", + "name": "Prostaglandin G2", + "names": [ + "PGG2", + "Prostaglandin G2" + ] + }, + { + "compound_id": "C05957", + "inchi": "InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1", + "name": "Prostaglandin J2", + "names": [ + "PGJ2", + "Prostaglandin J2" + ] + }, + { + "compound_id": "C05958", + "inchi": "InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1", + "name": "delta-12-Prostaglandin J2", + "names": [ + "delta-12-PGJ2", + "delta-12-Prostaglandin J2" + ] + }, + { + "compound_id": "C05959", + "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1", + "name": "11-epi-Prostaglandin F2alpha", + "names": [ + "11-epi-PGF2a", + "11-epi-PGF2alpha", + "11-epi-Prostaglandin F2a", + "11-epi-Prostaglandin F2alpha" + ] + }, + { + "compound_id": "C05960", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1", + "name": "15-Keto-prostaglandin F2alpha", + "names": [ + "15-Keto-PGF2a", + "15-Keto-PGF2alpha", + "15-Keto-prostaglandin F2a", + "15-Keto-prostaglandin F2alpha" + ] + }, + { + "compound_id": "C05961", + "inchi": "InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1", + "name": "6-Keto-prostaglandin F1alpha", + "names": [ + "6-Keto-PGF1a", + "6-Keto-PGF1alpha", + "6-Keto-prostaglandin F1a", + "6-Keto-prostaglandin F1alpha" + ] + }, + { + "compound_id": "C05962", + "inchi": "InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1", + "name": "6-Keto-prostaglandin E1", + "names": [ + "6-Keto-PGE1", + "6-Keto-prostaglandin E1" + ] + }, + { + "compound_id": "C05963", + "inchi": "InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20-/m0/s1", + "name": "Thromboxane B2", + "names": [ + "TXB2", + "Thromboxane B2" + ] + }, + { + "compound_id": "C05964", + "inchi": "InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1", + "name": "11-Dehydro-thromboxane B2", + "names": [ + "11-Dehydro-thromboxane B2" + ] + }, + { + "compound_id": "C05965", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1", + "name": "12(S)-HPETE", + "names": [ + "(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate", + "(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid", + "12(S)-HPETE", + "12-Hydroperoxyeicosatetraenoate", + "12-Hydroperoxyeicosatetraenoic acid", + "12-Hydroperoxyicosatetraenoate", + "12-Hydroperoxyicosatetraenoic acid" + ] + }, + { + "compound_id": "C05966", + "inchi": "InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1", + "name": "15(S)-HPETE", + "names": [ + "(5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoate", + "(5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid", + "15(S)-HPETE", + "15-Hydroperoxyeicosatetraenoate", + "15-Hydroperoxyeicosatetraenoic acid", + "15-Hydroperoxyicosatetraenoate", + "15-Hydroperoxyicosatetraenoic acid" + ] + }, + { + "compound_id": "C05973", + "inchi": null, + "name": "2-Acyl-sn-glycero-3-phosphoethanolamine", + "names": [ + "2-Acyl-sn-glycero-3-phosphoethanolamine", + "L-1-Lysophosphatidylethanolamine", + "O-(2-Acyl-sn-glycero-3-phospho)-ethanolamine" + ] + }, + { + "compound_id": "C05974", + "inchi": null, + "name": "2-Acyl-sn-glycero-3-phosphoserine", + "names": [ + "2-Acyl-sn-glycero-3-phosphoserine" + ] + }, + { + "compound_id": "C05976", + "inchi": null, + "name": "Aminoacyl-phosphatidylglycerol", + "names": [ + "Aminoacyl-phosphatidylglycerol" + ] + }, + { + "compound_id": "C05977", + "inchi": null, + "name": "2-Acyl-1-alkyl-sn-glycero-3-phosphate", + "names": [ + "2-Acyl-1-alkyl-sn-glycero-3-phosphate" + ] + }, + { + "compound_id": "C05979", + "inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3", + "name": "Propane-1-ol", + "names": [ + "1-Hydroxypropane", + "1-Propanol", + "Ethylcarbinol", + "Optal", + "Osmosol extra", + "Propan-1-ol", + "Propane-1-ol", + "Propanol", + "Propyl alcohol", + "UN 1274", + "n-Propanol", + "n-Propyl alcohol" + ] + }, + { + "compound_id": "C05980", + "inchi": null, + "name": "Cardiolipin", + "names": [ + "1',3'-Bis(1,2-diacyl-sn-glycero-3-phospho)-sn-glycerol", + "Cardiolipin", + "Diphosphatidylglycerol" + ] + }, + { + "compound_id": "C05981", + "inchi": null, + "name": "Phosphatidylinositol-3,4,5-trisphosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-bisphosphate)", + "1-Phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate", + "Phosphatidylinositol-3,4,5-trisphosphate" + ] + }, + { + "compound_id": "C05983", + "inchi": "InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1", + "name": "Propionyladenylate", + "names": [ + "Propionyl-adenosine monophosphate", + "Propionyladenylate" + ] + }, + { + "compound_id": "C05984", + "inchi": "InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1", + "name": "2-Hydroxybutanoic acid", + "names": [ + "2-Hydroxybutanoic acid", + "2-Hydroxybutyrate", + "2-Hydroxybutyric acid", + "2-hydroxybutanoate", + "d-2-hydroxy-n-butanoate" + ] + }, + { + "compound_id": "C05985", + "inchi": "InChI=1S/C3H2O/c1-2-3-4/h1,3H", + "name": "2-Propynal", + "names": [ + "2-Propyn-1-al", + "2-Propynal", + "Propiolaldehyde" + ] + }, + { + "compound_id": "C05986", + "inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2", + "name": "2-Propyn-1-ol", + "names": [ + "1-Hydroxy-2-propyne", + "1-Propyn-3-ol", + "1-Propyn-3-yl alcohol", + "2-Propyn-1-ol", + "2-Propynol", + "2-Propynyl alcohol", + "3-Hydroxy-1-propyne", + "3-Propynol", + "Ethynylcarbinol", + "NA 1986", + "Prop-2-in-1-ol", + "Prop-2-yn-1-ol", + "Prop-2-yne-1-ol", + "Propargyl alcohol", + "Propynyl alcohol" + ] + }, + { + "compound_id": "C05989", + "inchi": "InChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19?,23-/m1/s1", + "name": "3-Oxopropionyl-CoA", + "names": [ + "3-Oxopropionyl-CoA", + "Malonyl semialdehyde-CoA" + ] + }, + { + "compound_id": "C05990", + "inchi": "InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1", + "name": "Isoscoparine", + "names": [ + "C-Glucosyl-6 chrysoeriol", + "Chrysoeriol 6-C-glucoside", + "Isoscoparin", + "Isoscoparine" + ] + }, + { + "compound_id": "C05993", + "inchi": "InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1", + "name": "Acetyl adenylate", + "names": [ + "5'-Acetylphosphoadenosine", + "Acetyl adenylate" + ] + }, + { + "compound_id": "C05994", + "inchi": "InChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)/t7-/m0/s1", + "name": "2-Propylmalate", + "names": [ + "2-Propylmalate", + "2-Propylmalic acid", + "Malic acid, 2-propyl-" + ] + }, + { + "compound_id": "C05995", + "inchi": "InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1", + "name": "7-Hydroxy-6-methyl-8-ribityl lumazine", + "names": [ + "7-Hydroxy-6-methyl-8-ribityl lumazine" + ] + }, + { + "compound_id": "C05996", + "inchi": null, + "name": "Branched chain fatty acid", + "names": [ + "Branched chain fatty acid" + ] + }, + { + "compound_id": "C05997", + "inchi": "InChI=1S/C26H46N7O17P3S/c1-25(2,20(36)23(37)29-7-5-16(34)28-8-10-54-9-6-26(3,4)38)12-47-53(44,45)50-52(42,43)46-11-15-19(49-51(39,40)41)18(35)24(48-15)33-14-32-17-21(27)30-13-31-22(17)33/h13-15,18-20,24,35-36,38H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20?,24-/m1/s1", + "name": "3-Hydroxyisopentyl-CoA", + "names": [ + "3-Hydroxyisopentyl coenzyme A", + "3-Hydroxyisopentyl-CoA" + ] + }, + { + "compound_id": "C05998", + "inchi": "InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20?,24-/m1/s1", + "name": "3-Hydroxyisovaleryl-CoA", + "names": [ + "3-Hydroxyisovaleryl coenzyme A", + "3-Hydroxyisovaleryl-CoA" + ] + }, + { + "compound_id": "C05999", + "inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3", + "name": "Lactaldehyde", + "names": [ + "2-Hydroxypropanal", + "2-Hydroxypropionaldehyde", + "Lactaldehyde" + ] + }, + { + "compound_id": "C06000", + "inchi": "InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19?,23+/m0/s1", + "name": "(S)-3-Hydroxyisobutyryl-CoA", + "names": [ + "(S)-3-Hydroxyisobutyryl-CoA" + ] + }, + { + "compound_id": "C06001", + "inchi": "InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1", + "name": "(S)-3-Hydroxyisobutyrate", + "names": [ + "(S)-3-Hydroxyisobutyrate" + ] + }, + { + "compound_id": "C06002", + "inchi": "InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1", + "name": "(S)-Methylmalonate semialdehyde", + "names": [ + "(S)-Methylmalonate semialdehyde" + ] + }, + { + "compound_id": "C06006", + "inchi": "InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1", + "name": "(S)-2-Aceto-2-hydroxybutanoate", + "names": [ + "(S)-2-Aceto-2-hydroxybutanoate", + "(S)-2-Hydroxy-2-ethyl-3-oxobutanoate" + ] + }, + { + "compound_id": "C06007", + "inchi": "InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1", + "name": "(R)-2,3-Dihydroxy-3-methylpentanoate", + "names": [ + "(2R,3R)-2,3-Dihydroxy-3-methylpentanoate", + "(R)-2,3-Dihydroxy-3-methylpentanoate", + "(R)-2,3-Dihydroxy-3-methylvalerate" + ] + }, + { + "compound_id": "C06008", + "inchi": "InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1", + "name": "(3R)-3-Methyl-2-oxopentanoic acid", + "names": [ + "(3R)-3-Methyl-2-oxopentanoic acid", + "(R)-2-Oxo-3-methylpentanoate", + "(R)-2-Oxo-3-methylpentanoic acid" + ] + }, + { + "compound_id": "C06010", + "inchi": "InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1", + "name": "(S)-2-Acetolactate", + "names": [ + "(S)-2-Acetolactate", + "(S)-2-Hydroxy-2-methyl-3-oxobutanoate" + ] + }, + { + "compound_id": "C06011", + "inchi": "InChI=1S/C6H7NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9,10)/p-1", + "name": "Benzenamine sulfate", + "names": [ + "Benzenamine sulfate" + ] + }, + { + "compound_id": "C06016", + "inchi": null, + "name": "Pentosan", + "names": [ + "Pentosan" + ] + }, + { + "compound_id": "C06017", + "inchi": "InChI=1S/C16H24N2O17P2/c1-5-3-18(16(26)17-13(5)23)8-2-6(19)7(32-8)4-31-36(27,28)35-37(29,30)34-15-11(22)9(20)10(21)12(33-15)14(24)25/h3,6-12,15,19-22H,2,4H2,1H3,(H,24,25)(H,27,28)(H,29,30)(H,17,23,26)/t6-,7+,8+,9-,10-,11+,12-,15+/m0/s1", + "name": "dTDP-D-glucuronate", + "names": [ + "dTDP-D-glucuronate" + ] + }, + { + "compound_id": "C06018", + "inchi": "InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13-,14+,15-,17-/m1/s1", + "name": "dTDP-4-acetamido-4,6-dideoxy-D-glucose", + "names": [ + "dTDP-4-acetamido-4,6-dideoxy-D-glucose" + ] + }, + { + "compound_id": "C06019", + "inchi": "InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-4,6-9,11H,1-2H2,(H2,12,13,14)/t3-,4-,6-/m1/s1", + "name": "D-arabino-Hex-3-ulose 6-phosphate", + "names": [ + "D-arabino-3-Hexulose 6-phosphate", + "D-arabino-6-Phospho-hex-3-ulose", + "D-arabino-Hex-3-ulose 6-phosphate" + ] + }, + { + "compound_id": "C06020", + "inchi": null, + "name": "Methylcorrinoid", + "names": [ + "Corrinoid protein Co2+-CH3", + "Methylcorrinoid", + "Methylcorrinoid protein" + ] + }, + { + "compound_id": "C06021", + "inchi": null, + "name": "Corrinoid", + "names": [ + "Corrinoid", + "Corrinoid protein", + "Corrinoid protein Co+" + ] + }, + { + "compound_id": "C06022", + "inchi": "InChI=1S/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/t17?,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1", + "name": "UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine", + "names": [ + "UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine", + "UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine" + ] + }, + { + "compound_id": "C06023", + "inchi": "InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14?,15?,16-,17?,18?/m1/s1", + "name": "D-Glucosaminide", + "names": [ + "D-Glucosaminide" + ] + }, + { + "compound_id": "C06024", + "inchi": "InChI=1S/C76H142N2O30P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)77-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(78-62(87)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(105-64(89)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(107-109(94,95)96)60(103-73)52-101-76(75(92)93)49-57(84)67(90)69(106-76)58(85)50-79/h53-60,65-74,79-85,90-91H,5-52H2,1-4H3,(H,77,86)(H,78,87)(H,92,93)(H2,94,95,96)(H2,97,98,99)/t53?,54?,55?,56?,57-,58-,59-,60-,65-,66-,67?,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1", + "name": "3-Deoxy-D-manno-octulosonyl-lipid IV(A)", + "names": [ + "3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate", + "3-Deoxy-D-manno-octulosonyl-lipid IV(A)", + "KDO-lipid IV(A)" + ] + }, + { + "compound_id": "C06025", + "inchi": "InChI=1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55?,56?,57?,58?,59-,60-,61-,62?,63-,64-,69-,70-,71?,72?,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1", + "name": "Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)", + "names": [ + "Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)", + "KDO2-lipid IV(A)" + ] + }, + { + "compound_id": "C06026", + "inchi": "InChI=1S/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(122)67-61-55-49-43-36-30-24-18-12-6)105(144-88(102(104)150-152(133,134)135)78-140-109(107(129)130)74-86(98(127)101(148-109)85(119)76-114)147-110(108(131)132)73-83(117)97(126)100(149-110)84(118)75-113)139-77-87-99(128)103(145-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(143-87)151-153(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t79?,80?,81?,82?,83-,84-,85-,86?,87-,88-,95-,96-,97?,98?,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1", + "name": "Di[3-deoxy-D-manno-octulosonyl]-lipid A", + "names": [ + "Di[3-deoxy-D-manno-octulosonyl]-lipid A", + "KDO2-lipid (A)" + ] + }, + { + "compound_id": "C06027", + "inchi": "InChI=1S/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t12-,13-,16+,17-,18-,19?,23-/m1/s1", + "name": "L-erythro-3-Methylmalyl-CoA", + "names": [ + "L-erythro-3-Methylmalyl-CoA", + "beta-Methylmalyl-CoA" + ] + }, + { + "compound_id": "C06028", + "inchi": "InChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20?,24-/m1/s1", + "name": "Mesaconyl-CoA", + "names": [ + "Mesaconyl-C1-CoA", + "Mesaconyl-CoA" + ] + }, + { + "compound_id": "C06029", + "inchi": "InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1", + "name": "L-threo-3-Methylmalate", + "names": [ + "L-threo-3-Methylmalate" + ] + }, + { + "compound_id": "C06030", + "inchi": "InChI=1S/C5H6O5/c1-2(4(7)8)3(6)5(9)10/h2H,1H3,(H,7,8)(H,9,10)/t2-/m0/s1", + "name": "Methyloxaloacetate", + "names": [ + "Methyloxaloacetate" + ] + }, + { + "compound_id": "C06031", + "inchi": "InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3-/m1/s1", + "name": "D-threo-3-Methylmalate", + "names": [ + "D-threo-3-Methylmalate" + ] + }, + { + "compound_id": "C06032", + "inchi": "InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1", + "name": "D-erythro-3-Methylmalate", + "names": [ + "(2R,3S)-3-Methylmalate", + "D-erythro-3-Methylmalate" + ] + }, + { + "compound_id": "C06033", + "inchi": "InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)", + "name": "Parapyruvate", + "names": [ + "4-Hydroxy-4-methyl-2-oxoglutarate", + "Parapyruvate" + ] + }, + { + "compound_id": "C06034", + "inchi": "InChI=1S/C6H11NO5/c1-6(12,5(10)11)2-3(7)4(8)9/h3,12H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,6-/m0/s1", + "name": "4-Hydroxy-4-methylglutamate", + "names": [ + "4-Hydroxy-4-methylglutamate" + ] + }, + { + "compound_id": "C06035", + "inchi": "InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)", + "name": "4-Methylene-2-oxoglutarate", + "names": [ + "2-Methylidene-4-oxopentanedioic acid", + "4-Carboxy-2-oxo-4-pentenoate", + "4-Methylene-2-oxoglutarate" + ] + }, + { + "compound_id": "C06036", + "inchi": null, + "name": "Trigalactosyl-diacylglycerol", + "names": [ + "1,2-Diacyl-3-O-(alpha-D-galactosyl(1->6)-O-alpha-D-galactosyl(1->6)-O-beta-D-galactosyl)-sn-glycerol", + "3-[alpha-D-Galactosyl-(1->6)-alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol", + "Gal-alpha1->6Gal-alpha1->6Galii-beta1->3acyl2Gro", + "Galalpha1->6Galalpha1->6Galiibeta1->3acyl2Gro", + "TGDG", + "Trigalactosyl-diacylglycerol" + ] + }, + { + "compound_id": "C06037", + "inchi": null, + "name": "Digalactosyl-diacylglycerol", + "names": [ + "1,2-Diacyl-3-O-(alpha-D-galactosyl(1->6)-O-beta-D-galactosyl)-sn-glycerol", + "2,3-Di-O-acyl-1-O-(6-O-alpha-D-galactosyl-beta-D-galactosyl)-D-glycerol", + "3-[alpha-D-Galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol", + "DGDG", + "Digalactosyl-diacylglycerol", + "Gal-alpha1->6Gal-beta1->3acyl2Gro", + "Galalpha1->6Galbeta1->3acyl2Gro" + ] + }, + { + "compound_id": "C06038", + "inchi": null, + "name": "Acyl1-monogalactosyl-diacylglycerol", + "names": [ + "1,2-Diacyl-3-O-(acyl(1->6)-O-beta-D-galactosyl)-sn-glycerol", + "Acyl1-monogalactosyl-diacylglycerol", + "Acylmono-beta-D-galactosyldiacylglycerol", + "acyl1->6Gal-beta1->3acyl2Gro", + "acyl1->6Galbeta1->3acyl2Gro" + ] + }, + { + "compound_id": "C06040", + "inchi": null, + "name": "Diglucosyl-diacylglycerol", + "names": [ + "1,2-Diacyl-3-O-(beta-D-glucopyranosyl(1->6)-O-beta-D-glucopyranosyl)-sn-glycerol", + "Diglucosyl-diacylglycerol", + "Glc-beta1->6Glc-beta1->3acyl2Gro", + "Glcbeta1->6Glcbeta1->3acyl2Gro" + ] + }, + { + "compound_id": "C06041", + "inchi": null, + "name": "Glycerophosphoglycoglycerolipid", + "names": [ + "(sn-Gro-1-P)->6Glc-beta1->6Glc-alpha1->3acyl2Gro", + "(sn-Gro-1-P)->6Glcbeta1->6Glcalpha1->3acyl2Gro", + "Glycerophosphoglycoglycerolipid" + ] + }, + { + "compound_id": "C06042", + "inchi": null, + "name": "Lipoteichoic acid", + "names": [ + "(sn-Gro-1-P)25->6Glc-alpha1->2Glc-alpha1->3acyl2Gro", + "Lipoteichoic acid" + ] + }, + { + "compound_id": "C06044", + "inchi": "InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2", + "name": "4-Hydroxyphenylethanol", + "names": [ + "4-Hydroxyphenylethanol", + "Tyrosol" + ] + }, + { + "compound_id": "C06046", + "inchi": "InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1", + "name": "Salidroside", + "names": [ + "Salidroside", + "Tyrosol glucoside", + "p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C06047", + "inchi": "InChI=1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)/t5-/m0/s1", + "name": "Stizolobate", + "names": [ + "Stizolobate" + ] + }, + { + "compound_id": "C06048", + "inchi": "InChI=1S/C9H9NO6/c10-5(7(11)12)3-4-1-2-6(8(13)14)16-9(4)15/h1-2,5H,3,10H2,(H,11,12)(H,13,14)/t5-/m0/s1", + "name": "Stizolobinate", + "names": [ + "Stizolobinate", + "Stizolobinic acid" + ] + }, + { + "compound_id": "C06049", + "inchi": null, + "name": "N-Formylderivatives", + "names": [ + "N-Formylderivatives" + ] + }, + { + "compound_id": "C06050", + "inchi": "InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)", + "name": "2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate", + "names": [ + "2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate", + "5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate" + ] + }, + { + "compound_id": "C06051", + "inchi": "InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3", + "name": "Isopyridoxal", + "names": [ + "Isopyridoxal" + ] + }, + { + "compound_id": "C06052", + "inchi": "InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3", + "name": "5-Pyridoxolactone", + "names": [ + "5-Pyridoxolactone" + ] + }, + { + "compound_id": "C06054", + "inchi": "InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1", + "name": "2-Oxo-3-hydroxy-4-phosphobutanoate", + "names": [ + "(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate", + "2-Oxo-3-hydroxy-4-phosphobutanoate", + "alpha-Keto-3-hydroxy-4-phosphobutyrate" + ] + }, + { + "compound_id": "C06055", + "inchi": "InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1", + "name": "O-Phospho-4-hydroxy-L-threonine", + "names": [ + "4-(Phosphonooxy)-L-threonine", + "4-(Phosphonooxy)-threonine", + "O-Phospho-4-hydroxy-L-threonine" + ] + }, + { + "compound_id": "C06056", + "inchi": "InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1", + "name": "4-Hydroxy-L-threonine", + "names": [ + "4-Hydroxy-L-threonine", + "Hydroxythreonine" + ] + }, + { + "compound_id": "C06057", + "inchi": "InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1", + "name": "3-Aminopropane-1,2-diol", + "names": [ + "(R)-3-Amino-1,2-propanediol", + "3-Aminopropane-1,2-diol" + ] + }, + { + "compound_id": "C06058", + "inchi": null, + "name": "Nitroalkane", + "names": [ + "Nitroalkane" + ] + }, + { + "compound_id": "C06059", + "inchi": null, + "name": "Cyclic amidines", + "names": [ + "Cyclic amidines" + ] + }, + { + "compound_id": "C06060", + "inchi": null, + "name": "Amidines", + "names": [ + "Amidines" + ] + }, + { + "compound_id": "C06062", + "inchi": null, + "name": "Ceramide phosphoethanolamine", + "names": [ + "Ceramide phosphoethanolamine" + ] + }, + { + "compound_id": "C06066", + "inchi": "InChI=1S/C10H16O3/c1-7(11)4-5-8-6-9(12)13-10(8,2)3/h8H,4-6H2,1-3H3", + "name": "4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one", + "names": [ + "4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one" + ] + }, + { + "compound_id": "C06067", + "inchi": "InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)", + "name": "Dimethylallyltryptophan", + "names": [ + "4-Dimethylallyltryptophan", + "Dimethylallyltryptophan" + ] + }, + { + "compound_id": "C06068", + "inchi": "InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1", + "name": "Elymoclavine", + "names": [ + "Dihydrolysergol", + "Elymoclavine" + ] + }, + { + "compound_id": "C06069", + "inchi": "InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8+,9+,10-/m0/s1", + "name": "Iridodial", + "names": [ + "Iridodial" + ] + }, + { + "compound_id": "C06070", + "inchi": "InChI=1S/C10H14O3/c1-7-2-3-9(10(7)6-13)8(4-11)5-12/h4-7,9-11H,2-3H2,1H3/b8-4+/t7-,9+,10+/m0/s1", + "name": "Iridotrial", + "names": [ + "(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde", + "Iridotrial" + ] + }, + { + "compound_id": "C06071", + "inchi": "InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1", + "name": "Deoxyloganin", + "names": [ + "7-Deoxyloganin", + "Deoxyloganin" + ] + }, + { + "compound_id": "C06074", + "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3", + "name": "Myrcene", + "names": [ + "Myrcene", + "beta-Myrcene" + ] + }, + { + "compound_id": "C06075", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3", + "name": "Terpinolene", + "names": [ + "Terpinolene" + ] + }, + { + "compound_id": "C06076", + "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3", + "name": "Comphene", + "names": [ + "Camphene", + "Comphene" + ] + }, + { + "compound_id": "C06077", + "inchi": null, + "name": "Pinene", + "names": [ + "Pinene" + ] + }, + { + "compound_id": "C06078", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3", + "name": "Limonene", + "names": [ + "Cajeputene", + "Dipentene", + "Kautschin", + "Limonene", + "dl-Limonene" + ] + }, + { + "compound_id": "C06079", + "inchi": "InChI=1S/C17H20O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,7-8,12-14H,6H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1", + "name": "PR-toxin", + "names": [ + "PR Toxin", + "PR-toxin" + ] + }, + { + "compound_id": "C06080", + "inchi": "InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1", + "name": "Nivalenol", + "names": [ + "Nivalenol" + ] + }, + { + "compound_id": "C06081", + "inchi": "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+", + "name": "Polyprenol", + "names": [ + "Polyprenol" + ] + }, + { + "compound_id": "C06082", + "inchi": "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1", + "name": "Abscisate", + "names": [ + "(+)-Abscisic acid", + "Abscisate", + "Abscisic acid" + ] + }, + { + "compound_id": "C06083", + "inchi": "InChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1", + "name": "Tetrahymanol", + "names": [ + "Tetrahymanol" + ] + }, + { + "compound_id": "C06084", + "inchi": null, + "name": "Hopanoid", + "names": [ + "Hopanoid" + ] + }, + { + "compound_id": "C06085", + "inchi": null, + "name": "Triterpenoid", + "names": [ + "Triterpenoid" + ] + }, + { + "compound_id": "C06086", + "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m0/s1", + "name": "Pimaradiene", + "names": [ + "Pimaradiene" + ] + }, + { + "compound_id": "C06087", + "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1", + "name": "Abietate", + "names": [ + "Abietate", + "Abietic acid" + ] + }, + { + "compound_id": "C06088", + "inchi": "InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14?,15-,16+,17-,18-,19-,20-/m0/s1", + "name": "Aphidicolin", + "names": [ + "Aphidicolin" + ] + }, + { + "compound_id": "C06089", + "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m1/s1", + "name": "ent-Copalyl diphosphate", + "names": [ + "(-)-Copalyl diphosphate", + "ent-Copalyl diphosphate" + ] + }, + { + "compound_id": "C06090", + "inchi": "InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20?/m1/s1", + "name": "ent-Kaurene", + "names": [ + "ent-Kaur-16-ene", + "ent-Kaurene" + ] + }, + { + "compound_id": "C06091", + "inchi": "InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21?,22-,23?,24?,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1", + "name": "Aconitine", + "names": [ + "Aconitine" + ] + }, + { + "compound_id": "C06092", + "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15?,16-,17-,18-,19-,20-,21?,22-/m0/s1", + "name": "Veatchine", + "names": [ + "Veatchine" + ] + }, + { + "compound_id": "C06093", + "inchi": "InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13-,14+,15+,16?,18+,19-,20-/m1/s1", + "name": "Gibberellin A12 aldehyde", + "names": [ + "Gibberellin A12 aldehyde" + ] + }, + { + "compound_id": "C06094", + "inchi": "InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1", + "name": "Gibberellin A53", + "names": [ + "Gibberellin A53" + ] + }, + { + "compound_id": "C06095", + "inchi": "InChI=1S/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1", + "name": "Gibberellin A44 diacid", + "names": [ + "Gibberellin A44 diacid", + "Gibberellin A44 open lactone" + ] + }, + { + "compound_id": "C06096", + "inchi": "InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1", + "name": "Gibberellin A29", + "names": [ + "Gibberellin A29" + ] + }, + { + "compound_id": "C06098", + "inchi": "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1", + "name": "Zeaxanthin", + "names": [ + "Zeaxanthin" + ] + }, + { + "compound_id": "C06099", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1", + "name": "(+)-Limonene", + "names": [ + "(+)-(4R)-Limonene", + "(+)-(R)-Limonene", + "(+)-Limonene" + ] + }, + { + "compound_id": "C06102", + "inchi": "InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)", + "name": "Adipate semialdehyde", + "names": [ + "6-Oxohexanoate", + "6-Oxohexanoic acid", + "Adipate semialdehyde", + "Hexan-1-one-6-carboxylate" + ] + }, + { + "compound_id": "C06103", + "inchi": "InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)", + "name": "6-Hydroxyhexanoic acid", + "names": [ + "6-Hydroxyhexanoate", + "6-Hydroxyhexanoic acid" + ] + }, + { + "compound_id": "C06104", + "inchi": "InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)", + "name": "Adipate", + "names": [ + "Adipate", + "Adipic acid", + "Hexan-1,6-dicarboxylate", + "Hexanedioate" + ] + }, + { + "compound_id": "C06105", + "inchi": "InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2", + "name": "Cyclohexane-1,2-dione", + "names": [ + "Cyclohexane-1,2-dione" + ] + }, + { + "compound_id": "C06108", + "inchi": "InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)", + "name": "Fluoroacetate", + "names": [ + "Cymonic acid", + "Fluoroacetate", + "Fluoroacetic acid", + "Gifblaar poison", + "HFA", + "UN 2642" + ] + }, + { + "compound_id": "C06109", + "inchi": null, + "name": "Cytochrome P-450 oxidized form", + "names": [ + "Cytochrome P-450 oxidized form" + ] + }, + { + "compound_id": "C06110", + "inchi": null, + "name": "Cytochrome P-450 reduced form", + "names": [ + "Cytochrome P-450 reduced form" + ] + }, + { + "compound_id": "C06111", + "inchi": "InChI=1S/C15H28O7P2/c1-6-15(5,21-24(19,20)22-23(16,17)18)12-8-11-14(4)10-7-9-13(2)3/h6,9,11H,1,7-8,10,12H2,2-5H3,(H,19,20)(H2,16,17,18)/b14-11+", + "name": "Nerolidyl diphosphate", + "names": [ + "NPP", + "Nerolidyl diphosphate" + ] + }, + { + "compound_id": "C06112", + "inchi": null, + "name": "L-Glutamyl-tRNA(Gln)", + "names": [ + "Glu-tRNA(Gln)", + "Glutamyl-tRNA(Gln)", + "L-Glutamyl-tRNA(Gln)" + ] + }, + { + "compound_id": "C06113", + "inchi": null, + "name": "L-Aspartyl-tRNA(Asn)", + "names": [ + "Asp-tRNA(Asn)", + "Aspartyl-tRNA(Asn)", + "L-Aspartyl-tRNA(Asn)" + ] + }, + { + "compound_id": "C06114", + "inchi": "InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1", + "name": "gamma-Glutamyl-beta-aminopropiononitrile", + "names": [ + "gamma-Glutamyl-3-aminopropiononitrile", + "gamma-Glutamyl-beta-aminopropiononitrile" + ] + }, + { + "compound_id": "C06115", + "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m0/s1", + "name": "L-Arabinofuranose", + "names": [ + "L-Arabinofuranose" + ] + }, + { + "compound_id": "C06118", + "inchi": "InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7?,8-,11+,12?/m0/s1", + "name": "4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate", + "names": [ + "4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate", + "4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate", + "Unsaturated digalacturonate" + ] + }, + { + "compound_id": "C06121", + "inchi": "InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17,20H,2-13,16,19H2,1H3/b15-14+/t17-/m0/s1", + "name": "3-Ketosphingosine", + "names": [ + "3-Ketosphingosine" + ] + }, + { + "compound_id": "C06123", + "inchi": "InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+", + "name": "Hexadecenal", + "names": [ + "2-trans-Hexadecenal", + "Hexadecenal" + ] + }, + { + "compound_id": "C06124", + "inchi": "InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1", + "name": "Sphingosine 1-phosphate", + "names": [ + "Sphing-4-enine 1-phosphate", + "Sphingosine 1-phosphate" + ] + }, + { + "compound_id": "C06125", + "inchi": null, + "name": "Sulfatide", + "names": [ + "Cerebroside 3-sulfate", + "Galactosylceramidesulfate", + "Sulfatide" + ] + }, + { + "compound_id": "C06126", + "inchi": null, + "name": "Digalactosylceramide", + "names": [ + "Digalactosylceramide", + "Gal-alpha1->4Gal-beta1->1'Cer" + ] + }, + { + "compound_id": "C06127", + "inchi": null, + "name": "Digalactosylceramidesulfate", + "names": [ + "Digalactosylceramidesulfate" + ] + }, + { + "compound_id": "C06128", + "inchi": null, + "name": "GM4", + "names": [ + "GM4", + "N-Acetylneuraminyl-galactosylceramide", + "Neu5Ac-alpha2->3Gal-beta1->1'Cer" + ] + }, + { + "compound_id": "C06129", + "inchi": null, + "name": "Ceramidepentasaccharide", + "names": [ + "Ceramidepentasaccharide" + ] + }, + { + "compound_id": "C06130", + "inchi": null, + "name": "Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer", + "names": [ + "Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer" + ] + }, + { + "compound_id": "C06131", + "inchi": null, + "name": "Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer", + "names": [ + "Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer" + ] + }, + { + "compound_id": "C06132", + "inchi": null, + "name": "Type A glycolipid", + "names": [ + "GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", + "GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer", + "Type A glycolipid" + ] + }, + { + "compound_id": "C06133", + "inchi": null, + "name": "GD3", + "names": [ + "GD3", + "NeuAc-alpha2->8NeuAc-alpha2->3Gal-beta1->4Glc-beta1->1'Cer", + "NeuAc-alpha2->8NeuAc2->3LacCer", + "alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-glucosyl-1,1'-ceramide" + ] + }, + { + "compound_id": "C06134", + "inchi": null, + "name": "GD2", + "names": [ + "GD2", + "GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)Gal-beta1->4Glc-beta1->1'Cer", + "GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)LacCer" + ] + }, + { + "compound_id": "C06135", + "inchi": null, + "name": "GA2", + "names": [ + "GA2", + "GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer", + "GalNAc-beta1->4LacCer" + ] + }, + { + "compound_id": "C06136", + "inchi": null, + "name": "GA1", + "names": [ + "GA1", + "Gal-beta1->3GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer", + "Gal-beta1->3GalNAc-beta1->4LacCer" + ] + }, + { + "compound_id": "C06138", + "inchi": null, + "name": "GT1a", + "names": [ + "GT1a", + "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", + "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)LacCer" + ] + }, + { + "compound_id": "C06139", + "inchi": null, + "name": "GQ1", + "names": [ + "GQ1", + "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", + "Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer" + ] + }, + { + "compound_id": "C06140", + "inchi": null, + "name": "GT1b", + "names": [ + "GT1b", + "Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", + "Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer" + ] + }, + { + "compound_id": "C06141", + "inchi": null, + "name": "GD1b", + "names": [ + "GD1b", + "Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer", + "Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer" + ] + }, + { + "compound_id": "C06142", + "inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3", + "name": "1-Butanol", + "names": [ + "1-Butanol", + "n-Butanol" + ] + }, + { + "compound_id": "C06143", + "inchi": null, + "name": "Poly-beta-hydroxybutyrate", + "names": [ + "Poly-beta-hydroxybutyrate" + ] + }, + { + "compound_id": "C06144", + "inchi": "InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)", + "name": "3-Butynoate", + "names": [ + "3-Butynoate", + "But-3-ynoate" + ] + }, + { + "compound_id": "C06145", + "inchi": "InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2", + "name": "3-Butyn-1-al", + "names": [ + "3-Butyn-1-al" + ] + }, + { + "compound_id": "C06146", + "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2", + "name": "3-Butyn-1-ol", + "names": [ + "3-Butyn-1-ol" + ] + }, + { + "compound_id": "C06148", + "inchi": "InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18)", + "name": "2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine", + "names": [ + "2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine" + ] + }, + { + "compound_id": "C06149", + "inchi": "InChI=1S/C11H20N5O13P3/c1-4-7(14-6-8(13-4)15-10(12)16-9(6)18)11(2,19)5(17)3-27-31(23,24)29-32(25,26)28-30(20,21)22/h4-5,17,19H,3H2,1-2H3,(H,23,24)(H,25,26)(H2,20,21,22)(H4,12,13,15,16,18)", + "name": "6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin", + "names": [ + "6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin" + ] + }, + { + "compound_id": "C06150", + "inchi": null, + "name": "D-Inositol", + "names": [ + "(+)-Inositol", + "D-Inositol" + ] + }, + { + "compound_id": "C06151", + "inchi": "InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m1/s1", + "name": "1L-chiro-Inositol", + "names": [ + "1L-chiro-Inositol" + ] + }, + { + "compound_id": "C06152", + "inchi": "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+", + "name": "muco-Inositol", + "names": [ + "muco-Inositol" + ] + }, + { + "compound_id": "C06153", + "inchi": "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-", + "name": "Scyllo-inositol", + "names": [ + "Scyllitol", + "Scyllo-inositol" + ] + }, + { + "compound_id": "C06155", + "inchi": "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2+,3-,4-,5+,6+", + "name": "L-myo-Inositol 5-phosphate", + "names": [ + "L-myo-Inositol 5-phosphate" + ] + }, + { + "compound_id": "C06156", + "inchi": "InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1", + "name": "alpha-D-Glucosamine 1-phosphate", + "names": [ + "D-Glucosamine 1-phosphate", + "alpha-D-Glucosamine 1-phosphate" + ] + }, + { + "compound_id": "C06157", + "inchi": null, + "name": "[Dihydrolipoyllysine-residue succinyltransferase] S-glutaryldihydrolipoyllysine", + "names": [ + "S-Glutaryldihydrolipoamide-E", + "[Dihydrolipoyllysine-residue succinyltransferase] S-glutaryldihydrolipoyllysine" + ] + }, + { + "compound_id": "C06158", + "inchi": "InChI=1S/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3/t2-,3-,4-,5+/m1/s1", + "name": "D-Fucono-1,4-lactone", + "names": [ + "D-Fucono-1,4-lactone" + ] + }, + { + "compound_id": "C06159", + "inchi": "InChI=1S/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)/t3-,4-/m1/s1", + "name": "2-Dehydro-3-deoxy-D-fuconate", + "names": [ + "2-Dehydro-3-deoxy-D-fuconate" + ] + }, + { + "compound_id": "C06160", + "inchi": "InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m0/s1", + "name": "(S)-Norcoclaurine", + "names": [ + "(S)-Norcoclaurine", + "6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline" + ] + }, + { + "compound_id": "C06161", + "inchi": "InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1", + "name": "(S)-Coclaurine", + "names": [ + "(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol", + "(S)-Coclaurine", + "1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline" + ] + }, + { + "compound_id": "C06162", + "inchi": "InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1", + "name": "Sanguinarine", + "names": [ + "Sanguinarine" + ] + }, + { + "compound_id": "C06163", + "inchi": "InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21?/m0/s1", + "name": "(S)-cis-N-methylstylopine", + "names": [ + "(S)-cis-N-methylstylopine" + ] + }, + { + "compound_id": "C06165", + "inchi": "InChI=1S/C22H18NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-8H,9-10H2,1-3H3/q+1", + "name": "Macarpine", + "names": [ + "Macarpine" + ] + }, + { + "compound_id": "C06167", + "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1", + "name": "1,2-Dehydroreticuline", + "names": [ + "1,2-Dehydroreticuline", + "1,2-Dehydroreticulinium", + "3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium" + ] + }, + { + "compound_id": "C06171", + "inchi": "InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1", + "name": "Codeinone", + "names": [ + "(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one", + "Codeinone" + ] + }, + { + "compound_id": "C06172", + "inchi": "InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/t12-,17?,18+/m1/s1", + "name": "Neopinone", + "names": [ + "Neopinone" + ] + }, + { + "compound_id": "C06173", + "inchi": "InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1", + "name": "Thebaine", + "names": [ + "Thebaine" + ] + }, + { + "compound_id": "C06174", + "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1", + "name": "Codeine", + "names": [ + "(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol", + "Codeine" + ] + }, + { + "compound_id": "C06175", + "inchi": "InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1", + "name": "Oripavine", + "names": [ + "Oripavine" + ] + }, + { + "compound_id": "C06176", + "inchi": "InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1", + "name": "Senecionine", + "names": [ + "Senecionine" + ] + }, + { + "compound_id": "C06177", + "inchi": "InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s1", + "name": "Retronecine", + "names": [ + "Retronecine" + ] + }, + { + "compound_id": "C06178", + "inchi": "InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1", + "name": "1-Methylpyrrolinium", + "names": [ + "1-Methyl-delta(1)-pyrrolinium", + "1-Methylpyrrolinium" + ] + }, + { + "compound_id": "C06179", + "inchi": "InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1", + "name": "Hygrine", + "names": [ + "(+)-Hygrine", + "Hygrine" + ] + }, + { + "compound_id": "C06180", + "inchi": "InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2", + "name": "Anabasine", + "names": [ + "Anabasine" + ] + }, + { + "compound_id": "C06181", + "inchi": "InChI=1S/C5H9N/c1-2-4-6-5-3-1/h4H,1-3,5H2", + "name": "Piperideine", + "names": [ + "1-Piperideine", + "Piperideine" + ] + }, + { + "compound_id": "C06182", + "inchi": "InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3", + "name": "Pelletierine", + "names": [ + "Pelletierine" + ] + }, + { + "compound_id": "C06183", + "inchi": "InChI=1S/C13H24N2O/c16-13(9-11-5-1-3-7-14-11)10-12-6-2-4-8-15-12/h11-12,14-15H,1-10H2/t11-,12-/m0/s1", + "name": "Anapheline", + "names": [ + "Anapheline", + "L-(+)-Anaferine" + ] + }, + { + "compound_id": "C06184", + "inchi": "InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3", + "name": "N-Methylpelletierine", + "names": [ + "N-Methylpelletierine" + ] + }, + { + "compound_id": "C06185", + "inchi": "InChI=1S/C10H18N2O2/c1-7(13)14-10-4-5-12-6-8(11)2-3-9(10)12/h8-10H,2-6,11H2,1H3/t8-,9?,10-/m0/s1", + "name": "Slaframine", + "names": [ + "Slaframine" + ] + }, + { + "compound_id": "C06186", + "inchi": "InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1", + "name": "Arbutin", + "names": [ + "Arbutin", + "Hydroquinone-O-beta-D-glucopyranoside", + "Ursin", + "Uvasol" + ] + }, + { + "compound_id": "C06187", + "inchi": "InChI=1S/C12H17O10P/c13-6-1-3-7(4-2-6)21-12-11(16)10(15)9(14)8(22-12)5-20-23(17,18)19/h1-4,8-16H,5H2,(H2,17,18,19)/t8-,9-,10+,11-,12-/m1/s1", + "name": "Arbutin 6-phosphate", + "names": [ + "Arbutin 6-phosphate", + "Arbutin-6P" + ] + }, + { + "compound_id": "C06188", + "inchi": "InChI=1S/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)/t9-,10-,11+,12-,13-/m1/s1", + "name": "Salicin 6-phosphate", + "names": [ + "Salicin 6-phosphate", + "Salicin-6P" + ] + }, + { + "compound_id": "C06189", + "inchi": "InChI=1S/C3H6O9P2/c4-3(5)2-1-10-13(6,7)12-14(8,9)11-2/h2H,1H2,(H,4,5)(H,6,7)(H,8,9)", + "name": "Cyclic 2,3-bisphospho-D-glycerate", + "names": [ + "Cyclic 2,3-bisphospho-D-glycerate", + "Cyclic 2,3-diphospho-D-glycerate", + "Cyclic glycerate-2,3P2", + "cDPG" + ] + }, + { + "compound_id": "C06192", + "inchi": "InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m1/s1", + "name": "ADP-mannose", + "names": [ + "ADP-mannose", + "APD-D-mannose" + ] + }, + { + "compound_id": "C06193", + "inchi": "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1", + "name": "Guanosine 3'-phosphate", + "names": [ + "3'-GMP", + "3'-Guanylic acid", + "Gp", + "Guanosine 3'-phosphate", + "Guo-3'-P" + ] + }, + { + "compound_id": "C06194", + "inchi": "InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1", + "name": "2',3'-Cyclic GMP", + "names": [ + "2',3'-Cyclic GMP" + ] + }, + { + "compound_id": "C06195", + "inchi": "InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)", + "name": "Imidazolone", + "names": [ + "4-Imidazolone", + "Imidazol-4-one", + "Imidazolone" + ] + }, + { + "compound_id": "C06196", + "inchi": "InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1", + "name": "2'-Deoxyinosine 5'-phosphate", + "names": [ + "2'-Deoxyinosine 5'-phosphate", + "dIMP" + ] + }, + { + "compound_id": "C06197", + "inchi": "InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1", + "name": "P1,P3-Bis(5'-adenosyl) triphosphate", + "names": [ + "Adenosine 5'-triphosphate 5'-adenosine", + "ApppA", + "P1,P3-Bis(5'-adenosyl) triphosphate" + ] + }, + { + "compound_id": "C06198", + "inchi": "InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1", + "name": "P1,P4-Bis(5'-uridyl) tetraphosphate", + "names": [ + "P1,P4-Bis(5'-uridyl) tetraphosphate", + "UppppU" + ] + }, + { + "compound_id": "C06199", + "inchi": "InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3", + "name": "Hordenine", + "names": [ + "4-[2-(Dimethylamino)ethyl]phenol", + "Hordenine" + ] + }, + { + "compound_id": "C06201", + "inchi": "InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3-", + "name": "2,4-Dihydroxyhept-2-enedioate", + "names": [ + "2,4-Dihydroxyhept-2-1,7-dioate", + "2,4-Dihydroxyhept-2-enedioate", + "2,4-Dihydroxyhept-2-enedioic acid" + ] + }, + { + "compound_id": "C06202", + "inchi": "InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H", + "name": "Salicylaldehyde", + "names": [ + "2-Hydroxybenzaldehyde", + "Salicylaldehyde", + "o-Hydroxybenzaldehyde" + ] + }, + { + "compound_id": "C06203", + "inchi": "InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)/b6-5+", + "name": "trans-O-Hydroxybenzylidenepyruvate", + "names": [ + "(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoate", + "trans-O-Hydroxybenzylidenepyruvate" + ] + }, + { + "compound_id": "C06204", + "inchi": "InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)", + "name": "2-Hydroxychromene-2-carboxylate", + "names": [ + "2-Hydroxy-2H-chromene-2-carboxylate", + "2-Hydroxychromene-2-carboxylate" + ] + }, + { + "compound_id": "C06205", + "inchi": "InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H", + "name": "1,2-Dihydronaphthalene-1,2-diol", + "names": [ + "1,2-Dihydronaphthalene-1,2-diol" + ] + }, + { + "compound_id": "C06206", + "inchi": "InChI=1S/C7H7O5P/c8-7(12-13(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)", + "name": "Benzoyl phosphate", + "names": [ + "Benzoyl phosphate" + ] + }, + { + "compound_id": "C06207", + "inchi": "InChI=1S/C8H8O4/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)", + "name": "2,6-Dihydroxyphenylacetate", + "names": [ + "2,6-Dihydroxyphenylacetate" + ] + }, + { + "compound_id": "C06210", + "inchi": "InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b3-2-,6-4+", + "name": "2-Hydroxy-6-keto-2,4-heptadienoate", + "names": [ + "2-Hydroxy-6-keto-2,4-heptadienoate", + "2-Hydroxy-6-oxo-hept-2,4-dienoate" + ] + }, + { + "compound_id": "C06212", + "inchi": "InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3", + "name": "N-Methylserotonin", + "names": [ + "N-Methylserotonin" + ] + }, + { + "compound_id": "C06213", + "inchi": "InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3", + "name": "N-Methyltryptamine", + "names": [ + "1-Methyl-2-(3-indolyl)ethylamine", + "N-Methylindoleethylamine", + "N-Methyltryptamine" + ] + }, + { + "compound_id": "C06215", + "inchi": "InChI=1S/C18H32O16/c19-1-7-10(23)14(27)17(5-21,33-7)31-3-9-12(25)15(28)18(6-22,34-9)30-2-8-11(24)13(26)16(29,4-20)32-8/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-/m1/s1", + "name": "Levan", + "names": [ + "(2,6--d-fructosyl)n", + "(2,6--d-fructosyl)n+1", + "(2,6-beta-D-Fructosyl)n", + "(2,6-beta-D-Fructosyl)n+1", + "2,6-beta-D-Fructan", + "Levan", + "Levan n" + ] + }, + { + "compound_id": "C06216", + "inchi": "InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30?,31?,32?,33?,34?,35?,36-,37?,38?,39?,40?,41?,42?/m1/s1", + "name": "Celloheptaose", + "names": [ + "Celloheptaose" + ] + }, + { + "compound_id": "C06217", + "inchi": "InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26?,27?,28?,29?,30?,31-,32?,33?,34?,35?,36?/m1/s1", + "name": "Cellohexaose", + "names": [ + "Cellohexaose" + ] + }, + { + "compound_id": "C06218", + "inchi": "InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22?,23?,24?,25?,26-,27?,28?,29?,30?/m1/s1", + "name": "Cellopentaose", + "names": [ + "Cellopentaose" + ] + }, + { + "compound_id": "C06219", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14?,15?,16-,17?,18?/m1/s1", + "name": "Cellotriose", + "names": [ + "Cellotriose" + ] + }, + { + "compound_id": "C06222", + "inchi": "InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3,5-9,11-13H,1-2H2,(H2,14,15,16)/t3-,5-,6-,7-/m1/s1", + "name": "Sedoheptulose 1-phosphate", + "names": [ + "Sedoheptulose 1-phosphate", + "altro-Heptulose 1-phosphate" + ] + }, + { + "compound_id": "C06224", + "inchi": "InChI=1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2", + "name": "3,4-Dihydroxystyrene", + "names": [ + "3,4-Dihydroxystyrene" + ] + }, + { + "compound_id": "C06227", + "inchi": null, + "name": "Fe(III)hydroxamate", + "names": [ + "Fe(III)hydroxamate", + "Fe(III)hydroxamic acid" + ] + }, + { + "compound_id": "C06228", + "inchi": "InChI=1S/C27H42N9O12.Fe/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3/t19-,20-,21-;/m0./s1", + "name": "Ferrichrome", + "names": [ + "Ferrichrome" + ] + }, + { + "compound_id": "C06229", + "inchi": "InChI=1S/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-6", + "name": "Fe(III)dicitrate", + "names": [ + "Fe(III)dicitrate", + "Iron(III)dicitrate" + ] + }, + { + "compound_id": "C06230", + "inchi": "InChI=1S/C30H27N3O15.Fe/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38;/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42);/q;+3/p-6/t16-,17-,18-;/m0./s1", + "name": "Fe-enterobactin", + "names": [ + "Fe-enterobactin", + "Fe-enterochlin" + ] + }, + { + "compound_id": "C06231", + "inchi": "InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1", + "name": "Ectoine", + "names": [ + "Ectoine", + "L-Ectoine" + ] + }, + { + "compound_id": "C06232", + "inchi": "InChI=1/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2/fMo.2HO.2O/h;2*1h;;/qm;2*-1;;", + "name": "Molybdate", + "names": [ + "Molybdate" + ] + }, + { + "compound_id": "C06234", + "inchi": "InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1", + "name": "4-Methyl-L-glutamate", + "names": [ + "4-Methyl-L-glutamate" + ] + }, + { + "compound_id": "C06238", + "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5?/m0/s1", + "name": "L-Arabinose 1-phosphate", + "names": [ + "L-Arabinose 1-phosphate" + ] + }, + { + "compound_id": "C06239", + "inchi": "InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1", + "name": "alpha-L-Arabinose 1-phosphate", + "names": [ + "alpha-L-Arabinose 1-phosphate" + ] + }, + { + "compound_id": "C06240", + "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1", + "name": "UDP-N-acetyl-D-mannosaminouronate", + "names": [ + "UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate", + "UDP-N-acetyl-D-mannosaminouronate", + "UDP-N-acetyl-D-mannosaminuronic acid" + ] + }, + { + "compound_id": "C06241", + "inchi": "InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6?,7+,8-,9+,11?/m0/s1", + "name": "N-Acetylneuraminate 9-phosphate", + "names": [ + "N-Acetylneuraminate 9-phosphate" + ] + }, + { + "compound_id": "C06244", + "inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)", + "name": "Acetamide", + "names": [ + "Acetamide" + ] + }, + { + "compound_id": "C06246", + "inchi": null, + "name": "Gla protein", + "names": [ + "Gla protein", + "Peptidyl-4-carboxyglutamate" + ] + }, + { + "compound_id": "C06247", + "inchi": null, + "name": "Gla protein precursor", + "names": [ + "Gla protein precursor", + "Peptidyl-glutamate" + ] + }, + { + "compound_id": "C06248", + "inchi": "InChI=1S/C5H12O10P2/c6-2-4-3(7)1-5(13-4)14-17(11,12)15-16(8,9)10/h3-7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4+,5?/m0/s1", + "name": "D-Ribose 1-diphosphate", + "names": [ + "D-Ribose 1-diphosphate" + ] + }, + { + "compound_id": "C06249", + "inchi": null, + "name": "Apo-[carboxylase]", + "names": [ + "Apo-[carboxylase]" + ] + }, + { + "compound_id": "C06250", + "inchi": null, + "name": "Holo-[carboxylase]", + "names": [ + "Biotin-carboxyl-carrier protein", + "Holo-[carboxylase]" + ] + }, + { + "compound_id": "C06251", + "inchi": "InChI=1S/C96H176N2O38P2/c1-6-11-16-21-26-31-36-41-46-51-66(101)56-76(107)97-81-89(130-79(110)57-67(102)52-47-42-37-32-27-22-17-12-7-2)85(114)74(128-92(81)136-138(122,123)124)64-125-91-82(98-77(108)59-69(54-49-44-39-34-29-24-19-14-9-4)127-78(109)55-50-45-40-35-30-25-20-15-10-5)90(131-80(111)58-68(103)53-48-43-38-33-28-23-18-13-8-3)88(135-137(119,120)121)75(129-91)65-126-95(93(115)116)61-73(84(113)87(133-95)72(106)63-100)132-96(94(117)118)60-70(104)83(112)86(134-96)71(105)62-99/h66-75,81-92,99-106,112-114H,6-65H2,1-5H3,(H,97,107)(H,98,108)(H,115,116)(H,117,118)(H2,119,120,121)(H2,122,123,124)/t66?,67?,68?,69?,70-,71-,72-,73?,74-,75-,81-,82-,83?,84?,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-/m1/s1", + "name": "Lauroyl-KDO2-lipid IV(A)", + "names": [ + "Lauroyl-KDO2-lipid IV(A)" + ] + }, + { + "compound_id": "C06254", + "inchi": null, + "name": "Lysophospholipid", + "names": [ + "Lysophospholipid" + ] + }, + { + "compound_id": "C06255", + "inchi": "InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)", + "name": "2-Oxopentanoic acid", + "names": [ + "2-Oxopentanoate", + "2-Oxopentanoic acid", + "2-Oxovalerate", + "alpha-Ketovaleric acid" + ] + }, + { + "compound_id": "C06257", + "inchi": "InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h4-6,8-9H,2H2,1H3/t4-,5-/m1/s1", + "name": "1-Deoxy-D-xylulose", + "names": [ + "1-Deoxy-D-xylulose" + ] + }, + { + "compound_id": "C06258", + "inchi": null, + "name": "Globin", + "names": [ + "Globin" + ] + }, + { + "compound_id": "C06259", + "inchi": null, + "name": "Ferrocytochrome b", + "names": [ + "Ferrocytochrome b" + ] + }, + { + "compound_id": "C06260", + "inchi": null, + "name": "Ferricytochrome b", + "names": [ + "Ferricytochrome b" + ] + }, + { + "compound_id": "C06262", + "inchi": null, + "name": "Phosphorus", + "names": [ + "P", + "Phosphorus" + ] + }, + { + "compound_id": "C06263", + "inchi": null, + "name": "Silicon", + "names": [ + "Si", + "Silicon" + ] + }, + { + "compound_id": "C06264", + "inchi": null, + "name": "Aluminium", + "names": [ + "Al", + "Aluminium" + ] + }, + { + "compound_id": "C06265", + "inchi": null, + "name": "Carbon", + "names": [ + "C", + "Carbon" + ] + }, + { + "compound_id": "C06266", + "inchi": null, + "name": "Boron", + "names": [ + "B", + "Boron" + ] + }, + { + "compound_id": "C06267", + "inchi": null, + "name": "Vanadium", + "names": [ + "V", + "Vanadium" + ] + }, + { + "compound_id": "C06268", + "inchi": "InChI=1S/Cr", + "name": "Chromium", + "names": [ + "Chromium", + "Cr" + ] + }, + { + "compound_id": "C06269", + "inchi": "InChI=1S/AsH3/h1H3", + "name": "Arsenic", + "names": [ + "Arsenic", + "As" + ] + }, + { + "compound_id": "C06272", + "inchi": null, + "name": "Gal-beta1->3GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", + "names": [ + "Ceramidetetrahexoside (beta 1->3)", + "Ceramidetetrasaccharide (beta1->3)", + "Gal-beta1->3GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", + "Paragloboside (beta 1->3)" + ] + }, + { + "compound_id": "C06273", + "inchi": null, + "name": "Gal-beta1->4GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", + "names": [ + "Ceramidetetrahexoside (beta 1->4)", + "Ceramidetetrasaccharide (beta 1->4)", + "Gal-beta1->4GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer", + "Paragloboside (beta 1->4)" + ] + }, + { + "compound_id": "C06297", + "inchi": null, + "name": "NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer", + "names": [ + "NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer", + "NeuGc-alpha2->8NeuGc2->3LacCer" + ] + }, + { + "compound_id": "C06299", + "inchi": null, + "name": "NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer", + "names": [ + "NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3Gal-beta1->4Glc-beta1->1'Cer", + "NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer" + ] + }, + { + "compound_id": "C06300", + "inchi": null, + "name": "NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3LacCer", + "names": [ + "NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer", + "NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3LacCer" + ] + }, + { + "compound_id": "C06302", + "inchi": null, + "name": "GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)LacCer", + "names": [ + "GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)Gal-beta1->4Glc-beta1->1'Cer", + "GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)LacCer" + ] + }, + { + "compound_id": "C06304", + "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1", + "name": "(+)-Comphene", + "names": [ + "(+)-Camphene", + "(+)-Comphene" + ] + }, + { + "compound_id": "C06305", + "inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1", + "name": "(-)-Comphene", + "names": [ + "(-)-Camphene", + "(-)-Comphene" + ] + }, + { + "compound_id": "C06306", + "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1", + "name": "(+)-alpha-Pinene", + "names": [ + "(+)-alpha-Pinene", + "(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene" + ] + }, + { + "compound_id": "C06307", + "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1", + "name": "(-)-beta-Pinene", + "names": [ + "(-)-beta-Pinene", + "(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane" + ] + }, + { + "compound_id": "C06308", + "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1", + "name": "(-)-alpha-Pinene", + "names": [ + "(-)-alpha-Pinene", + "(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene" + ] + }, + { + "compound_id": "C06309", + "inchi": "InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21?,22-,23+,24+,27-,28-,29+,30+/m0/s1", + "name": "Diplopterol", + "names": [ + "22-Hopanol", + "Diplopterol", + "Hopan-22-ol" + ] + }, + { + "compound_id": "C06310", + "inchi": "InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1", + "name": "Diploptene", + "names": [ + "22(29)-Hopene", + "Diploptene", + "Hop-22(29)-ene" + ] + }, + { + "compound_id": "C06311", + "inchi": "InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6-/m1/s1", + "name": "Galactitol 1-phosphate", + "names": [ + "D-Galactitol 1-phosphate", + "Galactitol 1-phosphate", + "L-Galactitol 6-phosphate" + ] + }, + { + "compound_id": "C06312", + "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6?/m0/s1", + "name": "L-Tagatose 6-phosphate", + "names": [ + "L-Tagatose 6-phosphate" + ] + }, + { + "compound_id": "C06313", + "inchi": "InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)", + "name": "Biopterin", + "names": [ + "2-Amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone", + "Biopterin" + ] + }, + { + "compound_id": "C06314", + "inchi": "InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1", + "name": "Lipoxin A4", + "names": [ + "(7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13-tetraenoic acid", + "5S,6R,15S-Trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid", + "LXA4", + "Lipoxin A4" + ] + }, + { + "compound_id": "C06315", + "inchi": "InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1", + "name": "Lipoxin B4", + "names": [ + "(6E,8Z,10E,12E)-(5S,14R,15S)-Trihydroxyicosa-6,8,10,12-tetraenoic acid", + "5S,14R,15S-Trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid", + "LXB4", + "Lipoxin B4" + ] + }, + { + "compound_id": "C06316", + "inchi": "InChI=1S/C5H6O5/c6-1-2-3(7)4(8)5(9)10-2/h2,6-8H,1H2/t2-/m1/s1", + "name": "Dehydro-D-arabinono-1,4-lactone", + "names": [ + "(5R)-3,4-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one", + "Dehydro-D-arabinono-1,4-lactone" + ] + }, + { + "compound_id": "C06317", + "inchi": "InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3", + "name": "Vanillyl alcohol", + "names": [ + "4-Hydroxy-3-methoxy-benzenemethanol", + "4-Hydroxy-3-methoxybenzenemethanol", + "4-Hydroxy-3-methoxybenzyl alcohol", + "Vanillyl alcohol" + ] + }, + { + "compound_id": "C06318", + "inchi": "InChI=1S/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)/t5-,8+/m0/s1", + "name": "(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate", + "names": [ + "(1R,6S)-Dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate", + "(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate", + "Terephthalate-1,2-cis-dihydrodiol", + "cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate" + ] + }, + { + "compound_id": "C06319", + "inchi": "InChI=1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,25,39,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,25+,39?,40-,41+,42+,43+,44+/m1/s1", + "name": "Precorrin 6Y", + "names": [ + "Precorrin 6B", + "Precorrin 6Y" + ] + }, + { + "compound_id": "C06320", + "inchi": "InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1", + "name": "Precorrin 6X", + "names": [ + "Precorrin 6A", + "Precorrin 6X" + ] + }, + { + "compound_id": "C06321", + "inchi": "InChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)/t5-,7+/m0/s1", + "name": "(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate", + "names": [ + "(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate", + "cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate", + "cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid" + ] + }, + { + "compound_id": "C06322", + "inchi": "InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4,6-7,14-15,17,20-22,26,37-38H,3,5,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", + "name": "S-1,5-Cyclohexadiene-1-carboxylate coenzymeA", + "names": [ + "Cyclohexa-1,5-diene-1-carbonyl-CoA", + "Cyclohexa-1,5-dienecarbonyl-CoA", + "S-1,5-Cyclohexadiene-1-carboxylate coenzymeA", + "cyclohexa-1,5-diene-1-carboxyl-coa" + ] + }, + { + "compound_id": "C06323", + "inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H", + "name": "Isoquinoline", + "names": [ + "2-Benzazine", + "Benzo[c]pyridine", + "Isoquinoline" + ] + }, + { + "compound_id": "C06324", + "inchi": "InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)", + "name": "Isocarbostyril", + "names": [ + "1(2H)-Isoquinolinone", + "Isocarbostyril", + "Isoquinolin-1(2H)-one" + ] + }, + { + "compound_id": "C06325", + "inchi": "InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)", + "name": "2-Quinolinecarboxylic acid", + "names": [ + "2-Quinolinecarboxylate", + "2-Quinolinecarboxylic acid", + "Quinaldate", + "Quinaldic acid", + "Quinaldinic acid" + ] + }, + { + "compound_id": "C06326", + "inchi": "InChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1", + "name": "(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate", + "names": [ + "(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate" + ] + }, + { + "compound_id": "C06327", + "inchi": "InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1", + "name": "Chelirubine", + "names": [ + "Chelirubine" + ] + }, + { + "compound_id": "C06328", + "inchi": "InChI=1S/C6H5ClO3/c7-4-1-3(8)2-5(9)6(4)10/h1-2,8-10H", + "name": "6-Chlorobenzene-1,2,4-triol", + "names": [ + "6-Chlorobenzene-1,2,4-triol", + "6-Chlorohydroxyquinol" + ] + }, + { + "compound_id": "C06329", + "inchi": "InChI=1S/C6H5ClO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/b4-1+", + "name": "2-Chloromaleylacetate", + "names": [ + "2-Chloromaleylacetate" + ] + }, + { + "compound_id": "C06330", + "inchi": "InChI=1S/C9H7NO2/c11-8-5-10-7-4-2-1-3-6(7)9(8)12/h1-5,11H,(H,10,12)", + "name": "Quinoline-3,4-diol", + "names": [ + "3,4-Dihydroxyquinoline", + "Quinoline-3,4-diol" + ] + }, + { + "compound_id": "C06331", + "inchi": "InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)", + "name": "2-Methylquinoline-3,4-diol", + "names": [ + "2-Methylquinoline-3,4-diol" + ] + }, + { + "compound_id": "C06332", + "inchi": "InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)", + "name": "N-Acetylanthranilate", + "names": [ + "2-(Acetylamino)-benzoic acid", + "N-Acetylanthranilate", + "N-Acetylanthranilic acid" + ] + }, + { + "compound_id": "C06333", + "inchi": "InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)", + "name": "2-Aminobenzenesulfonate", + "names": [ + "2-Aminobenzenesulfonate", + "2-Aminobenzenesulfonic acid", + "Orthanilic acid", + "o-Aminobenzenesulfonic acid" + ] + }, + { + "compound_id": "C06334", + "inchi": "InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)", + "name": "Metanilic acid", + "names": [ + "3-Aminobenzenesulfonate", + "3-Aminobenzenesulfonic acid", + "Metanilic acid", + "m-Aminobenzenesulfonic acid" + ] + }, + { + "compound_id": "C06335", + "inchi": "InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)", + "name": "4-Aminobenzenesulfonate", + "names": [ + "4-Aminobenzenesulfonate", + "4-Aminobenzenesulfonic acid", + "Sulfanilic acid", + "p-Aminobenzenesulfonic acid" + ] + }, + { + "compound_id": "C06336", + "inchi": "InChI=1S/C6H6O5S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)", + "name": "3-Sulfocatechol", + "names": [ + "2,3-Dihydroxybenzenesulfonate", + "3-Sulfocatechol" + ] + }, + { + "compound_id": "C06337", + "inchi": "InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)", + "name": "Terephthalate", + "names": [ + "1,4-Benzenedicarboxylic acid", + "Terephthalate", + "Terephthalic acid" + ] + }, + { + "compound_id": "C06338", + "inchi": "InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)", + "name": "Quinolin-2-ol", + "names": [ + "2-Hydroxyquinoline", + "2-Quinolinol", + "2-Quinolone", + "Quinolin-2-ol" + ] + }, + { + "compound_id": "C06339", + "inchi": "InChI=1S/C9H9NO3/c11-7-3-2-6-5(9(7)13)1-4-8(12)10-6/h1-4,7,9,11,13H,(H,10,12)", + "name": "2,5,6-Trihydroxy-5,6-dihydroquinoline", + "names": [ + "2,5,6-Trihydroxy-5,6-dihydroquinoline" + ] + }, + { + "compound_id": "C06341", + "inchi": "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "7alpha,27-Dihydroxycholesterol", + "names": [ + "7alpha,27-Dihydroxycholesterol", + "Cholest-5-ene-3beta,7alpha,26-triol", + "Cholest-5-ene-3beta,7alpha,27-triol" + ] + }, + { + "compound_id": "C06342", + "inchi": "InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)", + "name": "Quinolin-2,8-diol", + "names": [ + "Quinolin-2,8-diol" + ] + }, + { + "compound_id": "C06343", + "inchi": "InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)", + "name": "4-Hydroxyquinoline", + "names": [ + "4-Hydroxyquinoline", + "Quinolin-4-ol" + ] + }, + { + "compound_id": "C06344", + "inchi": "InChI=1S/C10H9NO2/c1-6-5-7-3-2-4-8(12)9(7)11-10(6)13/h2-5,12H,1H3,(H,11,13)", + "name": "3-Methyl-quinolin-2,8-diol", + "names": [ + "3-Methyl-quinolin-2,8-diol" + ] + }, + { + "compound_id": "C06345", + "inchi": "InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)", + "name": "3-Methyl-quinolin-2-ol", + "names": [ + "3-Methyl-quinolin-2-ol" + ] + }, + { + "compound_id": "C06346", + "inchi": "InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2", + "name": "(R,S)-Norcoclaurine", + "names": [ + "(R,S)-Norcoclaurine", + "6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline", + "Higenamine", + "Norcoclaurine" + ] + }, + { + "compound_id": "C06347", + "inchi": "InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1", + "name": "(R)-Norcoclaurine", + "names": [ + "(+)-Demethylcoclaurine", + "(R)-Norcoclaurine", + "6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline" + ] + }, + { + "compound_id": "C06348", + "inchi": "InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3", + "name": "(R,S)-Coclaurine", + "names": [ + "(R,S)-Coclaurine", + "6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline", + "Coclaurine" + ] + }, + { + "compound_id": "C06349", + "inchi": "InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m1/s1", + "name": "(R)-Coclaurine", + "names": [ + "(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol", + "(R)-Coclaurine", + "6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline", + "Machiline" + ] + }, + { + "compound_id": "C06350", + "inchi": "InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2", + "name": "Tetrahydropapaveroline", + "names": [ + "(R,S)-Norlaudanosoline", + "Norlaudanosoline", + "Tetrahydropapaveroline" + ] + }, + { + "compound_id": "C06351", + "inchi": "InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1", + "name": "(R)-Norlaudanosoline", + "names": [ + "(R)-Norlaudanosoline", + "(R)-Tetrahydropapaveroline" + ] + }, + { + "compound_id": "C06352", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m0/s1", + "name": "4-O-Methyl-myo-inositol", + "names": [ + "1D-4-O-Methyl-myo-inositol", + "4-O-Methyl-myo-inositol" + ] + }, + { + "compound_id": "C06353", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6-,7-/m1/s1", + "name": "6-O-Methyl-myo-inositol", + "names": [ + "1D-6-O-Methyl-myo-inositol", + "6-O-Methyl-myo-inositol" + ] + }, + { + "compound_id": "C06354", + "inchi": "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H", + "name": "Benzophenone", + "names": [ + "Benzophenone", + "Diphenyl ketone" + ] + }, + { + "compound_id": "C06355", + "inchi": "InChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H", + "name": "2,3',4,6-Tetrahydroxybenzophenone", + "names": [ + "2,3',4,6-Tetrahydroxybenzophenone" + ] + }, + { + "compound_id": "C06356", + "inchi": "InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H", + "name": "2,4,6-Trihydroxybenzophenone", + "names": [ + "2,4,6-Trihydroxybenzophenone", + "Phenyl(2,4,6-trihydroxyphenyl)-methanone" + ] + }, + { + "compound_id": "C06357", + "inchi": null, + "name": "Alkyl cinnamate", + "names": [ + "Alkyl cinnamate" + ] + }, + { + "compound_id": "C06358", + "inchi": "InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+", + "name": "Methyl cinnamate", + "names": [ + "3-Phenyl-2-propenoic acid methyl", + "Methyl cinnamate" + ] + }, + { + "compound_id": "C06359", + "inchi": "InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+", + "name": "Ethyl cinnamate", + "names": [ + "3-Phenylpropenoic acid ethyl", + "Ethyl cinnamate" + ] + }, + { + "compound_id": "C06360", + "inchi": "InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+", + "name": "Propyl cinnamate", + "names": [ + "3-Phenylpropenoic acid propyl ester", + "Propyl cinnamate" + ] + }, + { + "compound_id": "C06361", + "inchi": null, + "name": "Anthocyanidin-3,5-diglucoside", + "names": [ + "Anthocyanidin-3,5-diglucoside" + ] + }, + { + "compound_id": "C06362", + "inchi": null, + "name": "Hydroxycinnamoyl-CoA", + "names": [ + "Hydroxycinnamoyl-CoA" + ] + }, + { + "compound_id": "C06363", + "inchi": null, + "name": "Anthocyanidin 3-glucoside-5-hydroxycinnamoylglucoside", + "names": [ + "Anthocyanidin 3-glucoside-5-hydroxycinnamoylglucoside" + ] + }, + { + "compound_id": "C06364", + "inchi": null, + "name": "1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol", + "names": [ + "1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol" + ] + }, + { + "compound_id": "C06365", + "inchi": null, + "name": "Glc-alpha1->2Glc-alpha1->3acyl2Gro", + "names": [ + "1,2-Diacyl-3-O-[alpha-D-glucopyranosyl-(1->2)-O-alpha-D-glucopyranosyl]-sn-glycerol", + "Glc-alpha1->2Glc-alpha1->3acyl2Gro", + "Glcalpha1->2Glcalpha1->3acyl2Gro" + ] + }, + { + "compound_id": "C06366", + "inchi": "InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2", + "name": "sym-Homospermidine", + "names": [ + "Homospermidine", + "sym-Homospermidine" + ] + }, + { + "compound_id": "C06367", + "inchi": "InChI=1S/C4H5O7P/c1-2(3(5)6)11-12(9,10)4(7)8/h1H2,(H,5,6)(H,7,8)(H,9,10)", + "name": "1-Carboxyvinyl carboxyphosphonate", + "names": [ + "1-Carboxyvinyl carboxyphosphonate", + "Carboxyphosphonoenolpyruvate" + ] + }, + { + "compound_id": "C06368", + "inchi": "InChI=1S/C3H5O5P/c4-2(3(5)6)1-9(7)8/h9H,1H2,(H,5,6)(H,7,8)", + "name": "3-(Hydrohydroxyphosphoryl)pyruvate", + "names": [ + "(Hydroxyphosphinyl)pyruvate", + "3-(Hydrohydroxyphosphoryl)pyruvate" + ] + }, + { + "compound_id": "C06369", + "inchi": "InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1", + "name": "2-Deoxy-D-glucose 6-phosphate", + "names": [ + "2-Deoxy-D-glucose 6-phosphate" + ] + }, + { + "compound_id": "C06370", + "inchi": null, + "name": "alpha-D-Glucuronoside", + "names": [ + "alpha-D-Glucuronoside" + ] + }, + { + "compound_id": "C06371", + "inchi": "InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20?,21-,22+,23?,24+,25+,26?/m1/s1", + "name": "Lacto-N-tetraose", + "names": [ + "Lacto-N-tetraose", + "beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc" + ] + }, + { + "compound_id": "C06372", + "inchi": "InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1", + "name": "Lacto-N-biose", + "names": [ + "Lacto-N-biose", + "beta-D-Gal-(1->3)-D-GlcNAc", + "beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-glucosamine" + ] + }, + { + "compound_id": "C06374", + "inchi": null, + "name": "Phthalylamide", + "names": [ + "Phthalyl (N substituted) amide", + "Phthalylamide" + ] + }, + { + "compound_id": "C06376", + "inchi": "InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6+,7-,8?/m1/s1", + "name": "N-Acetyl-D-galactosamine 6-phosphate", + "names": [ + "N-Acetyl-D-galactosamine 6-phosphate" + ] + }, + { + "compound_id": "C06377", + "inchi": "InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1", + "name": "D-Galactosamine 6-phosphate", + "names": [ + "D-Galactosamine 6-phosphate" + ] + }, + { + "compound_id": "C06378", + "inchi": null, + "name": "N-Acyl-D-amino acid", + "names": [ + "N-Acyl-D-amino acid" + ] + }, + { + "compound_id": "C06379", + "inchi": null, + "name": "N-Acyl-D-glutamate", + "names": [ + "N-Acyl-D-glutamate" + ] + }, + { + "compound_id": "C06380", + "inchi": null, + "name": "N-Acyl-D-aspartate", + "names": [ + "N-Acyl-D-aspartate" + ] + }, + { + "compound_id": "C06381", + "inchi": "InChI=1S/C3H8N4O2/c4-2(8)6-1-7-3(5)9/h1H2,(H3,4,6,8)(H3,5,7,9)", + "name": "Methylenediurea", + "names": [ + "Methylenediurea" + ] + }, + { + "compound_id": "C06382", + "inchi": "InChI=1S/C3H7N3O3/c4-2(7)5-1-6-3(8)9/h6H,1H2,(H,8,9)(H3,4,5,7)", + "name": "N-(Carboxyaminomethyl)urea", + "names": [ + "N-(Carboxyaminomethyl)urea" + ] + }, + { + "compound_id": "C06383", + "inchi": "InChI=1S/C2H7N3O/c3-1-5-2(4)6/h1,3H2,(H3,4,5,6)", + "name": "N-(Aminomethyl)urea", + "names": [ + "N-(Aminomethyl)urea" + ] + }, + { + "compound_id": "C06384", + "inchi": "InChI=1S/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)", + "name": "N-(Hydroxymethyl)urea", + "names": [ + "N-(Hydroxymethyl)urea" + ] + }, + { + "compound_id": "C06385", + "inchi": "InChI=1S/C5H12N6O3/c6-3(12)8-1-10-5(14)11-2-9-4(7)13/h1-2H2,(H3,6,8,12)(H3,7,9,13)(H2,10,11,14)", + "name": "Dimethylenetriurea", + "names": [ + "Dimethylenetriurea" + ] + }, + { + "compound_id": "C06386", + "inchi": "InChI=1S/C7H16N8O4/c8-4(16)10-1-12-6(18)14-3-15-7(19)13-2-11-5(9)17/h1-3H2,(H3,8,10,16)(H3,9,11,17)(H2,12,14,18)(H2,13,15,19)", + "name": "Trimethylenetetraurea", + "names": [ + "Trimethylenetetraurea" + ] + }, + { + "compound_id": "C06387", + "inchi": "InChI=1S/C28H39ClN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "4-Chlorobenzoyl-CoA", + "names": [ + "4-Chlorobenzoyl-CoA" + ] + }, + { + "compound_id": "C06388", + "inchi": null, + "name": "2-Aryl-2-methylmalonate", + "names": [ + "2-Aryl-2-methylmalonate" + ] + }, + { + "compound_id": "C06389", + "inchi": null, + "name": "2-Arylpropionate", + "names": [ + "2-Arylpropionate" + ] + }, + { + "compound_id": "C06390", + "inchi": "InChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17?,18+,19-,20-,21-/m0/s1", + "name": "16-alpha-Hydroxypregnenolone", + "names": [ + "16-alpha-Hydroxypregnenolone", + "16alpha-Hydroxypregnenolone" + ] + }, + { + "compound_id": "C06391", + "inchi": "InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1", + "name": "Algestone", + "names": [ + "Algestone" + ] + }, + { + "compound_id": "C06392", + "inchi": "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18?,19-,20-,21+/m0/s1", + "name": "16,17-Didehydropregnenolone", + "names": [ + "16,17-Didehydropregnenolone" + ] + }, + { + "compound_id": "C06393", + "inchi": "InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)", + "name": "2,3-Diaminopropanoate", + "names": [ + "2,3-Diaminopropanoate", + "2,3-Diaminopropanoic acid", + "2,3-Diaminopropionate", + "2,3-Diaminopropionic acid" + ] + }, + { + "compound_id": "C06394", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1", + "name": "delta-Cadinene", + "names": [ + "(+)-delta-Cadinene", + "delta-Cadinene" + ] + }, + { + "compound_id": "C06395", + "inchi": null, + "name": "[Protein]-L-serine", + "names": [ + "[Protein]-L-serine" + ] + }, + { + "compound_id": "C06396", + "inchi": null, + "name": "[Protein]-D-serine", + "names": [ + "[Protein]-D-serine" + ] + }, + { + "compound_id": "C06397", + "inchi": "InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17?/m1/s1", + "name": "ADP-D-glycero-D-manno-heptose", + "names": [ + "ADP-D-glycero-D-manno-heptose" + ] + }, + { + "compound_id": "C06398", + "inchi": "InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6+,8+,9-,10-,11+,12-,13+,16+,17?/m0/s1", + "name": "ADP-L-glycero-D-manno-heptose", + "names": [ + "ADP-L-glycero-D-manno-heptose" + ] + }, + { + "compound_id": "C06399", + "inchi": "InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40?,42-,43+,44+,45+/m1/s1", + "name": "Hydrogenobyrinate", + "names": [ + "Hydrogenobyrinate", + "Hydrogenobyrinic acid" + ] + }, + { + "compound_id": "C06400", + "inchi": "InChI=1S/C18H32O16/c19-1-4-7(22)9(24)12(27)16(30-4)33-15-6(3-21)32-18(14(29)11(15)26)34-17-13(28)10(25)8(23)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13-,14-,15-,16-,17-,18-/m1/s1", + "name": "1-alpha-D-{(1,4)-alpha-D-Glucosyl}(n-1)-alpha-D-glucopyranoside", + "names": [ + "1-alpha-D-{(1,4)-alpha-D-Glucosyl}(n-1)-alpha-D-glucopyranoside", + "4-alpha-D-(1,4-alpha-D-Glucanosyl)n trehalose" + ] + }, + { + "compound_id": "C06403", + "inchi": null, + "name": "[Ribulose-1,5-bisphosphate-carboxylase]-lysine", + "names": [ + "[Ribulose-1,5-bisphosphate-carboxylase]-lysine" + ] + }, + { + "compound_id": "C06404", + "inchi": null, + "name": "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine", + "names": [ + "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine" + ] + }, + { + "compound_id": "C06406", + "inchi": "InChI=1S/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11-34(54)55)29(47-43)16-30(40)45-28/h15-16,23-24,44,46-47,63H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b28-15-,29-16-/t23-,24-,40+,41+,42+,43-/m1/s1", + "name": "Precorrin 3B", + "names": [ + "Precorrin 3B" + ] + }, + { + "compound_id": "C06407", + "inchi": "InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b29-17-/t24-,41-,42+,43+,44?/m1/s1", + "name": "Precorrin 4", + "names": [ + "Precorrin 4" + ] + }, + { + "compound_id": "C06408", + "inchi": "InChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b39-22-/t21-,25+,26+,27-,40?,41+,42-,43-,44-,45-/m0/s1", + "name": "Precorrin 8X", + "names": [ + "Precorrin 8", + "Precorrin 8X" + ] + }, + { + "compound_id": "C06409", + "inchi": null, + "name": "[Methionine synthase]-cob(II)alamin", + "names": [ + "[Methionine synthase]-cob(II)alamin" + ] + }, + { + "compound_id": "C06410", + "inchi": null, + "name": "[Methionine synthase]-methylcob(I)alamin", + "names": [ + "[Methionine synthase]-methylcob(I)alamin" + ] + }, + { + "compound_id": "C06412", + "inchi": null, + "name": "Palmitoyl-protein", + "names": [ + "Palmitoyl-protein" + ] + }, + { + "compound_id": "C06413", + "inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H", + "name": "Quinoline", + "names": [ + "Benzo[b]pyridine", + "Quinoline" + ] + }, + { + "compound_id": "C06414", + "inchi": "InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)", + "name": "4-Quinolinecarboxylic acid", + "names": [ + "4-Quinolinecarboxylic acid", + "Cinchonic acid", + "Quinoline-4-carboxylate", + "Quinoline-4-carboxylic acid" + ] + }, + { + "compound_id": "C06415", + "inchi": "InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)", + "name": "2(1H)-Quinolinone", + "names": [ + "2(1H)-Quinolinone", + "Quinolin-2(1H)-one" + ] + }, + { + "compound_id": "C06416", + "inchi": "InChI=1/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/b28-17-/t24-,41-,42+,43+,44+,45?/m1/s1/f/h51,53,55,57,59,61,63,65H", + "name": "Precorrin 5", + "names": [ + "Precorrin 5" + ] + }, + { + "compound_id": "C06417", + "inchi": "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1", + "name": "D-Valine", + "names": [ + "(R)-2-Amino-3-methylbutyric acid", + "D-Valine" + ] + }, + { + "compound_id": "C06418", + "inchi": "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1", + "name": "D-Isoleucine", + "names": [ + "(2R,3R)-2-Amino-3-methylvaleric acid", + "D-Isoleucine" + ] + }, + { + "compound_id": "C06419", + "inchi": "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1", + "name": "D-Histidine", + "names": [ + "(R)-alpha-Amino-1H-imidazole-4-propionic acid", + "D-Histidine" + ] + }, + { + "compound_id": "C06420", + "inchi": "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1", + "name": "D-Tyrosine", + "names": [ + "(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid", + "(R)-3-(p-Hydroxyphenyl)alanine", + "D-Tyrosine" + ] + }, + { + "compound_id": "C06421", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,11+,12?/m1/s1", + "name": "alpha-Cellobiose", + "names": [ + "1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose", + "alpha-Cellobiose" + ] + }, + { + "compound_id": "C06422", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10?,11-,12?/m1/s1", + "name": "beta-Cellobiose", + "names": [ + "1-beta-D-Glucopyranosyl-4-beta-D-glucopyranose", + "beta-Cellobiose" + ] + }, + { + "compound_id": "C06423", + "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)", + "name": "Octanoic acid", + "names": [ + "Caprylic acid", + "Octanoic acid", + "Octylic acid", + "n-Octanoic acid", + "n-octanoic acid" + ] + }, + { + "compound_id": "C06424", + "inchi": "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)", + "name": "Tetradecanoic acid", + "names": [ + "Myristic acid", + "Tetradecanoate", + "Tetradecanoic acid" + ] + }, + { + "compound_id": "C06425", + "inchi": "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)", + "name": "Icosanoic acid", + "names": [ + "Arachidic acid", + "Eicosanoic acid", + "Icosanoic acid" + ] + }, + { + "compound_id": "C06426", + "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-", + "name": "(6Z,9Z,12Z)-Octadecatrienoic acid", + "names": [ + "(6Z,9Z,12Z)-Octadecatrienoic acid", + "6,9,12-Octadecatrienoic acid", + "Gamolenic acid", + "gamma-Linolenic acid" + ] + }, + { + "compound_id": "C06427", + "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-", + "name": "(9Z,12Z,15Z)-Octadecatrienoic acid", + "names": [ + "(9Z,12Z,15Z)-Octadecatrienoic acid", + "9,12,15-Octadecatrienoic acid", + "Linolenate", + "alpha-Linolenate", + "alpha-Linolenic acid" + ] + }, + { + "compound_id": "C06428", + "inchi": "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-", + "name": "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid", + "names": [ + "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate", + "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid", + "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid", + "5,8,11,14,17-Icosapentaenoic acid", + "Eicosapentaenoic acid" + ] + }, + { + "compound_id": "C06429", + "inchi": "InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-", + "name": "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid", + "names": [ + "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid", + "4,7,10,13,16,19-Docosahexaenoic acid", + "Docosahexaenoic acid" + ] + }, + { + "compound_id": "C06430", + "inchi": "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3-,4-,5+/m0/s1", + "name": "D-Galacturonolactone", + "names": [ + "D-Galacturonolactone", + "D-gamma-Galacturonolactone" + ] + }, + { + "compound_id": "C06432", + "inchi": "InChI=1S/C37H60N8O25P2/c1-15(30(53)43-20(35(58)59)8-9-23(48)42-19(7-5-6-11-38)32(55)40-16(2)34(56)57)39-31(54)17(3)66-29-25(41-18(4)47)36(68-21(13-46)27(29)51)69-72(63,64)70-71(61,62)65-14-22-26(50)28(52)33(67-22)45-12-10-24(49)44-37(45)60/h10,12,15-17,19-22,25-29,33,36,46,50-52H,5-9,11,13-14,38H2,1-4H3,(H,39,54)(H,40,55)(H,41,47)(H,42,48)(H,43,53)(H,56,57)(H,58,59)(H,61,62)(H,63,64)(H,44,49,60)/t15-,16+,17+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,36+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanine", + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine" + ] + }, + { + "compound_id": "C06433", + "inchi": "InChI=1S/C17H18N5O8P/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(24)12(23)10(29-16)6-28-31(26,27)30-17(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,26,27)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1", + "name": "5'-Benzoylphosphoadenosine", + "names": [ + "5'-Benzoylphosphoadenosine" + ] + }, + { + "compound_id": "C06435", + "inchi": "InChI=1S/C14H19N4O9P/c1-2-3-8(19)27-28(23,24)25-4-7-10(20)11(21)14(26-7)18-6-17-9-12(18)15-5-16-13(9)22/h5-7,10-11,14,20-21H,2-4H2,1H3,(H,23,24)(H,15,16,22)/t7-,10-,11-,14-/m1/s1", + "name": "5'-Butyrylphosphoinosine", + "names": [ + "5'-Butyrylphosphoinosine", + "Inosine 5'-phosphobutyrate" + ] + }, + { + "compound_id": "C06436", + "inchi": "InChI=1S/C13H19N2O10P/c1-2-3-9(17)25-26(21,22)23-6-7-10(18)11(19)12(24-7)15-5-4-8(16)14-13(15)20/h4-5,7,10-12,18-19H,2-3,6H2,1H3,(H,21,22)(H,14,16,20)/t7-,10-,11-,12-/m1/s1", + "name": "5'-Butyrylphosphouridine", + "names": [ + "5'-Butyrylphosphouridine" + ] + }, + { + "compound_id": "C06437", + "inchi": null, + "name": "1,3-Diacylglycerol", + "names": [ + "1,3-Diacylglycerol" + ] + }, + { + "compound_id": "C06438", + "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1", + "name": "Prostaglandin D1", + "names": [ + "Prostaglandin D1" + ] + }, + { + "compound_id": "C06439", + "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1", + "name": "Prostaglandin E3", + "names": [ + "Prostaglandin E3" + ] + }, + { + "compound_id": "C06440", + "inchi": "InChI=1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,7-9H,1H2/t2-,3-,4+/m1/s1", + "name": "2-Dehydro-D-glucono-1,5-lactone", + "names": [ + "2-Dehydro-D-glucono-1,5-lactone" + ] + }, + { + "compound_id": "C06441", + "inchi": "InChI=1S/C5H11O8P/c6-3-1-12-5(8,4(3)7)2-13-14(9,10)11/h3-4,6-8H,1-2H2,(H2,9,10,11)/t3-,4+,5?/m0/s1", + "name": "L-Xylulose 1-phosphate", + "names": [ + "L-Xylulose 1-phosphate" + ] + }, + { + "compound_id": "C06442", + "inchi": "InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1", + "name": "N-gamma-Acetyldiaminobutyrate", + "names": [ + "N-Acetyl-L-2,4-diaminobutanoate", + "N-Acetyl-L-2,4-diaminobutyrate", + "N-gamma-Acetyldiaminobutyrate" + ] + }, + { + "compound_id": "C06443", + "inchi": null, + "name": "Hydroxamate", + "names": [ + "Hydroxamate", + "Hydroxamic acid" + ] + }, + { + "compound_id": "C06446", + "inchi": "InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1", + "name": "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine", + "names": [ + "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine" + ] + }, + { + "compound_id": "C06447", + "inchi": "InChI=1S/C20H23N3O7/c21-18(28)13(23-20(30)12-6-4-9-15(25)17(12)27)7-1-2-10-22-19(29)11-5-3-8-14(24)16(11)26/h3-6,8-9,13,24-27H,1-2,7,10H2,(H2,21,28)(H,22,29)(H,23,30)/t13-/m0/s1", + "name": "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide", + "names": [ + "2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide" + ] + }, + { + "compound_id": "C06450", + "inchi": "InChI=1S/C27H29N3O9/c31-19-10-3-7-16(22(19)34)25(37)28-13-2-1-6-15(30-27(39)18-9-5-12-21(33)24(18)36)14-29-26(38)17-8-4-11-20(32)23(17)35/h3-5,7-12,15,31-36H,1-2,6,13-14H2,(H,28,37)(H,29,38)(H,30,39)/t15-/m0/s1", + "name": "Myxochelin C", + "names": [ + "Myxochelin C" + ] + }, + { + "compound_id": "C06451", + "inchi": "InChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)", + "name": "2-Hydroxyethylphosphonate", + "names": [ + "(2-Hydroxyethyl)-phosphonic acid", + "2-Hydroxyethylphosphonate" + ] + }, + { + "compound_id": "C06452", + "inchi": "InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)", + "name": "2-Hydroxypropylphosphonate", + "names": [ + "2-Hydroxypropylphosphonate" + ] + }, + { + "compound_id": "C06453", + "inchi": "InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", + "name": "Methylcobalamin", + "names": [ + "Methylcobalamin" + ] + }, + { + "compound_id": "C06454", + "inchi": "InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1", + "name": "Fosfomycin", + "names": [ + "Fosfomycin", + "Phosphonomycin" + ] + }, + { + "compound_id": "C06455", + "inchi": "InChI=1S/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)", + "name": "Hydroxymethylphosphonate", + "names": [ + "(methoxy)phosphonate", + "Hydroxymethylphosphonate", + "P-(Hydroxymethyl)-phosphonic acid" + ] + }, + { + "compound_id": "C06456", + "inchi": "InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)", + "name": "Phosphonoformate", + "names": [ + "Foscarmet", + "Foscarnet", + "Phosphonoformate" + ] + }, + { + "compound_id": "C06457", + "inchi": "InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1", + "name": "Bialaphos", + "names": [ + "2-Amino-4-(methylphosphino)butyrylalanylalanine", + "Bialaphos", + "Bilanafos", + "gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine", + "phosphinothricin tripeptide" + ] + }, + { + "compound_id": "C06459", + "inchi": "InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1", + "name": "N-Trimethyl-2-aminoethylphosphonate", + "names": [ + "2-Trimethylaminoethylphosphonate", + "N-Trimethyl-2-aminoethylphosphonate" + ] + }, + { + "compound_id": "C06461", + "inchi": null, + "name": "Hydroxyaldehyde", + "names": [ + "Hydroxyaldehyde" + ] + }, + { + "compound_id": "C06462", + "inchi": "InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1", + "name": "Leukotriene F4", + "names": [ + "LTF4", + "Leukotriene F4" + ] + }, + { + "compound_id": "C06463", + "inchi": "InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4?/m1/s1", + "name": "D-Threose", + "names": [ + "D-Threose", + "D-threo-Tetrose" + ] + }, + { + "compound_id": "C06464", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6?/m1/s1", + "name": "D-Altrose", + "names": [ + "D-Altrose", + "D-altro-Hexose" + ] + }, + { + "compound_id": "C06465", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m1/s1", + "name": "D-Gulose", + "names": [ + "D-Gulose", + "D-gulo-Hexose" + ] + }, + { + "compound_id": "C06466", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6?/m1/s1", + "name": "D-Idose", + "names": [ + "D-Idose", + "D-ido-Hexose" + ] + }, + { + "compound_id": "C06467", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6?/m1/s1", + "name": "D-Talose", + "names": [ + "D-Talose", + "D-talo-Hexose" + ] + }, + { + "compound_id": "C06468", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6?/m1/s1", + "name": "D-Psicose", + "names": [ + "D-Allulose", + "D-Altrulose", + "D-Pseudofructose", + "D-Psicose", + "D-erythro-Hexulose", + "D-ribo-2-Hexulose", + "D-ribo-2-Ketohexulose" + ] + }, + { + "compound_id": "C06469", + "inchi": "InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4?,5+,6-,7+,9?/m0/s1", + "name": "Neuraminic acid", + "names": [ + "5-Amino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid", + "Neuraminic acid" + ] + }, + { + "compound_id": "C06470", + "inchi": "InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3?,4-,5-,6-,7-,9?/m1/s1", + "name": "Muramic acid", + "names": [ + "2-Amino-3-O-D-1-carboxyethyl-2-deoxy-D-glucose", + "3-O-alpha-Carboxyethyl-D-glucosamine", + "Muramic acid" + ] + }, + { + "compound_id": "C06471", + "inchi": "InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1", + "name": "Abequose", + "names": [ + "3,6-Deoxy-D-galactose", + "3,6-Deoxy-D-xylo-hexose", + "3-Deoxy-D-fucose", + "Abequose" + ] + }, + { + "compound_id": "C06472", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6?/m0/s1", + "name": "L-Iduronic acid", + "names": [ + "L-Iduronic acid" + ] + }, + { + "compound_id": "C06473", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1", + "name": "2-Keto-D-gluconic acid", + "names": [ + "2-Dehydro-D-gluconate", + "2-Dehydro-D-gluconic acid", + "2-Keto-D-gluconic acid", + "2-oxo-d-gluconate", + "alpha-D-arabino-2-Hexulosonic acid" + ] + }, + { + "compound_id": "C06474", + "inchi": "InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5-,6+/m0/s1", + "name": "3,6-Anhydrogalactose", + "names": [ + "3,6-Anhydro-D-galactose", + "3,6-Anhydrogalactose" + ] + }, + { + "compound_id": "C06475", + "inchi": "InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1", + "name": "Prostaglandin F1alpha", + "names": [ + "(13E,15S)-9alpha,11alpha-9,11,15-Trihydroxyprost-13-en-1-oic acid", + "Prostaglandin F1alpha" + ] + }, + { + "compound_id": "C06476", + "inchi": "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1", + "name": "Prostaglandin F3alpha", + "names": [ + "Prostaglandin F3alpha" + ] + }, + { + "compound_id": "C06477", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4+,6?/m0/s1", + "name": "L-Guluronic acid", + "names": [ + "L-Guluronic acid" + ] + }, + { + "compound_id": "C06478", + "inchi": "InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5+,6+/m0/s1", + "name": "3,6-Anhydroglucose", + "names": [ + "3,6-Anhydro-D-glucose", + "3,6-Anhydroglucose" + ] + }, + { + "compound_id": "C06479", + "inchi": null, + "name": "Ketosteroid", + "names": [ + "Ketosteroid" + ] + }, + { + "compound_id": "C06481", + "inchi": null, + "name": "L-Seryl-tRNA(Sec)", + "names": [ + "L-Seryl-tRNA(Sec)" + ] + }, + { + "compound_id": "C06482", + "inchi": null, + "name": "L-Selenocysteinyl-tRNA(Sec)", + "names": [ + "L-Selenocysteinyl-tRNA(Sec)" + ] + }, + { + "compound_id": "C06483", + "inchi": null, + "name": "N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside", + "names": [ + "Glycoprotein-N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactose", + "N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside" + ] + }, + { + "compound_id": "C06484", + "inchi": "InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4+", + "name": "4,5-cis-Dihydroxy-1,2-dithiacyclohexane", + "names": [ + "4,5-cis-Dihydroxy-1,2-dithiacyclohexane", + "Oxidized dithioerythritol" + ] + }, + { + "compound_id": "C06485", + "inchi": "InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1", + "name": "1,5-Anhydro-D-fructose", + "names": [ + "1,5-Anhydro-D-fructose" + ] + }, + { + "compound_id": "C06488", + "inchi": "InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,44,50)(H,45,51)/t33-,34-,35+,36+/m1/s1", + "name": "XV638", + "names": [ + "XV638", + "[4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolylbenzamide]" + ] + }, + { + "compound_id": "C06489", + "inchi": "InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3", + "name": "Compound VII", + "names": [ + "5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole", + "Compound VII" + ] + }, + { + "compound_id": "C06490", + "inchi": "InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3", + "name": "WIN VI", + "names": [ + "5-(5-(4-(4,5-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole", + "WIN 52035", + "WIN VI" + ] + }, + { + "compound_id": "C06491", + "inchi": "InChI=1S/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2", + "name": "Compound WIN VIII", + "names": [ + "5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyloxymethyleneoxymethyl)isoxazole", + "Compound WIN VIII" + ] + }, + { + "compound_id": "C06492", + "inchi": "InChI=1S/C21H27ClN2O3/c1-15-12-18(27-24-15)8-6-4-3-5-7-11-25-20-10-9-17(13-19(20)22)21-23-16(2)14-26-21/h9-10,12-13,16H,3-8,11,14H2,1-2H3", + "name": "Compound II(R/S)", + "names": [ + "5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", + "Compound II(R/S)" + ] + }, + { + "compound_id": "C06493", + "inchi": "InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3", + "name": "WIN54954", + "names": [ + "5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole", + "WIN54954" + ] + }, + { + "compound_id": "C06494", + "inchi": "InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3", + "name": "Compound V(S)", + "names": [ + "5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole", + "Compound V(S)" + ] + }, + { + "compound_id": "C06495", + "inchi": "InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3", + "name": "Compound III(S)", + "names": [ + "5-(7-(5-Hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", + "Compound III(S)" + ] + }, + { + "compound_id": "C06496", + "inchi": "InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3", + "name": "Compound IV", + "names": [ + "5-(7-(4-(4,5-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", + "Compound IV", + "Disoxaril" + ] + }, + { + "compound_id": "C06497", + "inchi": "InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3", + "name": "WIN I(S)", + "names": [ + "5-(7-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole", + "WIN 52084 (S)", + "WIN I(S)" + ] + }, + { + "compound_id": "C06499", + "inchi": "InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3", + "name": "WIN56291", + "names": [ + "5-(3-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole", + "WIN56291" + ] + }, + { + "compound_id": "C06500", + "inchi": "InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1", + "name": "5'-Guanylylmethylenebisphosphonate", + "names": [ + "5'-Guanosyl-methylene-triphosphate", + "5'-Guanylylmethylenebisphosphonate" + ] + }, + { + "compound_id": "C06501", + "inchi": "InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1", + "name": "Phosphotyrosine", + "names": [ + "Phosphonotyrosine", + "Phosphotyrosine" + ] + }, + { + "compound_id": "C06502", + "inchi": "InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)", + "name": "4,6-Diamino-5-formamidopyrimidine", + "names": [ + "4,6-Diamino-5-N-formamidopyrimidine", + "4,6-Diamino-5-formamidopyrimidine" + ] + }, + { + "compound_id": "C06503", + "inchi": "InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,50H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,38-21-,39-22-/t23-,24-,25-,26+,40?,42-,43+,44+,45+/m1/s1", + "name": "Hydrogenobyrinate a,c diamide", + "names": [ + "Hydrogenobyrinate a,c diamide", + "Hydrogenobyrinate diamide", + "Hydrogenobyrinic acid a,c-diamide" + ] + }, + { + "compound_id": "C06504", + "inchi": "InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1", + "name": "Cob(II)yrinate a,c diamide", + "names": [ + "Cob(II)yrinate a,c diamide", + "Cob(II)yrinate diamide", + "Cob(II)yrinic acid a,c-diamide", + "Cobyrinate a,c-diamide", + "Cobyrinic acid a,c-diamide" + ] + }, + { + "compound_id": "C06505", + "inchi": "InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;/m1./s1", + "name": "Cob(I)yrinate a,c diamide", + "names": [ + "Cob(I)yrinate a,c diamide", + "Cob(I)yrinate diamide", + "Cob(I)yrinic acid a,c-diamide" + ] + }, + { + "compound_id": "C06506", + "inchi": "InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1", + "name": "Adenosyl cobyrinate a,c diamide", + "names": [ + "Adenosyl cobyrinate a,c diamide", + "Adenosyl cobyrinate diamide", + "Adenosylcob(III)yrinic acid a,c-diamide", + "Adenosylcobyrinic acid a,c-diamide" + ] + }, + { + "compound_id": "C06507", + "inchi": "InChI=1S/C45H66N10O8.C10H12N5O3.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40?,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1", + "name": "Adenosyl cobyrinate hexaamide", + "names": [ + "Adenosyl cobyrinate hexaamide", + "Adenosylcobyric acid" + ] + }, + { + "compound_id": "C06508", + "inchi": "InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1", + "name": "Adenosyl cobinamide", + "names": [ + "Adenosyl cobinamide" + ] + }, + { + "compound_id": "C06509", + "inchi": "InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1", + "name": "Adenosyl cobinamide phosphate", + "names": [ + "Adenosyl cobinamide phosphate" + ] + }, + { + "compound_id": "C06510", + "inchi": "InChI=1S/C58H86N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-25,28-31,33,45-46,49,52,82-83H,10-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t25-,28-,29-,30-,31+,33-,45-,46-,49?,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1", + "name": "Adenosine-GDP-cobinamide", + "names": [ + "Adenosine-GDP-cobinamide", + "Adenosylcobinamide-GDP" + ] + }, + { + "compound_id": "C06511", + "inchi": "InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1", + "name": "Guattegaumerine", + "names": [ + "Guattegaumerine" + ] + }, + { + "compound_id": "C06512", + "inchi": "InChI=1S/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-6-9-30(38)35(16-22)43-25-7-4-21(5-8-25)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m0/s1", + "name": "2'-Norberbamunine", + "names": [ + "2'-Norberbamunine" + ] + }, + { + "compound_id": "C06513", + "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1", + "name": "Obamegine", + "names": [ + "(+)-Obamegine", + "Obamegine", + "Stepholine" + ] + }, + { + "compound_id": "C06514", + "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(44-33)35(40)36(42-4)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m0/s1", + "name": "Aromoline", + "names": [ + "Aromoline" + ] + }, + { + "compound_id": "C06515", + "inchi": "InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3", + "name": "Magnoline", + "names": [ + "Magnoline" + ] + }, + { + "compound_id": "C06516", + "inchi": "InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m1/s1", + "name": "(R)-Norreticuline", + "names": [ + "(R)-Norreticuline", + "N-Norreticuline" + ] + }, + { + "compound_id": "C06517", + "inchi": "InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3/t13-/m0/s1", + "name": "(S)-6-O-Methylnorlaudanosoline", + "names": [ + "(S)-3'-Hydroxycoclaurine", + "(S)-6-O-Methylnorlaudanosoline" + ] + }, + { + "compound_id": "C06518", + "inchi": "InChI=1S/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1", + "name": "(S)-Nororientaline", + "names": [ + "(S)-Nororientaline" + ] + }, + { + "compound_id": "C06520", + "inchi": "InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3/t14-/m0/s1", + "name": "(S)-Norreticuline", + "names": [ + "(S)-Norreticuline" + ] + }, + { + "compound_id": "C06521", + "inchi": "InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3", + "name": "Cuscohygrine", + "names": [ + "Cuscohygrine", + "Cuskhygrine" + ] + }, + { + "compound_id": "C06522", + "inchi": "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1", + "name": "Strychnine", + "names": [ + "Strychnine" + ] + }, + { + "compound_id": "C06523", + "inchi": "InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1", + "name": "Coniine", + "names": [ + "(+)-Coniine", + "Coniine" + ] + }, + { + "compound_id": "C06524", + "inchi": "InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2", + "name": "Nornicotine", + "names": [ + "Nornicotine" + ] + }, + { + "compound_id": "C06525", + "inchi": "InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2", + "name": "Gentianine", + "names": [ + "Gentianine" + ] + }, + { + "compound_id": "C06526", + "inchi": "InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1", + "name": "Quinine", + "names": [ + "(-)-Quinine", + "Quinine" + ] + }, + { + "compound_id": "C06527", + "inchi": "InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1", + "name": "Quinidine", + "names": [ + "(+)-Quinidine", + "Quinidine" + ] + }, + { + "compound_id": "C06528", + "inchi": "InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18+,19-/m0/s1", + "name": "Cinchonine", + "names": [ + "(9S)-Cinchonan-9-ol", + "Cinchonine" + ] + }, + { + "compound_id": "C06530", + "inchi": "InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13?,18-,19+/m0/s1", + "name": "Cupreine", + "names": [ + "Cupreine" + ] + }, + { + "compound_id": "C06531", + "inchi": "InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,8,11,13H,4,6-7,9-10H2,1H3/t11-,13+,16+/m1/s1", + "name": "alpha-Erythroidine", + "names": [ + "alpha-Erythroidine" + ] + }, + { + "compound_id": "C06532", + "inchi": "InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3/t13-,16-/m0/s1", + "name": "beta-Erythroidine", + "names": [ + "beta-Erythroidine" + ] + }, + { + "compound_id": "C06533", + "inchi": "InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3", + "name": "Papaverine", + "names": [ + "Papaverine" + ] + }, + { + "compound_id": "C06534", + "inchi": "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1", + "name": "Heroin", + "names": [ + "Diacetylmorphine", + "Diamorphine", + "Heroin" + ] + }, + { + "compound_id": "C06535", + "inchi": "InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1", + "name": "Physostigmine", + "names": [ + "Eserine", + "Physostigmine" + ] + }, + { + "compound_id": "C06536", + "inchi": "InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3", + "name": "Harmaline", + "names": [ + "Harmaline" + ] + }, + { + "compound_id": "C06537", + "inchi": "InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3", + "name": "Harmalol", + "names": [ + "Harmalol" + ] + }, + { + "compound_id": "C06538", + "inchi": "InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3", + "name": "Harmine", + "names": [ + "Harmine" + ] + }, + { + "compound_id": "C06539", + "inchi": "InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1", + "name": "Reserpine", + "names": [ + "Reserpine" + ] + }, + { + "compound_id": "C06540", + "inchi": "InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1", + "name": "Rescinnamine", + "names": [ + "Rescinnamine" + ] + }, + { + "compound_id": "C06541", + "inchi": "InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1", + "name": "Deserpidine", + "names": [ + "Deserpidine" + ] + }, + { + "compound_id": "C06542", + "inchi": "InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10?,11-,14?,15+,16?,17+,18-,19-,20-/m1/s1", + "name": "Ajmaline", + "names": [ + "Ajmaline" + ] + }, + { + "compound_id": "C06543", + "inchi": "InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1", + "name": "Solanidine", + "names": [ + "Solanidine" + ] + }, + { + "compound_id": "C06544", + "inchi": "InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19?,23?,24?,25?,26?,27-,28?,30?,31+,32+,33+,34+,35-,36-/m0/s1", + "name": "Veratridine", + "names": [ + "Veratridine" + ] + }, + { + "compound_id": "C06545", + "inchi": "InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18+,19-,20-,21+,22+,23+,24+/m1/s1", + "name": "Conessine", + "names": [ + "Conessine" + ] + }, + { + "compound_id": "C06546", + "inchi": "InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3", + "name": "Mescaline", + "names": [ + "Mescaline" + ] + }, + { + "compound_id": "C06547", + "inchi": "InChI=1S/C2H4/c1-2/h1-2H2", + "name": "Ethylene", + "names": [ + "Ethylene" + ] + }, + { + "compound_id": "C06548", + "inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2", + "name": "Ethylene oxide", + "names": [ + "Ethylene oxide" + ] + }, + { + "compound_id": "C06550", + "inchi": "InChI=1S/C2H5AsO5/c4-2(5)1-3(6,7)8/h1H2,(H,4,5)(H2,6,7,8)", + "name": "Arsonoacetate", + "names": [ + "Arsonoacetate" + ] + }, + { + "compound_id": "C06551", + "inchi": "InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)", + "name": "Atrazine", + "names": [ + "Atrazine" + ] + }, + { + "compound_id": "C06552", + "inchi": "InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)", + "name": "Hydroxyatrazine", + "names": [ + "4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine", + "Hydroxyatrazine" + ] + }, + { + "compound_id": "C06553", + "inchi": "InChI=1S/C6H10N4O2/c1-3(2)7-4-8-5(11)10-6(12)9-4/h3H,1-2H3,(H3,7,8,9,10,11,12)", + "name": "N-Isopropylammelide", + "names": [ + "N-Isopropylammelide" + ] + }, + { + "compound_id": "C06554", + "inchi": "InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)", + "name": "Cyanuric acid", + "names": [ + "Cyanuric acid" + ] + }, + { + "compound_id": "C06555", + "inchi": "InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)", + "name": "Biuret", + "names": [ + "Biuret" + ] + }, + { + "compound_id": "C06556", + "inchi": "InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)", + "name": "Deisopropylatrazine", + "names": [ + "Deisopropylatrazine" + ] + }, + { + "compound_id": "C06557", + "inchi": "InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)", + "name": "Deisopropylhydroxyatrazine", + "names": [ + "Deisopropylhydroxyatrazine" + ] + }, + { + "compound_id": "C06558", + "inchi": "InChI=1S/C5H8N4O2/c1-2-6-3-7-4(10)9-5(11)8-3/h2H2,1H3,(H3,6,7,8,9,10,11)", + "name": "N-Ethylammelide", + "names": [ + "2,4-Dihydroxy-6-(N'-ethyl)amino-1,3,5-triazine", + "N-Ethylammelide" + ] + }, + { + "compound_id": "C06559", + "inchi": "InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)", + "name": "Deethylatrazine", + "names": [ + "Deethylatrazine" + ] + }, + { + "compound_id": "C06560", + "inchi": "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)", + "name": "Deisopropyldeethylatrazine", + "names": [ + "Deisopropyldeethylatrazine" + ] + }, + { + "compound_id": "C06561", + "inchi": "InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+", + "name": "Naringenin chalcone", + "names": [ + "2',4,4',6'-Tetrahydroxychalcone", + "Chalconaringenin", + "Isosalipurpol", + "Naringenin chalcone" + ] + }, + { + "compound_id": "C06562", + "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1", + "name": "(+)-Catechin", + "names": [ + "(+)-Catechin", + "(2R,3S)-(+)-Catechin", + "(2R,3S)-Catechin", + "(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol", + "Cianidanol", + "Cyanidanol", + "D-Catechin" + ] + }, + { + "compound_id": "C06563", + "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H", + "name": "Genistein", + "names": [ + "5,7,4'-Trihydroxyisoflavone", + "Genistein" + ] + }, + { + "compound_id": "C06564", + "inchi": "InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1", + "name": "Penicillin N", + "names": [ + "Adicillin", + "Penicillin N" + ] + }, + { + "compound_id": "C06565", + "inchi": "InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1", + "name": "Deacetoxycephalosporin C", + "names": [ + "DAOC", + "Deacetoxycephalosporin C" + ] + }, + { + "compound_id": "C06566", + "inchi": "InChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1", + "name": "Cephamycin C", + "names": [ + "Cephamycin C" + ] + }, + { + "compound_id": "C06567", + "inchi": null, + "name": "Penicilloic acid", + "names": [ + "Penicilloic acid", + "penicillinoic acid" + ] + }, + { + "compound_id": "C06568", + "inchi": "InChI=1S/C15H20N4O8S/c16-7(13(22)23)2-1-3-8(20)18-9-11(21)19-10(14(24)25)6(4-27-15(17)26)5-28-12(9)19/h7,9,12H,1-5,16H2,(H2,17,26)(H,18,20)(H,22,23)(H,24,25)/t7-,9-,12-/m1/s1", + "name": "O-Carbamoyl-deacetylcephalosporin C", + "names": [ + "O-Carbamoyl-deacetylcephalosporin C" + ] + }, + { + "compound_id": "C06569", + "inchi": "InChI=1S/C15H20N4O9S/c16-7(10(21)22)2-1-3-8(20)18-15(27)12(25)19-9(11(23)24)6(4-28-14(17)26)5-29-13(15)19/h7,13,27H,1-5,16H2,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/t7-,13-,15+/m1/s1", + "name": "7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C", + "names": [ + "7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C" + ] + }, + { + "compound_id": "C06570", + "inchi": "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1", + "name": "Tetracycline", + "names": [ + "Tetracycline" + ] + }, + { + "compound_id": "C06571", + "inchi": "InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1", + "name": "Chlortetracycline", + "names": [ + "7-Chlorotetracycline", + "Aureomycin", + "Chlortetracycline" + ] + }, + { + "compound_id": "C06572", + "inchi": "InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1", + "name": "Nystatin", + "names": [ + "Nystatin" + ] + }, + { + "compound_id": "C06573", + "inchi": "InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1", + "name": "Amphotericin B", + "names": [ + "Amphotericin B" + ] + }, + { + "compound_id": "C06574", + "inchi": "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1", + "name": "Ampicillin", + "names": [ + "Ampicillin", + "Anhydrous ampicillin" + ] + }, + { + "compound_id": "C06575", + "inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3", + "name": "p-Cymene", + "names": [ + "p-Cymene" + ] + }, + { + "compound_id": "C06576", + "inchi": "InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3", + "name": "p-Cumic alcohol", + "names": [ + "p-Cumic alcohol" + ] + }, + { + "compound_id": "C06577", + "inchi": "InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3", + "name": "4-Isopropylbenzaldehyde", + "names": [ + "4-Isopropylbenzaldehyde", + "Cuminaldehyde", + "p-Cumic aldehyde" + ] + }, + { + "compound_id": "C06578", + "inchi": "InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)", + "name": "p-Cumate", + "names": [ + "p-Cumate" + ] + }, + { + "compound_id": "C06579", + "inchi": "InChI=1S/C10H14O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,8-9,11-12H,1-2H3,(H,13,14)/t8-,9+/m0/s1", + "name": "cis-2,3-Dihydroxy-2,3-dihydro-p-cumate", + "names": [ + "cis-2,3-Dihydroxy-2,3-dihydro-p-cumate", + "cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate" + ] + }, + { + "compound_id": "C06580", + "inchi": "InChI=1S/C10H12O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3,(H,13,14)", + "name": "2,3-Dihydroxy-p-cumate", + "names": [ + "2,3-Dihydroxy-p-cumate" + ] + }, + { + "compound_id": "C06581", + "inchi": "InChI=1S/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)/b4-3-,8-6-", + "name": "2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate", + "names": [ + "2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate" + ] + }, + { + "compound_id": "C06582", + "inchi": "InChI=1S/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)/b4-3-,8-5+", + "name": "2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate", + "names": [ + "2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate" + ] + }, + { + "compound_id": "C06584", + "inchi": "InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H", + "name": "4-Chlorobiphenyl", + "names": [ + "1-Chloro-4-phenyl benzene", + "4-Chlorobiphenyl", + "4-Monochloro-biphenyl" + ] + }, + { + "compound_id": "C06585", + "inchi": "InChI=1S/C12H11ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,11-12,14-15H/t11-,12+/m0/s1", + "name": "cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl", + "names": [ + "cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl" + ] + }, + { + "compound_id": "C06586", + "inchi": "InChI=1S/C12H9ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,14-15H", + "name": "2,3-Dihydroxy-4'-chlorobiphenyl", + "names": [ + "2,3-Dihydroxy-4'-chlorobiphenyl" + ] + }, + { + "compound_id": "C06587", + "inchi": "InChI=1S/C12H9ClO4/c13-9-6-4-8(5-7-9)10(14)2-1-3-11(15)12(16)17/h1-7,15H,(H,16,17)/b2-1-,11-3-", + "name": "2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate", + "names": [ + "2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate" + ] + }, + { + "compound_id": "C06588", + "inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", + "name": "Biphenyl", + "names": [ + "1,1'-Biphenyl", + "1,1'-Diphenyl", + "Biphenyl", + "Phenylbenzene" + ] + }, + { + "compound_id": "C06589", + "inchi": "InChI=1S/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H/t11-,12+/m0/s1", + "name": "cis-2,3-Dihydro-2,3-dihydroxybiphenyl", + "names": [ + "(1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol", + "cis-2,3-Dihydro-2,3-dihydroxybiphenyl", + "cis-3-Phenylcyclohexa-3,5-diene-1,2-diol" + ] + }, + { + "compound_id": "C06592", + "inchi": null, + "name": "NDP-N-methyl-L-glucosamine", + "names": [ + "NDP-N-methyl-L-glucosamine" + ] + }, + { + "compound_id": "C06593", + "inchi": "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)", + "name": "epsilon-Caprolactam", + "names": [ + "epsilon-Caprolactam" + ] + }, + { + "compound_id": "C06594", + "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H", + "name": "1,2,4-Trichlorobenzene", + "names": [ + "1,2,4-Trichlorobenzene", + "Trichlorobenzene A" + ] + }, + { + "compound_id": "C06596", + "inchi": "InChI=1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H/t2-,4+,5+,6+/m1/s1", + "name": "gamma-Pentachlorocyclohexene", + "names": [ + "gamma-Pentachlorocyclohexene" + ] + }, + { + "compound_id": "C06597", + "inchi": "InChI=1S/C6H4Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H/t3-,6-/m1/s1", + "name": "1,3,4,6-Tetrachloro-1,4-cyclohexadiene", + "names": [ + "1,3,4,6-Tetrachloro-1,4-cyclohexadiene" + ] + }, + { + "compound_id": "C06598", + "inchi": "InChI=1S/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H", + "name": "2,4,5-Trichloro-2,5-cyclohexadiene-1-ol", + "names": [ + "1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene", + "2,4,5-Trichloro-2,5-cyclohexadiene-1-ol" + ] + }, + { + "compound_id": "C06599", + "inchi": "InChI=1S/C6H6Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,5-6,9-10H", + "name": "2,5-Dichloro-2,5-cyclohexadiene-1,4-diol", + "names": [ + "1,4-Dihydroxyl-2,5-dichloro-2,5-cyclohexadiene", + "2,5-Dichloro-2,5-cyclohexadiene-1,4-diol" + ] + }, + { + "compound_id": "C06600", + "inchi": "InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H", + "name": "2,5-Dichlorohydroquinone", + "names": [ + "2,5-Dichloro-1,4-benzenediol", + "2,5-Dichlorohydroquinone" + ] + }, + { + "compound_id": "C06601", + "inchi": "InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H", + "name": "Chlorohydroquinone", + "names": [ + "1,4-Dihydroxyl-2-chlorobenzene", + "Chlorohydroquinone", + "Chloroquinol" + ] + }, + { + "compound_id": "C06602", + "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H", + "name": "2,5-Dichlorophenol", + "names": [ + "2,5-DCP", + "2,5-Dichlorophenol" + ] + }, + { + "compound_id": "C06603", + "inchi": "InChI=1S/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+", + "name": "cis,cis-4-Hydroxymuconic semialdehyde", + "names": [ + "4-Hydroxymuconic semialdehyde", + "cis,cis-4-Hydroxymuconic semialdehyde" + ] + }, + { + "compound_id": "C06604", + "inchi": "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", + "name": "Parathion", + "names": [ + "DNTP", + "O,O-Diethyl O-p-nitrophenyl phosphorothioate", + "Parathion", + "Thiophos" + ] + }, + { + "compound_id": "C06605", + "inchi": "InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3", + "name": "Aminoparathion", + "names": [ + "Aminoparathion" + ] + }, + { + "compound_id": "C06606", + "inchi": "InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", + "name": "Paraoxon", + "names": [ + "O,O-Diethyl-O-p-nitrophenylphosphoric acid", + "Paraoxon" + ] + }, + { + "compound_id": "C06607", + "inchi": "InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)", + "name": "Diethylthiophosphoric acid", + "names": [ + "DETP", + "Diethylthiophosphoric acid" + ] + }, + { + "compound_id": "C06608", + "inchi": "InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)", + "name": "Diethylphosphoric acid", + "names": [ + "Diethylphosphoric acid", + "O,O-Diethylphosphoric acid", + "diethyl phosphate" + ] + }, + { + "compound_id": "C06609", + "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+", + "name": "trans-1,3-Dichloropropene", + "names": [ + "trans-1,3-Dichloropropene", + "trans-3-Chloroallyl chloride" + ] + }, + { + "compound_id": "C06610", + "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-", + "name": "cis-1,3-Dichloropropene", + "names": [ + "cis-1,3-Dichloropropene" + ] + }, + { + "compound_id": "C06611", + "inchi": "InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1+", + "name": "trans-3-Chloro-2-propene-1-ol", + "names": [ + "trans-3-Chloro-2-propene-1-ol", + "trans-3-Chloroallyl alcohol" + ] + }, + { + "compound_id": "C06612", + "inchi": "InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2/b2-1-", + "name": "cis-3-Chloro-2-propene-1-ol", + "names": [ + "cis-3-Chloro-2-propene-1-ol", + "cis-3-Chloroallyl alcohol" + ] + }, + { + "compound_id": "C06613", + "inchi": "InChI=1S/C3H3ClO/c4-2-1-3-5/h1-3H/b2-1+", + "name": "trans-3-Chloroallyl aldehyde", + "names": [ + "trans-3-Chloro-2-propenal", + "trans-3-Chloroallyl aldehyde" + ] + }, + { + "compound_id": "C06614", + "inchi": "InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+", + "name": "trans-3-Chloroacrylic acid", + "names": [ + "trans-3-Chloroacrylic acid" + ] + }, + { + "compound_id": "C06615", + "inchi": "InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-", + "name": "cis-3-Chloroacrylic acid", + "names": [ + "cis-3-Chloroacrylic acid" + ] + }, + { + "compound_id": "C06616", + "inchi": "InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1", + "name": "Erythromycin C", + "names": [ + "Erythromycin C" + ] + }, + { + "compound_id": "C06620", + "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-13,19H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-/m1/s1", + "name": "dTDP-3,4-dioxo-2,6-dideoxy-D-glucose", + "names": [ + "dTDP-3,4-dioxo-2,6-dideoxy-D-glucose" + ] + }, + { + "compound_id": "C06622", + "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10+,11+,12+,13+/m0/s1", + "name": "dTDP-4-oxo-2,6-dideoxy-L-glucose", + "names": [ + "dTDP-4-oxo-2,6-dideoxy-L-glucose" + ] + }, + { + "compound_id": "C06624", + "inchi": "InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1", + "name": "Oxytetracycline", + "names": [ + "Oxytetracycline", + "Oxytetracycline anhydrous" + ] + }, + { + "compound_id": "C06625", + "inchi": "InChI=1S/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1", + "name": "Malonamoyl-CoA", + "names": [ + "Malonamoyl-CoA" + ] + }, + { + "compound_id": "C06626", + "inchi": "InChI=1S/C20H14ClNO8/c1-5-6-4-7-14(24)16(26)13(19(22)29)18(28)20(7,30)17(27)11(6)15(25)12-9(23)3-2-8(21)10(5)12/h2-3,7,23,25-26,30H,4H2,1H3,(H2,22,29)/t7-,20-/m0/s1", + "name": "4-Ketoanhydrochlortetracycline", + "names": [ + "4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline", + "4-Ketoanhydro-7-chlorotetracycline", + "4-Ketoanhydrochlortetracycline", + "4-Oxoanhydrochlortetracycline" + ] + }, + { + "compound_id": "C06627", + "inchi": "InChI=1S/C20H15NO8/c1-6-7-3-2-4-10(22)11(7)15(24)12-8(6)5-9-14(23)16(25)13(19(21)28)18(27)20(9,29)17(12)26/h2-4,9,22,24-25,29H,5H2,1H3,(H2,21,28)/t9-,20-/m0/s1", + "name": "4-Keto-anhydrotetracycline", + "names": [ + "4-Dedimethylamino-4-oxo-anhydrotetracycline", + "4-Keto-ATC", + "4-Keto-anhydrotetracycline", + "4-Ketoanhydrotetracycline" + ] + }, + { + "compound_id": "C06628", + "inchi": "InChI=1S/C20H15NO7/c1-6-7-3-2-4-10(22)11(7)16(24)12-8(6)5-9-13(17(12)25)18(26)14(20(21)28)19(27)15(9)23/h2-5,22-27H,1H3,(H2,21,28)", + "name": "4-Hydroxy-6-methylpretetramide", + "names": [ + "4-Hydroxy-6-methylpretetramide" + ] + }, + { + "compound_id": "C06629", + "inchi": "InChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)", + "name": "6-Methylpretetramide", + "names": [ + "6-Methylpretetramide" + ] + }, + { + "compound_id": "C06630", + "inchi": "InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/m1/s1", + "name": "3-O-alpha-Mycarosylerythronolide B", + "names": [ + "3-O-alpha-Mycarosylerythronolide B", + "4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione" + ] + }, + { + "compound_id": "C06633", + "inchi": "InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1", + "name": "Erythromycin D", + "names": [ + "Erythromycin D" + ] + }, + { + "compound_id": "C06634", + "inchi": "InChI=1S/C37H65NO14/c1-13-25-36(9,45)29(41)20(4)26(39)18(2)15-34(7,44)31(50-33-27(40)24(38(10)11)14-19(3)48-33)21(5)28-23(32(43)49-25)16-47-37(52-28)17-35(8,46-12)30(42)22(6)51-37/h18-25,27-31,33,40-42,44-45H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,25-,27-,28+,29-,30+,31-,33+,34-,35-,36-,37-/m1/s1", + "name": "Erythromycin E", + "names": [ + "Erythromycin E" + ] + }, + { + "compound_id": "C06635", + "inchi": "InChI=1S/C21H38O7/c1-8-15-11(3)17(23)12(4)16(22)10(2)9-21(7,27)19(25)13(5)18(24)14(6)20(26)28-15/h10-15,17-19,23-25,27H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,17+,18+,19-,21-/m1/s1", + "name": "Erythronolide B", + "names": [ + "Erythronolide B" + ] + }, + { + "compound_id": "C06636", + "inchi": "InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H", + "name": "TDE", + "names": [ + "1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane", + "DDD", + "Dichlorodiphenyldichloroethane", + "TDE" + ] + }, + { + "compound_id": "C06637", + "inchi": "InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H", + "name": "1-Chloro-2,2-bis(4'-chlorophenyl)ethylene", + "names": [ + "1-Chloro-2,2-bis(4'-chlorophenyl)ethylene", + "DDMU" + ] + }, + { + "compound_id": "C06638", + "inchi": "InChI=1S/C14H11Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2", + "name": "1-Chloro-2,2-bis(4'-chlorophenyl)ethane", + "names": [ + "1-Chloro-2,2-bis(4'-chlorophenyl)ethane", + "DDMS" + ] + }, + { + "compound_id": "C06639", + "inchi": "InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2", + "name": "2,2-Bis(4'-chlorophenyl)ethanol", + "names": [ + "2,2-Bis(4'-chlorophenyl)ethanol", + "DDOH" + ] + }, + { + "compound_id": "C06640", + "inchi": "InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)", + "name": "Bis(4'-chlorophenyl)acetate", + "names": [ + "Bis(4'-chlorophenyl)acetate", + "DDA" + ] + }, + { + "compound_id": "C06641", + "inchi": "InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2", + "name": "Bis(4'-chlorophenyl)methane", + "names": [ + "Bis(4'-chlorophenyl)methane", + "DDM" + ] + }, + { + "compound_id": "C06642", + "inchi": "InChI=1S/C14H10Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-9H,1H2", + "name": "unsym-Bis(4'-chlorophenyl)ethylene", + "names": [ + "DDNU", + "unsym-Bis(4'-chlorophenyl)ethylene" + ] + }, + { + "compound_id": "C06643", + "inchi": "InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H", + "name": "4,4'-Dichlorobenzophenone", + "names": [ + "4,4'-Dichlorobenzophenone", + "DBP" + ] + }, + { + "compound_id": "C06644", + "inchi": "InChI=1S/C14H8Cl4O2/c15-8-3-1-7(2-4-8)11(14(17)18)9-5-6-10(16)13(20)12(9)19/h1-6,19-20H", + "name": "1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'-chlorophenyl)ethylene", + "names": [ + "1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'-chlorophenyl)ethylene" + ] + }, + { + "compound_id": "C06645", + "inchi": "InChI=1S/C14H8Cl4O4/c15-8-3-1-7(2-4-8)11(13(17)18)10(19)6-5-9(16)12(20)14(21)22/h1-6,20H,(H,21,22)/b6-5+,12-9+", + "name": "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate", + "names": [ + "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate" + ] + }, + { + "compound_id": "C06646", + "inchi": "InChI=1S/C9H5Cl3O2/c10-6-3-1-5(2-4-6)7(8(11)12)9(13)14/h1-4H,(H,13,14)", + "name": "2-(4'-Chlorophenyl)-3,3-dichloropropenoate", + "names": [ + "2-(4'-Chlorophenyl)-3,3-dichloropropenoate" + ] + }, + { + "compound_id": "C06647", + "inchi": "InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3", + "name": "4-Chloroacetophenone", + "names": [ + "4-Chloroacetophenone", + "p-Chloroacetophenone" + ] + }, + { + "compound_id": "C06648", + "inchi": "InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H", + "name": "4-Chlorobenzaldehyde", + "names": [ + "4-Chlorobenzaldehyde" + ] + }, + { + "compound_id": "C06649", + "inchi": "InChI=1S/C14H11Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11-13,20-21H/t11?,12-,13+/m0/s1", + "name": "cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", + "names": [ + "cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", + "cis-2,3-Dihydrodiol DDT" + ] + }, + { + "compound_id": "C06650", + "inchi": "InChI=1S/C14H9Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11,20-21H", + "name": "2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", + "names": [ + "2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane", + "2,3-Dihydroxy DDT" + ] + }, + { + "compound_id": "C06651", + "inchi": "InChI=1S/C14H9Cl5O4/c15-8-3-1-7(2-4-8)11(14(17,18)19)10(20)6-5-9(16)12(21)13(22)23/h1-6,11,21H,(H,22,23)/b6-5-,12-9+", + "name": "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate", + "names": [ + "6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate" + ] + }, + { + "compound_id": "C06653", + "inchi": "InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1", + "name": "Erythromycin B", + "names": [ + "Berythromycin", + "Erythromycin B" + ] + }, + { + "compound_id": "C06654", + "inchi": "InChI=1S/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-25,29H,5,21H2,1H3,(H2,22,28)/t9-,14-,20-/m0/s1", + "name": "4-Amino-anhydrotetracycline", + "names": [ + "4-Amino-ATC", + "4-Amino-anhydrotetracycline", + "4-Dedimethyl-6-dehydro-anhydrotetracycline" + ] + }, + { + "compound_id": "C06655", + "inchi": "InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1", + "name": "L-N2-(2-Carboxyethyl)arginine", + "names": [ + "L-N2-(2-Carboxyethyl)arginine", + "N2-(2-Carboxyethyl)-L-arginine" + ] + }, + { + "compound_id": "C06656", + "inchi": "InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1", + "name": "Deoxyguanidinoproclavaminic acid", + "names": [ + "Deoxyamidinoproclavaminate", + "Deoxyguanidinoproclavaminate", + "Deoxyguanidinoproclavaminic acid" + ] + }, + { + "compound_id": "C06657", + "inchi": "InChI=1S/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)/t5?,7-/m0/s1", + "name": "Guanidinoproclavaminic acid", + "names": [ + "Amidinoproclavaminate", + "Guanidinoproclavaminate", + "Guanidinoproclavaminic acid" + ] + }, + { + "compound_id": "C06658", + "inchi": "InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5?,7-/m0/s1", + "name": "Proclavaminic acid", + "names": [ + "Proclavaminate", + "Proclavaminic acid" + ] + }, + { + "compound_id": "C06659", + "inchi": "InChI=1S/C8H12N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h4,6-7H,1-3,9H2,(H,12,13)/t4-,6+,7+/m1/s1", + "name": "Dihydroclavaminic acid", + "names": [ + "Dihydroclavaminate", + "Dihydroclavaminic acid" + ] + }, + { + "compound_id": "C06660", + "inchi": "InChI=1S/C8H10N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h1,6-7H,2-3,9H2,(H,12,13)/b4-1-/t6-,7-/m0/s1", + "name": "Clavaminic acid", + "names": [ + "Clavaminate", + "Clavaminic acid" + ] + }, + { + "compound_id": "C06661", + "inchi": "InChI=1S/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1", + "name": "Clavulanate-9-aldehyde", + "names": [ + "Clavulanate-9-aldehyde" + ] + }, + { + "compound_id": "C06662", + "inchi": "InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1", + "name": "Clavulanic acid", + "names": [ + "Clavulanate", + "Clavulanic acid" + ] + }, + { + "compound_id": "C06663", + "inchi": null, + "name": "Olivanic acid", + "names": [ + "Olivanic acid" + ] + }, + { + "compound_id": "C06664", + "inchi": "InChI=1S/C11H16N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h5-6,8,14H,2-4,12H2,1H3,(H,16,17)/t5-,6-,8-/m1/s1", + "name": "Thienamycin", + "names": [ + "Thienamycin" + ] + }, + { + "compound_id": "C06665", + "inchi": "InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1", + "name": "Imipenem", + "names": [ + "Imipenem", + "Imipenem anhydrous" + ] + }, + { + "compound_id": "C06667", + "inchi": "InChI=1S/C16H22N4O9/c17-11(13(23)5-3-19-7(21)1-9(19)28-5)15(25)18-12(16(26)27)14(24)6-4-20-8(22)2-10(20)29-6/h5-6,9-14,23-24H,1-4,17H2,(H,18,25)(H,26,27)/t5-,6-,9+,10+,11+,12+,13+,14-/m1/s1", + "name": "Clavamycin A", + "names": [ + "Clavamycin A" + ] + }, + { + "compound_id": "C06668", + "inchi": "InChI=1S/C14H23N3O6/c1-6(2)11(15)13(20)16-12(14(21)22)8(18)3-7-5-17-9(19)4-10(17)23-7/h6-8,10-12,18H,3-5,15H2,1-2H3,(H,16,20)(H,21,22)/t7-,8-,10-,11?,12?/m0/s1", + "name": "Valclavam", + "names": [ + "Valclavam" + ] + }, + { + "compound_id": "C06669", + "inchi": "InChI=1S/C7H7NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h2,4H,1,3H2,(H,10,11)/t4-/m1/s1", + "name": "1-Carbapen-2-em-3-carboxylic acid", + "names": [ + "(5R)-Carbapenem-3-carboxylate", + "(5R)-Carbapenem-3-carboxylic acid", + "1-Carbapen-2-em-3-carboxylic acid" + ] + }, + { + "compound_id": "C06670", + "inchi": "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)", + "name": "2,4-Dichlorobenzoate", + "names": [ + "2,4-Dichlorobenzoate", + "2,4-Dichlorobenzoic acid" + ] + }, + { + "compound_id": "C06671", + "inchi": "InChI=1S/C28H38Cl2N7O17P3S/c1-28(2,22(40)25(41)33-6-5-18(38)32-7-8-58-27(42)15-4-3-14(29)9-16(15)30)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)37-13-36-19-23(31)34-12-35-24(19)37/h3-4,9,12-13,17,20-22,26,39-40H,5-8,10-11H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17-,20-,21-,22?,26-/m1/s1", + "name": "2,4-Dichlorobenzoyl-CoA", + "names": [ + "2,4-Dichlorobenzoyl-CoA" + ] + }, + { + "compound_id": "C06672", + "inchi": "InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)", + "name": "Vanillate", + "names": [ + "4-Hydroxy-3-methoxybenzoate", + "4-Hydroxy-3-methoxybenzoic acid", + "Vanillate", + "Vanillic acid" + ] + }, + { + "compound_id": "C06673", + "inchi": "InChI=1S/C13H10N2O5S/c16-13(17)9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)21(18,19)20/h1-8H,(H,16,17)(H,18,19,20)/b15-14+", + "name": "4-Carboxy-4'-sulfoazobenzene", + "names": [ + "4-Carboxy-4'-sulfoazobenzene" + ] + }, + { + "compound_id": "C06674", + "inchi": "InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)", + "name": "4-Sulfocatechol", + "names": [ + "4-Sulfocatechol" + ] + }, + { + "compound_id": "C06675", + "inchi": "InChI=1S/C6H6O7S/c7-5(8)2-1-4(3-6(9)10)14(11,12)13/h1-3H,(H,7,8)(H,9,10)(H,11,12,13)/b2-1-,4-3+", + "name": "3-Sulfomuconate", + "names": [ + "3-Sulfomuconate" + ] + }, + { + "compound_id": "C06676", + "inchi": "InChI=1S/C6H6O7S/c7-4(8)3-6(14(10,11)12)2-1-5(9)13-6/h1-2H,3H2,(H,7,8)(H,10,11,12)", + "name": "4-Sulfolactone", + "names": [ + "4-Carboxymethyl-4-sulfobut-2-en-4-olide", + "4-Sulfolactone" + ] + }, + { + "compound_id": "C06677", + "inchi": "InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)", + "name": "Toluene-4-sulfonate", + "names": [ + "Toluene-4-sulfonate", + "Tosylate" + ] + }, + { + "compound_id": "C06678", + "inchi": "InChI=1S/C7H8O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4,8H,5H2,(H,9,10,11)", + "name": "4-Sulfobenzyl alcohol", + "names": [ + "4-(Hydroxymethyl)benzenesulfonate", + "4-Sulfobenzyl alcohol" + ] + }, + { + "compound_id": "C06679", + "inchi": "InChI=1S/C7H6O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-5H,(H,9,10,11)", + "name": "4-Sulfobenzaldehyde", + "names": [ + "4-Formylbenzenesulfonate", + "4-Sulfobenzaldehyde" + ] + }, + { + "compound_id": "C06680", + "inchi": "InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)", + "name": "4-Hydroxyphthalate", + "names": [ + "4-Hydroxyphthalate" + ] + }, + { + "compound_id": "C06681", + "inchi": "InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1", + "name": "Mitomycin", + "names": [ + "Mitomycin", + "Mitomycin C" + ] + }, + { + "compound_id": "C06682", + "inchi": "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)", + "name": "DL-Cycloserine", + "names": [ + "DL-Cycloserine" + ] + }, + { + "compound_id": "C06683", + "inchi": "InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1", + "name": "Ceftriaxone", + "names": [ + "Ceftriaxone" + ] + }, + { + "compound_id": "C06684", + "inchi": "InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36?,37-,38-,39-,40+,41+,42+/m0/s1", + "name": "Valinomycin", + "names": [ + "Valinomycin" + ] + }, + { + "compound_id": "C06685", + "inchi": "InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1", + "name": "Cycloheximide", + "names": [ + "Cycloheximide" + ] + }, + { + "compound_id": "C06686", + "inchi": "InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1", + "name": "Griseofulvin", + "names": [ + "Griseofulvin" + ] + }, + { + "compound_id": "C06687", + "inchi": "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)", + "name": "Norfloxacin", + "names": [ + "Norfloxacin" + ] + }, + { + "compound_id": "C06688", + "inchi": "InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1", + "name": "Rifampicin", + "names": [ + "Rifampicin", + "Rifampin" + ] + }, + { + "compound_id": "C06689", + "inchi": "InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44?,46+,47+,48?,49?,50-,51+,52+,53+,54-,56?,57+,65-,66-/m0/s1", + "name": "Vancomycin", + "names": [ + "Vancomycin" + ] + }, + { + "compound_id": "C06690", + "inchi": "InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-58-55(72)53(61)54(71)38(4)76-58)31-50-52(57(73)74)49(69)34-59(75,79-50)33-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)30-51(70)78-56(35)37(3)26-36(2)47(67)32-48(68)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-47,49-50,52-56,58,64-67,69,71-72,75H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58?,59?/m1/s1", + "name": "Candicidin D", + "names": [ + "Candicidin D", + "FR-008-III" + ] + }, + { + "compound_id": "C06691", + "inchi": "InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1", + "name": "Actinorhodin", + "names": [ + "Actinorhodin", + "Actinorhodine" + ] + }, + { + "compound_id": "C06692", + "inchi": "InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5?,6?,7-,8?,9-,10+,11+,14+/m0/s1", + "name": "Polyoxin B", + "names": [ + "Polyoxin B" + ] + }, + { + "compound_id": "C06693", + "inchi": "InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1", + "name": "Monensin", + "names": [ + "Monensin", + "Monensin A" + ] + }, + { + "compound_id": "C06694", + "inchi": "InChI=1/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1/f/h35H", + "name": "Fusidic acid", + "names": [ + "Fusidic acid" + ] + }, + { + "compound_id": "C06695", + "inchi": "InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)", + "name": "2-Oxazolidinone", + "names": [ + "2-Oxazolidinone" + ] + }, + { + "compound_id": "C06696", + "inchi": "InChI=1/Pb", + "name": "Lead", + "names": [ + "Lead" + ] + }, + { + "compound_id": "C06697", + "inchi": "InChI=1S/AsO3/c2-1(3)4/q-3", + "name": "Arsenite", + "names": [ + "Arsenite", + "Trisoxylatoarsine" + ] + }, + { + "compound_id": "C06701", + "inchi": "InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)", + "name": "Phosphonic acid", + "names": [ + "Phosphite", + "Phosphonate", + "Phosphonic acid", + "Phosphorous acid" + ] + }, + { + "compound_id": "C06702", + "inchi": null, + "name": "Polyamine", + "names": [ + "Polyamine" + ] + }, + { + "compound_id": "C06704", + "inchi": null, + "name": "Iron chelate", + "names": [ + "Iron chelate" + ] + }, + { + "compound_id": "C06705", + "inchi": null, + "name": "Capsular polysaccharide", + "names": [ + "Capsular polysaccharide" + ] + }, + { + "compound_id": "C06706", + "inchi": null, + "name": "Lipo-oligosaccharide", + "names": [ + "Lipo-oligosaccharide" + ] + }, + { + "compound_id": "C06707", + "inchi": null, + "name": "Teichoic acid", + "names": [ + "Teichoic acid" + ] + }, + { + "compound_id": "C06710", + "inchi": "InChI=1S/Ag", + "name": "Silver", + "names": [ + "Ag", + "Ag+", + "Argentum", + "Silver" + ] + }, + { + "compound_id": "C06711", + "inchi": "InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H", + "name": "Fluoren-9-ol", + "names": [ + "9-Fluorenol", + "9-Hydroxyfluorene", + "Diphenylene carbinol", + "Fluoren-9-ol" + ] + }, + { + "compound_id": "C06712", + "inchi": "InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H", + "name": "Fluoren-9-one", + "names": [ + "9-Fluorenone", + "Fluoren-9-one" + ] + }, + { + "compound_id": "C06714", + "inchi": "InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t15?,16-,21-,22-,23?,27-/m1/s1", + "name": "3-Hydroxypimeloyl-CoA", + "names": [ + "3-Hydroxypimeloyl-CoA", + "3-Hydroxypimelyl-CoA" + ] + }, + { + "compound_id": "C06715", + "inchi": "InChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23?,27-/m1/s1", + "name": "3-Oxopimeloyl-CoA", + "names": [ + "3-Ketopimelyl-CoA", + "3-Oxopimeloyl-CoA" + ] + }, + { + "compound_id": "C06717", + "inchi": "InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15?,17?/m0/s1", + "name": "Mycothiol", + "names": [ + "Mycothiol" + ] + }, + { + "compound_id": "C06718", + "inchi": "InChI=1S/C18H30N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h4,6-16,18,21,24-30H,2-3H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16?,18?/m0/s1", + "name": "S-Formylmycothiol", + "names": [ + "S-Formylmycothiol" + ] + }, + { + "compound_id": "C06719", + "inchi": "InChI=1S/C6H8O3/c7-4-1-5(8)3-6(9)2-4/h1,6-7,9H,2-3H2", + "name": "Dihydrophloroglucinol", + "names": [ + "Dihydrophloroglucinol" + ] + }, + { + "compound_id": "C06720", + "inchi": "InChI=1S/C8H10O4/c1-5-3-2-4-8(12,6(5)9)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)/t6-,8+/m0/s1", + "name": "1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate", + "names": [ + "1,2-Dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate", + "1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate" + ] + }, + { + "compound_id": "C06721", + "inchi": "InChI=1S/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m1/s1", + "name": "cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene", + "names": [ + "cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene" + ] + }, + { + "compound_id": "C06722", + "inchi": "InChI=1S/C12H8O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,13-14H", + "name": "1,2-Dihydroxydibenzothiophene", + "names": [ + "1,2-Dihydroxydibenzothiophene" + ] + }, + { + "compound_id": "C06723", + "inchi": "InChI=1S/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-16,21-23,27,40-41H,3-4,6,8-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/b7-5+/t16-,21-,22-,23?,27-/m1/s1", + "name": "6-Carboxyhex-2-enoyl-CoA", + "names": [ + "2,3-Didehydro-pimeloyl-CoA", + "6-Carboxyhex-2-enoyl-CoA" + ] + }, + { + "compound_id": "C06725", + "inchi": "InChI=1S/C10H9NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,12-13H,1H3,(H,11,14)", + "name": "5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline", + "names": [ + "5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline" + ] + }, + { + "compound_id": "C06726", + "inchi": "InChI=1S/C10H11NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,8-9,12-13H,1H3,(H,11,14)", + "name": "5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline", + "names": [ + "5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline" + ] + }, + { + "compound_id": "C06727", + "inchi": "InChI=1S/C8H12O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,7-10H,2H2,1H3/t7-,8+/m0/s1", + "name": "cis-1,2-Dihydro-3-ethylcatechol", + "names": [ + "cis-1,2-Dihydro-3-ethylcatechol", + "cis-2,3-Dihydroxy-2,3-dihydroethylbenzene", + "cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol" + ] + }, + { + "compound_id": "C06728", + "inchi": "InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3", + "name": "3-Ethylcatechol", + "names": [ + "2,3-Dihydroxyethylbenzene", + "3-Ethyl-benzene-1,2-diol", + "3-Ethylcatechol" + ] + }, + { + "compound_id": "C06729", + "inchi": "InChI=1S/C8H10O4/c1-5-2-3-8(12,7(10)11)6(9)4-5/h2-4,6,9,12H,1H3,(H,10,11)", + "name": "cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate", + "names": [ + "4-Methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid", + "cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate" + ] + }, + { + "compound_id": "C06730", + "inchi": "InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3", + "name": "4-Methylcatechol", + "names": [ + "1,2-Dihydroxy-4-methylbenzene", + "3,4-Dihydroxytoluene", + "4-Methyl-1,2-benzenediol", + "4-Methylcatechol" + ] + }, + { + "compound_id": "C06731", + "inchi": "InChI=1S/C8H10O4/c1-5-3-2-4-6(9)8(5,12)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)", + "name": "1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate", + "names": [ + "1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate" + ] + }, + { + "compound_id": "C06732", + "inchi": "InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-", + "name": "alpha,beta-Didehydrotryptophan", + "names": [ + "alpha,beta-Didehydrotryptophan" + ] + }, + { + "compound_id": "C06733", + "inchi": "InChI=1S/C30H42O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+", + "name": "8'-apo-beta-Carotenol", + "names": [ + "8'-apo-beta-Carotenol" + ] + }, + { + "compound_id": "C06734", + "inchi": "InChI=1S/C22H30O/c1-18(10-6-7-17-23)11-8-12-19(2)14-15-21-20(3)13-9-16-22(21,4)5/h6-8,10-12,14-15,17H,9,13,16H2,1-5H3/b7-6+,11-8+,15-14+,18-10+,19-12+", + "name": "14'-apo-beta-Carotenal", + "names": [ + "14'-apo-beta-Carotenal" + ] + }, + { + "compound_id": "C06735", + "inchi": "InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2", + "name": "Aminoacetaldehyde", + "names": [ + "2-Aminoacetaldehyde", + "Aminoacetaldehyde" + ] + }, + { + "compound_id": "C06736", + "inchi": "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b6-5+/t24-,28-,29-,30?,34-/m1/s1", + "name": "(E)-11-Tetradecenoyl-CoA", + "names": [ + "(11E)-Tetradecenoyl-CoA", + "(E)-11-Tetradecenoyl-CoA" + ] + }, + { + "compound_id": "C06737", + "inchi": "InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b6-5-/t24-,28-,29-,30?,34-/m1/s1", + "name": "(Z)-11-Tetradecenoyl-CoA", + "names": [ + "(11Z)-Tetradecenoyl-CoA", + "(Z)-11-Tetradecenoyl-CoA" + ] + }, + { + "compound_id": "C06738", + "inchi": "InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3-", + "name": "cis-p-Coumarate", + "names": [ + "cis-p-Coumarate" + ] + }, + { + "compound_id": "C06739", + "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3-/t10-,12-,13+,14-,15-/m1/s1", + "name": "4'-O-beta-D-Glucosyl-cis-p-coumarate", + "names": [ + "4'-O-beta-D-Glucosyl-cis-p-coumarate" + ] + }, + { + "compound_id": "C06740", + "inchi": "InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21-,22+,23-,24?,25-,27+,29+,30+,31-,32-/m1/s1", + "name": "Glucosyl-limonin", + "names": [ + "Glucosyl-limonin", + "Limonin 17-beta-D-glucoside" + ] + }, + { + "compound_id": "C06741", + "inchi": null, + "name": "Feruloyl-polysaccharide", + "names": [ + "Feruloyl-polysaccharide" + ] + }, + { + "compound_id": "C06742", + "inchi": "InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)", + "name": "2'-Hydroxybiphenyl-2-sulfinate", + "names": [ + "2'-Hydroxybiphenyl-2-sulfinate", + "2-(2-Hydroxyphenyl)benzenesulfinate" + ] + }, + { + "compound_id": "C06743", + "inchi": null, + "name": "Poly(ADPribose)", + "names": [ + "Poly(ADPribose)" + ] + }, + { + "compound_id": "C06744", + "inchi": null, + "name": "3-Deoxyoctulosonyl-lipopolysaccharide", + "names": [ + "3-Deoxyoctulosonyl-lipopolysaccharide" + ] + }, + { + "compound_id": "C06746", + "inchi": "InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)", + "name": "N-(2-Phenylethyl)-acetamide", + "names": [ + "N-(2-Phenylethyl)-acetamide", + "N-Acetyl-2-phenylethylamine", + "N-Acetylphenylethylamine" + ] + }, + { + "compound_id": "C06747", + "inchi": "InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2", + "name": "Phenylmethanesulfonyl fluoride", + "names": [ + "Benzenemethanesulfonyl fluoride", + "PMSF", + "Phenylmethanesulfonyl fluoride" + ] + }, + { + "compound_id": "C06748", + "inchi": "InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3", + "name": "Isopropylamine", + "names": [ + "2-Aminopropane", + "2-Propanamine", + "Isopropylamine", + "Monoisopropylamine" + ] + }, + { + "compound_id": "C06749", + "inchi": "InChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,16-17,20-22,26,36,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,20-,21-,22?,26-/m1/s1", + "name": "6-Hydroxycyclohex-1-enecarbonyl-CoA", + "names": [ + "6-Hydroxycyclohex-1-ene-1-carboxyl-CoA", + "6-Hydroxycyclohex-1-enecarbonyl-CoA", + "6-hydroxycyclohex-1-ene-carboxyl-coa" + ] + }, + { + "compound_id": "C06751", + "inchi": "", + "name": "Prenyl-L-cysteine", + "names": [ + "Prenyl-L-cysteine" + ] + }, + { + "compound_id": "C06752", + "inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2", + "name": "1,2-Dichloroethane", + "names": [ + "1,2-Dichloroethane", + "Dutch liquid", + "Ethylene dichloride", + "Glycol dichloride" + ] + }, + { + "compound_id": "C06753", + "inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2", + "name": "2-Chloroethanol", + "names": [ + "2-Chloroethanol", + "Ethylene chlorohydrin", + "Glycol chlorohydrin" + ] + }, + { + "compound_id": "C06754", + "inchi": "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2", + "name": "Chloroacetaldehyde", + "names": [ + "2-Chloroethanal", + "Chloroacetaldehyde" + ] + }, + { + "compound_id": "C06755", + "inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)", + "name": "Chloroacetic acid", + "names": [ + "Chloroacetic acid", + "Chloroethanoic acid" + ] + }, + { + "compound_id": "C06756", + "inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", + "name": "p-Xylene", + "names": [ + "1,4-Dimethylbenzene", + "p-Methyltoluene", + "p-Xylene" + ] + }, + { + "compound_id": "C06757", + "inchi": "InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3", + "name": "4-Methylbenzyl alcohol", + "names": [ + "4-Methylbenzyl alcohol", + "4-Tolylcarbinol", + "alpha-Hydroxy-p-xylene" + ] + }, + { + "compound_id": "C06758", + "inchi": "InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3", + "name": "p-Tolualdehyde", + "names": [ + "4-Methylbenzaldehyde", + "4-Toluylaldehyde", + "p-Formyltoluene", + "p-Methylbenzaldehyde", + "p-Tolualdehyde" + ] + }, + { + "compound_id": "C06760", + "inchi": "InChI=1S/C7H8O4/c1-5(4-8)2-3-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b5-2-,6-3+", + "name": "2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde", + "names": [ + "(2E,4Z)-2-Hydroxy-5-methyl-6-oxohexa-2,4-dienoate", + "2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde" + ] + }, + { + "compound_id": "C06761", + "inchi": "InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-3H,4H2,1H3,(H,8,9)/b3-2+", + "name": "(4E)-2-Oxohexenoic acid", + "names": [ + "(4E)-2-Oxohexenoic acid", + "2-Oxohex-trans-4-enoate" + ] + }, + { + "compound_id": "C06762", + "inchi": "InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)", + "name": "4-Hydroxy-2-oxohexanoic acid", + "names": [ + "4-Hydroxy-2-oxohexanoate", + "4-Hydroxy-2-oxohexanoic acid" + ] + }, + { + "compound_id": "C06763", + "inchi": "InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5-,6?/m1/s1", + "name": "Nojirimycin", + "names": [ + "5-Amino-5-deoxy-D-glucopyranose", + "Nojirimycin" + ] + }, + { + "compound_id": "C06764", + "inchi": "InChI=1S/C44H72O12/c1-9-29-21-33-13-17-38(49-33)26(6)42(46)54-31(11-3)23-35-15-19-40(51-35)28(8)44(48)56-32(12-4)24-36-16-20-39(52-36)27(7)43(47)55-30(10-2)22-34-14-18-37(50-34)25(5)41(45)53-29/h25-40H,9-24H2,1-8H3/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40-", + "name": "Tetranactin", + "names": [ + "Tetranactin" + ] + }, + { + "compound_id": "C06765", + "inchi": "InChI=1S/C69H107N4O35P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(60(88)89)29-98-109(94,95)108-66-56(57(107-67(70)92)69(11,93)58(106-66)61(90)91)105-63-44(72-36(8)76)47(81)54(40(101-63)28-97-64-51(85)48(82)45(79)39(27-74)100-64)103-62-43(71-35(7)75)46(80)53(34(6)99-62)102-65-52(86)49(83)50(84)55(104-65)59(87)73-42-37(77)20-21-38(42)78/h13,15,18,23-24,34,39-41,43-58,62-66,74,77,79-86,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,92)(H,71,75)(H,72,76)(H,73,87)(H,88,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23+/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53?,54?,55+,56?,57-,58-,62?,63?,64-,65?,66-,69+/m1/s1", + "name": "Flavomycin", + "names": [ + "Bambermycin", + "Flavomycin", + "Moenomycin A" + ] + }, + { + "compound_id": "C06767", + "inchi": "InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;", + "name": "Hemine", + "names": [ + "Hemin", + "Hemine" + ] + }, + { + "compound_id": "C06769", + "inchi": "InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19+,26+,27-/m0/s1", + "name": "Vibriobactin", + "names": [ + "Vibriobactin" + ] + }, + { + "compound_id": "C06770", + "inchi": "InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)", + "name": "Actinomycin D", + "names": [ + "Actinomycin D", + "Dactinomycin" + ] + }, + { + "compound_id": "C06771", + "inchi": "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2", + "name": "Triethanolamine", + "names": [ + "Triethanolamine", + "Trolamine" + ] + }, + { + "compound_id": "C06772", + "inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2", + "name": "Diethanolamine", + "names": [ + "Diethanolamine" + ] + }, + { + "compound_id": "C06773", + "inchi": "InChI=1S/C24H16O11/c1-5-2-7-12(19(29)10(5)24(34)35)13-14(23(33)18(7)28)22(32)16-15(21(13)31)17(27)8-3-6(25)4-9(26)11(8)20(16)30/h2-4,18,23,25-26,28-29,31-33H,1H3,(H,34,35)/t18-,23-/m0/s1", + "name": "11-O-Demethylpradinone II", + "names": [ + "11-O-Demethylpradinone II" + ] + }, + { + "compound_id": "C06774", + "inchi": "InChI=1S/C25H18O11/c1-6-3-8-13(20(30)11(6)25(34)35)14-16(23(33)19(8)29)24(36-2)17-15(22(14)32)18(28)9-4-7(26)5-10(27)12(9)21(17)31/h3-5,19,23,26-27,29-30,32-33H,1-2H3,(H,34,35)/t19-,23-/m0/s1", + "name": "11-O-Demethyl-7-methoxypradinone II", + "names": [ + "11-O-Demethyl-7-methoxypradinone II" + ] + }, + { + "compound_id": "C06775", + "inchi": "InChI=1S/C24H16O10/c1-6-2-8-15(22(31)13(6)24(33)34)16-10(21(30)20(8)29)5-11-17(23(16)32)19(28)9-3-7(25)4-12(26)14(9)18(11)27/h2-5,20-21,25-26,29-32H,1H3,(H,33,34)/t20-,21-/m0/s1", + "name": "11-O-Demethylpradinone I", + "names": [ + "11-O-Demethylpradinone I" + ] + }, + { + "compound_id": "C06776", + "inchi": "InChI=1S/C27H21NO11/c1-7-3-10-17(24(35)15(7)26(37)28-8(2)27(38)39)18-12(23(34)22(10)33)6-13-19(25(18)36)21(32)11-4-9(29)5-14(30)16(11)20(13)31/h3-6,8,22-23,29-30,33-36H,1-2H3,(H,28,37)(H,38,39)/t8?,22-,23-/m0/s1", + "name": "11-O-Demethylpradimicinone I", + "names": [ + "11-O-Demethylpradimicinone I" + ] + }, + { + "compound_id": "C06777", + "inchi": "InChI=1S/C28H23NO11/c1-8-4-11-18(25(35)16(8)27(37)29-9(2)28(38)39)19-13(24(34)23(11)33)7-14-20(26(19)36)22(32)12-5-10(40-3)6-15(30)17(12)21(14)31/h4-7,9,23-24,30,33-36H,1-3H3,(H,29,37)(H,38,39)/t9?,23-,24-/m0/s1", + "name": "Pradimicinone I", + "names": [ + "Pradimicinone I" + ] + }, + { + "compound_id": "C06778", + "inchi": "InChI=1S/C27H21NO12/c1-6-3-9-14(21(33)12(6)26(38)28-7(2)27(39)40)15-16(25(37)20(9)32)24(36)18-17(23(15)35)19(31)10-4-8(29)5-11(30)13(10)22(18)34/h3-5,7,20,25,29-30,32-33,35-37H,1-2H3,(H,28,38)(H,39,40)/t7?,20-,25-/m0/s1", + "name": "11-O-Demethylpradimicinone II", + "names": [ + "11-O-Demethylpradimicinone II", + "Benamicin C" + ] + }, + { + "compound_id": "C06779", + "inchi": "InChI=1S/C28H23NO12/c1-7-4-10-15(22(34)13(7)27(38)29-8(2)28(39)40)16-18(25(37)21(10)33)26(41-3)19-17(24(16)36)20(32)11-5-9(30)6-12(31)14(11)23(19)35/h4-6,8,21,25,30-31,33-34,36-37H,1-3H3,(H,29,38)(H,39,40)/t8?,21-,25-/m0/s1", + "name": "11-O-Demethyl-7-methoxypradimicinone II", + "names": [ + "11-O-Demethyl-7-methoxypradimicinone II" + ] + }, + { + "compound_id": "C06780", + "inchi": "InChI=1S/C28H23NO12/c1-7-4-10-15(22(33)13(7)27(38)29-8(2)28(39)40)16-17(26(37)21(10)32)25(36)19-18(24(16)35)20(31)11-5-9(41-3)6-12(30)14(11)23(19)34/h4-6,8,21,26,30,32-33,35-37H,1-3H3,(H,29,38)(H,39,40)/t8?,21-,26-/m0/s1", + "name": "Pradimicinone II", + "names": [ + "Pradimicinone II" + ] + }, + { + "compound_id": "C06781", + "inchi": "InChI=1S/C29H25NO12/c1-8-5-11-16(23(34)14(8)28(38)30-9(2)29(39)40)17-19(26(37)22(11)33)27(42-4)20-18(25(17)36)21(32)12-6-10(41-3)7-13(31)15(12)24(20)35/h5-7,9,22,26,31,33-34,36-37H,1-4H3,(H,30,38)(H,39,40)/t9?,22-,26-/m0/s1", + "name": "7-Methoxypradimicinone II", + "names": [ + "7-Methoxypradimicinone II" + ] + }, + { + "compound_id": "C06782", + "inchi": "InChI=1S/C40H44N2O19/c1-10-6-15-20(28(47)18(10)37(54)42-11(2)38(55)56)21-22(31(50)24-23(30(21)49)26(45)14-7-13(57-5)8-16(43)19(14)29(24)48)32(51)35(15)60-40-34(53)36(25(41-4)12(3)59-40)61-39-33(52)27(46)17(44)9-58-39/h6-8,11-12,17,25,27,32-36,39-41,43-44,46-47,49-53H,9H2,1-5H3,(H,42,54)(H,55,56)/t11?,12-,17-,25+,27+,32+,33-,34-,35+,36?,39?,40+/m1/s1", + "name": "7-Hydroxylpradimicin A", + "names": [ + "7-Hydroxylpradimicin A" + ] + }, + { + "compound_id": "C06783", + "inchi": "InChI=1S/C35H36N2O14/c1-10-6-17-22(28(42)19(10)33(46)37-11(2)34(47)48)21-15(27(41)32(17)51-35-31(45)30(44)24(36-4)12(3)50-35)9-16-23(29(21)43)26(40)14-7-13(49-5)8-18(38)20(14)25(16)39/h6-9,11-12,24,27,30-32,35-36,38,41-45H,1-5H3,(H,37,46)(H,47,48)/t11?,12-,24+,27+,30+,31-,32+,35+/m1/s1", + "name": "Pradimicin B", + "names": [ + "Pradimicin B" + ] + }, + { + "compound_id": "C06784", + "inchi": "InChI=1S/C40H44N2O18/c1-11-6-18-24(31(49)21(11)37(53)42-12(2)38(54)55)23-16(9-17-25(32(23)50)28(46)15-7-14(56-5)8-19(43)22(15)27(17)45)29(47)35(18)59-40-34(52)36(26(41-4)13(3)58-40)60-39-33(51)30(48)20(44)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-41,43-44,47-52H,10H2,1-5H3,(H,42,53)(H,54,55)/t12?,13-,20-,26+,29+,30+,33-,34-,35+,36?,39?,40+/m1/s1", + "name": "Pradimicin A", + "names": [ + "Pradimicin A" + ] + }, + { + "compound_id": "C06785", + "inchi": "InChI=1S/C34H34N2O14/c1-9-5-16-21(27(41)18(9)32(45)36-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(35)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(37)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,37,40-44H,35H2,1-4H3,(H,36,45)(H,46,47)/t10?,11-,23+,26+,29+,30-,31+,34+/m1/s1", + "name": "Dexylosylpradimicin C", + "names": [ + "Dexylosylpradimicin C" + ] + }, + { + "compound_id": "C06786", + "inchi": "InChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11?,12-,19-,25+,28+,29+,32-,33-,34+,35?,38?,39+/m1/s1", + "name": "Pradimicin C", + "names": [ + "Benanomicin B", + "Pradimicin C" + ] + }, + { + "compound_id": "C06787", + "inchi": "InChI=1S/C34H33NO15/c1-9-5-16-21(27(41)18(9)32(45)35-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(36)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10?,11-,23+,26+,29+,30-,31+,34+/m1/s1", + "name": "Dexylosylbenanomicin A", + "names": [ + "Dexylosylbenanomicin A" + ] + }, + { + "compound_id": "C06788", + "inchi": "InChI=1S/C39H41NO19/c1-10-5-17-23(30(48)20(10)36(52)40-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(41)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(43)12(3)57-39)59-38-32(50)29(47)19(42)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,41-43,46-51H,9H2,1-4H3,(H,40,52)(H,53,54)/t11?,12-,19-,25+,28+,29+,32-,33-,34+,35?,38?,39+/m1/s1", + "name": "Benanomicin A", + "names": [ + "Benanomicin A" + ] + }, + { + "compound_id": "C06789", + "inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6", + "name": "Tetrachloroethene", + "names": [ + "PCE", + "Perchloroethylene", + "Tetrachloroethene" + ] + }, + { + "compound_id": "C06790", + "inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H", + "name": "Trichloroethene", + "names": [ + "TCE", + "Trichloroethene", + "Trichloroethylene" + ] + }, + { + "compound_id": "C06791", + "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+", + "name": "trans-1,2-Dichloroethene", + "names": [ + "trans-1,2-Dichloroethene", + "trans-Acetylene dichloride" + ] + }, + { + "compound_id": "C06792", + "inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-", + "name": "cis-1,2-Dichloroethene", + "names": [ + "cis-1,2-Dichloroethene", + "cis-Acetylene dichloride" + ] + }, + { + "compound_id": "C06793", + "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2", + "name": "Vinyl chloride", + "names": [ + "Chloroethylene", + "Vinyl chloride" + ] + }, + { + "compound_id": "C06799", + "inchi": "InChI=1S/C22H20O10/c1-5-11-15(21-8(30-5)4-10(24)32-21)19(27)13-14(17(11)25)20(28)16-12(18(13)26)7-3-9(23)22(16,29)6(2)31-7/h5-9,21,23,26,28-29H,3-4H2,1-2H3/t5-,6+,7+,8-,9+,21+,22+/m0/s1", + "name": "Granaticin", + "names": [ + "Granaticin" + ] + }, + { + "compound_id": "C06800", + "inchi": "InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3", + "name": "Aflatoxin B1", + "names": [ + "Aflatoxin B1" + ] + }, + { + "compound_id": "C06801", + "inchi": "InChI=1S/C23H20O11/c1-8-14-9(6-11(32-2)15(8)21(29)34-4)5-10-16(17(14)25)20(28)22(30)13(24)7-12(33-3)19(27)23(22,31)18(10)26/h5-7,19,25,27,30-31H,1-4H3/t19-,22-,23-/m1/s1", + "name": "Tetracenomycin C", + "names": [ + "Tetracenomycin C" + ] + }, + { + "compound_id": "C06802", + "inchi": "InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1", + "name": "Acarbose", + "names": [ + "Acarbose" + ] + }, + { + "compound_id": "C06803", + "inchi": "InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)", + "name": "Acebutolol", + "names": [ + "Acebutolol" + ] + }, + { + "compound_id": "C06804", + "inchi": "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)", + "name": "Acetaminophen", + "names": [ + "Acetaminophen", + "Paracetamol" + ] + }, + { + "compound_id": "C06805", + "inchi": "InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)", + "name": "Acetazolamide", + "names": [ + "Acetazolamide" + ] + }, + { + "compound_id": "C06806", + "inchi": "InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)", + "name": "Acetohexamide", + "names": [ + "Acetohexamide" + ] + }, + { + "compound_id": "C06807", + "inchi": "InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-21-23(17-19)29-22-6-3-2-5-20(22)26(21)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3", + "name": "Acetophenazine", + "names": [ + "Acetophenazine" + ] + }, + { + "compound_id": "C06808", + "inchi": "InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)", + "name": "Acetohydroxamic acid", + "names": [ + "Acetohydroxamic acid" + ] + }, + { + "compound_id": "C06809", + "inchi": "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)", + "name": "Acetylcysteine", + "names": [ + "Acetylcysteine" + ] + }, + { + "compound_id": "C06810", + "inchi": "InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)", + "name": "Acyclovir", + "names": [ + "Aciclovir", + "Acyclovir" + ] + }, + { + "compound_id": "C06812", + "inchi": "InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1", + "name": "Lincomycin", + "names": [ + "Lincomycin" + ] + }, + { + "compound_id": "C06813", + "inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H", + "name": "Nitrobenzene", + "names": [ + "Nitrobenzene", + "Nitrobenzol" + ] + }, + { + "compound_id": "C06814", + "inchi": "InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1", + "name": "D-Xylose-5-phosphate", + "names": [ + "D-Xylose-5-phosphate" + ] + }, + { + "compound_id": "C06817", + "inchi": "InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3", + "name": "Alprazolam", + "names": [ + "Alprazolam" + ] + }, + { + "compound_id": "C06818", + "inchi": "InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2", + "name": "Amantadine", + "names": [ + "Amantadine" + ] + }, + { + "compound_id": "C06819", + "inchi": "InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)", + "name": "Amifostine", + "names": [ + "Amifostine" + ] + }, + { + "compound_id": "C06820", + "inchi": "InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1", + "name": "Amikacin", + "names": [ + "Amikacin" + ] + }, + { + "compound_id": "C06821", + "inchi": "InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)", + "name": "Amiloride", + "names": [ + "Amiloride" + ] + }, + { + "compound_id": "C06823", + "inchi": "InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3", + "name": "Amiodarone", + "names": [ + "Amiodarone" + ] + }, + { + "compound_id": "C06824", + "inchi": "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3", + "name": "Amitriptyline", + "names": [ + "Amitriptyline" + ] + }, + { + "compound_id": "C06825", + "inchi": "InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3", + "name": "Amlodipine", + "names": [ + "Amlodipine" + ] + }, + { + "compound_id": "C06827", + "inchi": "InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1", + "name": "Amoxicillin", + "names": [ + "Amoxicillin", + "Amoxicillin anhydrous" + ] + }, + { + "compound_id": "C06830", + "inchi": "InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16+;", + "name": "Anisotropine methylbromide", + "names": [ + "Anisotropine methylbromide", + "Methyloctatropine bromide" + ] + }, + { + "compound_id": "C06831", + "inchi": "InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2", + "name": "Dithranol", + "names": [ + "Anthralin", + "Dithranol" + ] + }, + { + "compound_id": "C06832", + "inchi": "InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)", + "name": "Astemizole", + "names": [ + "Astemizole" + ] + }, + { + "compound_id": "C06834", + "inchi": "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1", + "name": "Atorvastatin", + "names": [ + "Atorvastatin" + ] + }, + { + "compound_id": "C06835", + "inchi": "InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-", + "name": "Atovaquone", + "names": [ + "Acuvel", + "Atovaquone", + "Mepron", + "Wellvone" + ] + }, + { + "compound_id": "C06837", + "inchi": "InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)", + "name": "Azathioprine", + "names": [ + "Azathioprine" + ] + }, + { + "compound_id": "C06838", + "inchi": "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1", + "name": "Azithromycin", + "names": [ + "Azithromycin" + ] + }, + { + "compound_id": "C06839", + "inchi": "InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12+,13-,16+/m0/s1", + "name": "Azlocillin", + "names": [ + "Azlocillin" + ] + }, + { + "compound_id": "C06840", + "inchi": "InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1", + "name": "Aztreonam", + "names": [ + "Aztreonam", + "Monobactam" + ] + }, + { + "compound_id": "C06842", + "inchi": "InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1", + "name": "Beclomethasone", + "names": [ + "Beclomethasone" + ] + }, + { + "compound_id": "C06843", + "inchi": "InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1", + "name": "Benazepril", + "names": [ + "Benazepril" + ] + }, + { + "compound_id": "C06846", + "inchi": "InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19-/m1/s1", + "name": "Benztropine", + "names": [ + "Benzatropine", + "Benztropine" + ] + }, + { + "compound_id": "C06847", + "inchi": "InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3", + "name": "Bepridil", + "names": [ + "Bepridil" + ] + }, + { + "compound_id": "C06848", + "inchi": "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1", + "name": "Betamethasone", + "names": [ + "Betamethasone" + ] + }, + { + "compound_id": "C06849", + "inchi": "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3", + "name": "Betaxolol", + "names": [ + "Betaxolol" + ] + }, + { + "compound_id": "C06850", + "inchi": "InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1", + "name": "Bethanechol", + "names": [ + "Bethanechol" + ] + }, + { + "compound_id": "C06852", + "inchi": "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3", + "name": "Bisoprolol", + "names": [ + "Bisoprolol" + ] + }, + { + "compound_id": "C06853", + "inchi": "InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3", + "name": "Bitolterol", + "names": [ + "Bitolterol" + ] + }, + { + "compound_id": "C06854", + "inchi": "InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41?,42-,43?,53?,54?/m0/s1", + "name": "Bleomycin A2", + "names": [ + "Bleomycin A2" + ] + }, + { + "compound_id": "C06855", + "inchi": "InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1", + "name": "Bretylium", + "names": [ + "Bretylium" + ] + }, + { + "compound_id": "C06856", + "inchi": "InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31?,32+/m1/s1", + "name": "Bromocriptine", + "names": [ + "Bromocriptine" + ] + }, + { + "compound_id": "C06857", + "inchi": "InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3", + "name": "Brompheniramine", + "names": [ + "Brompheniramine" + ] + }, + { + "compound_id": "C06860", + "inchi": "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3", + "name": "Bupropion", + "names": [ + "Bupropion" + ] + }, + { + "compound_id": "C06861", + "inchi": "InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2", + "name": "Buspirone", + "names": [ + "Buspirone" + ] + }, + { + "compound_id": "C06862", + "inchi": "InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3", + "name": "Busulfan", + "names": [ + "Busulfan" + ] + }, + { + "compound_id": "C06863", + "inchi": "InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1", + "name": "Butorphanol", + "names": [ + "Butorphanol" + ] + }, + { + "compound_id": "C06865", + "inchi": "InChI=1S/C145H240N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99-63-239-238-62-79(148)117(210)178-96(59-191)134(227)174-92(52-104(151)202)131(224)172-90(49-69(9)10)129(222)180-98(61-193)135(228)187-114(74(16)197)142(235)181-99)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)", + "name": "Calcitonin", + "names": [ + "Calcitonin", + "Cibacalcin" + ] + }, + { + "compound_id": "C06866", + "inchi": "InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+", + "name": "Capsaicin", + "names": [ + "Capsaicin" + ] + }, + { + "compound_id": "C06868", + "inchi": "InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)", + "name": "Carbamazepine", + "names": [ + "Carbamazepine" + ] + }, + { + "compound_id": "C06869", + "inchi": "InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1", + "name": "Carbenicillin", + "names": [ + "Carbenicillin" + ] + }, + { + "compound_id": "C06870", + "inchi": "InChI=1S/C10H14N2O4.C9H11NO4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2-4,12-14H,5,11H2,1H3,(H,15,16);1-2,4,6,11-12H,3,10H2,(H,13,14)/t;6-/m.0/s1", + "name": "Carbidopa-levodopa", + "names": [ + "Carbidopa-levodopa" + ] + }, + { + "compound_id": "C06871", + "inchi": "InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3", + "name": "Carbinoxamine", + "names": [ + "Carbinoxamine" + ] + }, + { + "compound_id": "C06872", + "inchi": "InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1", + "name": "Carboprost", + "names": [ + "Carboprost" + ] + }, + { + "compound_id": "C06873", + "inchi": "InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)", + "name": "Carmustine", + "names": [ + "BCNU", + "Bischloroethyl nitrosourea", + "Carmustine" + ] + }, + { + "compound_id": "C06874", + "inchi": "InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)", + "name": "Carteolol", + "names": [ + "Carteolol" + ] + }, + { + "compound_id": "C06875", + "inchi": "InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3", + "name": "Carvedilol", + "names": [ + "Carvedilol" + ] + }, + { + "compound_id": "C06876", + "inchi": "InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H", + "name": "Nitrosobenzene", + "names": [ + "Nitrosobenzene" + ] + }, + { + "compound_id": "C06877", + "inchi": "InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1", + "name": "Cefaclor", + "names": [ + "Cefaclor" + ] + }, + { + "compound_id": "C06878", + "inchi": "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1", + "name": "Cefadroxil", + "names": [ + "Cefadroxil" + ] + }, + { + "compound_id": "C06879", + "inchi": "InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1", + "name": "Cefamandole", + "names": [ + "Cefamandole" + ] + }, + { + "compound_id": "C06880", + "inchi": "InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1", + "name": "Cefazolin", + "names": [ + "Cefazolin" + ] + }, + { + "compound_id": "C06881", + "inchi": "InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1", + "name": "Cefixime", + "names": [ + "Cefixime" + ] + }, + { + "compound_id": "C06882", + "inchi": "InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1", + "name": "Cefonicid", + "names": [ + "Cefonicid" + ] + }, + { + "compound_id": "C06883", + "inchi": "InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1", + "name": "Cefoperazone", + "names": [ + "Cefoperazone" + ] + }, + { + "compound_id": "C06884", + "inchi": "InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1", + "name": "Ceforanide", + "names": [ + "Ceforanide" + ] + }, + { + "compound_id": "C06885", + "inchi": "InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1", + "name": "Cefotaxime", + "names": [ + "Cefotaxime" + ] + }, + { + "compound_id": "C06886", + "inchi": "InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1", + "name": "Cefotetan", + "names": [ + "Cefotetan" + ] + }, + { + "compound_id": "C06887", + "inchi": "InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1", + "name": "Cefoxitin", + "names": [ + "Cefoxitin" + ] + }, + { + "compound_id": "C06888", + "inchi": "InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1", + "name": "Cefprozil", + "names": [ + "Cefprozil", + "Cefprozil anhydrous" + ] + }, + { + "compound_id": "C06889", + "inchi": "InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1", + "name": "Ceftazidime", + "names": [ + "Ceftazidime" + ] + }, + { + "compound_id": "C06890", + "inchi": "InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1", + "name": "Ceftizoxime", + "names": [ + "Ceftizoxime" + ] + }, + { + "compound_id": "C06891", + "inchi": "InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4,6-9,11H/t2-,4+,6-/m1/s1", + "name": "D-2,3-Diketo 4-deoxy-epi-inositol", + "names": [ + "D-2,3-Diketo 4-deoxy-epi-inositol", + "DKDI" + ] + }, + { + "compound_id": "C06892", + "inchi": "InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3,6-8,12H,1-2H2,(H,10,11)/t3-,6+/m1/s1", + "name": "2-Deoxy-5-keto-D-gluconic acid", + "names": [ + "2-Deoxy-5-keto-D-gluconic acid", + "DKH" + ] + }, + { + "compound_id": "C06893", + "inchi": "InChI=1S/C6H11O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3,6-7,11H,1-2H2,(H,9,10)(H2,12,13,14)/t3-,6+/m1/s1", + "name": "2-Deoxy-5-keto-D-gluconic acid 6-phosphate", + "names": [ + "2-Deoxy-5-keto-D-gluconic acid 6-phosphate", + "6-Phospho-5-dehydro-2-deoxy-D-gluconate", + "DKHP" + ] + }, + { + "compound_id": "C06894", + "inchi": "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1", + "name": "Cefuroxime", + "names": [ + "Cefuroxime" + ] + }, + { + "compound_id": "C06895", + "inchi": "InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1", + "name": "Cephalexin", + "names": [ + "Cefalexin", + "Cephalexin" + ] + }, + { + "compound_id": "C06896", + "inchi": "InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1", + "name": "Cephapirin", + "names": [ + "Cephapirin" + ] + }, + { + "compound_id": "C06897", + "inchi": "InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1", + "name": "Cephradine", + "names": [ + "Cefradine", + "Cephradine" + ] + }, + { + "compound_id": "C06899", + "inchi": "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H", + "name": "Chloral hydrate", + "names": [ + "Chloral hydrate" + ] + }, + { + "compound_id": "C06900", + "inchi": "InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)", + "name": "Chlorambucil", + "names": [ + "Chlorambucil" + ] + }, + { + "compound_id": "C06902", + "inchi": "InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)", + "name": "Chlorhexidine", + "names": [ + "Chlorhexidine" + ] + }, + { + "compound_id": "C06905", + "inchi": "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3", + "name": "Chlorpheniramine", + "names": [ + "Chlorphenamine", + "Chlorpheniramine" + ] + }, + { + "compound_id": "C06906", + "inchi": "InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3", + "name": "Chlorpromazine", + "names": [ + "Chlorpromazine" + ] + }, + { + "compound_id": "C06909", + "inchi": "InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)", + "name": "Cidofovir", + "names": [ + "Cidofovir", + "Cidofovir anhydrous" + ] + }, + { + "compound_id": "C06910", + "inchi": "InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)", + "name": "Cisapride", + "names": [ + "Cisapride" + ] + }, + { + "compound_id": "C06911", + "inchi": "InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2", + "name": "Cisplatin", + "names": [ + "CDDP", + "Cisplatin", + "[PtCl2(NH3)2]", + "cis-Diamminedichloroplatinum(II)" + ] + }, + { + "compound_id": "C06912", + "inchi": "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1", + "name": "Clarithromycin", + "names": [ + "Clarithromycin" + ] + }, + { + "compound_id": "C06913", + "inchi": "InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1", + "name": "Clemastine", + "names": [ + "Clemastine" + ] + }, + { + "compound_id": "C06914", + "inchi": "InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14?,15+,16+,18+/m0/s1", + "name": "Clindamycin", + "names": [ + "Clindamycin" + ] + }, + { + "compound_id": "C06915", + "inchi": "InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+", + "name": "Clofazimine", + "names": [ + "Clofazimine" + ] + }, + { + "compound_id": "C06916", + "inchi": "InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3", + "name": "Clofibrate", + "names": [ + "Clofibrate" + ] + }, + { + "compound_id": "C06917", + "inchi": "InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-", + "name": "Clomiphene", + "names": [ + "Clomiphene" + ] + }, + { + "compound_id": "C06918", + "inchi": "InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3", + "name": "Clomipramine", + "names": [ + "Clomipramine" + ] + }, + { + "compound_id": "C06921", + "inchi": "InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)", + "name": "Clorazepate", + "names": [ + "Clorazepate", + "Clorazepic acid" + ] + }, + { + "compound_id": "C06922", + "inchi": "InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H", + "name": "Clotrimazole", + "names": [ + "Clotrimazole" + ] + }, + { + "compound_id": "C06923", + "inchi": "InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1", + "name": "Cloxacillin", + "names": [ + "Cloxacillin" + ] + }, + { + "compound_id": "C06924", + "inchi": "InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3", + "name": "Clozapine", + "names": [ + "Clozapine" + ] + }, + { + "compound_id": "C06925", + "inchi": "InChI=1S/C8H23N5.C3H5ClO/c9-1-3-11-5-7-13-8-6-12-4-2-10;4-1-3-2-5-3/h11-13H,1-10H2;3H,1-2H2", + "name": "Colestipol", + "names": [ + "Colestipol", + "Epichlorohydrin-tetraethylenepentamine polymer" + ] + }, + { + "compound_id": "C06926", + "inchi": "InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86?,88-,89-,90+,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,109+,110+,111+/m1/s1", + "name": "Cosyntropin", + "names": [ + "Cosyntropin" + ] + }, + { + "compound_id": "C06928", + "inchi": "InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)", + "name": "Cromolyn", + "names": [ + "Cromoglicic acid", + "Cromolyn" + ] + }, + { + "compound_id": "C06930", + "inchi": "InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3", + "name": "Cyclizine", + "names": [ + "Cyclizine" + ] + }, + { + "compound_id": "C06931", + "inchi": "InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3", + "name": "Cyclobenzaprine", + "names": [ + "Cyclobenzaprine" + ] + }, + { + "compound_id": "C06932", + "inchi": "InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3", + "name": "Cyclopentolate", + "names": [ + "Cyclopentolate" + ] + }, + { + "compound_id": "C06933", + "inchi": "InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2", + "name": "Cyclophosphamide", + "names": [ + "Cyclophosphamide", + "Cyclophosphamide hydrate" + ] + }, + { + "compound_id": "C06935", + "inchi": "InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3", + "name": "Cyproheptadine", + "names": [ + "Cyproheptadine" + ] + }, + { + "compound_id": "C06936", + "inchi": "InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+", + "name": "Dacarbazine", + "names": [ + "Dacarbazine" + ] + }, + { + "compound_id": "C06938", + "inchi": "InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1", + "name": "Danazol", + "names": [ + "Danazol" + ] + }, + { + "compound_id": "C06939", + "inchi": "InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+", + "name": "Dantrolene", + "names": [ + "Dantrolene" + ] + }, + { + "compound_id": "C06940", + "inchi": "InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)", + "name": "Deferoxamine", + "names": [ + "Deferoxamine" + ] + }, + { + "compound_id": "C06941", + "inchi": "InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3", + "name": "Delavirdine", + "names": [ + "Delavirdine" + ] + }, + { + "compound_id": "C06943", + "inchi": "InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3", + "name": "Desipramine", + "names": [ + "Desipramine" + ] + }, + { + "compound_id": "C06944", + "inchi": "InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)", + "name": "Desmopressin", + "names": [ + "Desmopressin" + ] + }, + { + "compound_id": "C06946", + "inchi": "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1", + "name": "Dexchlorpheniramine", + "names": [ + "Dexchlorpheniramine" + ] + }, + { + "compound_id": "C06947", + "inchi": "InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1", + "name": "Dextromethorphan", + "names": [ + "Dextromethorphan" + ] + }, + { + "compound_id": "C06948", + "inchi": "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3", + "name": "Diazepam", + "names": [ + "Diazepam" + ] + }, + { + "compound_id": "C06949", + "inchi": "InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)", + "name": "Diazoxide", + "names": [ + "Diazoxide" + ] + }, + { + "compound_id": "C06950", + "inchi": "InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1", + "name": "Dicloxacillin", + "names": [ + "Dicloxacillin" + ] + }, + { + "compound_id": "C06951", + "inchi": "InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3", + "name": "Dicyclomine", + "names": [ + "Dicyclomine", + "Dicycloverin" + ] + }, + { + "compound_id": "C06952", + "inchi": "InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)", + "name": "Cimetidine", + "names": [ + "Cimetidine" + ] + }, + { + "compound_id": "C06953", + "inchi": "InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1", + "name": "Didanosine", + "names": [ + "Didanosine" + ] + }, + { + "compound_id": "C06954", + "inchi": "InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3", + "name": "Diethylpropion", + "names": [ + "Amfepramone", + "Diethylpropion" + ] + }, + { + "compound_id": "C06955", + "inchi": "InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1", + "name": "Digitoxin", + "names": [ + "Digitoxin" + ] + }, + { + "compound_id": "C06956", + "inchi": "InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1", + "name": "Digoxin", + "names": [ + "Digoxin" + ] + }, + { + "compound_id": "C06957", + "inchi": "InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26?,27?,28+/m0/s1", + "name": "Dihydrotachysterol", + "names": [ + "Dihydrotachysterol" + ] + }, + { + "compound_id": "C06958", + "inchi": "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1", + "name": "Diltiazem", + "names": [ + "Diltiazem" + ] + }, + { + "compound_id": "C06960", + "inchi": "InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3", + "name": "Diphenhydramine", + "names": [ + "Diphenhydramine" + ] + }, + { + "compound_id": "C06961", + "inchi": "InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2", + "name": "Diphenidol", + "names": [ + "Diphenidol" + ] + }, + { + "compound_id": "C06963", + "inchi": "InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3", + "name": "Dipivefrin", + "names": [ + "Dipivefrin", + "Dipivefrine" + ] + }, + { + "compound_id": "C06965", + "inchi": "InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)", + "name": "Disopyramide", + "names": [ + "Disopyramide" + ] + }, + { + "compound_id": "C06967", + "inchi": "InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3", + "name": "Dobutamine", + "names": [ + "Dobutamine" + ] + }, + { + "compound_id": "C06969", + "inchi": "InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1", + "name": "Dorzolamide", + "names": [ + "Dorzolamide" + ] + }, + { + "compound_id": "C06970", + "inchi": "InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)", + "name": "Doxazosin", + "names": [ + "Doxazosin" + ] + }, + { + "compound_id": "C06971", + "inchi": "InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3", + "name": "Doxepin", + "names": [ + "Doxepin" + ] + }, + { + "compound_id": "C06972", + "inchi": "InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1", + "name": "Dronabinol", + "names": [ + "Dronabinol", + "THC", + "Tetrahydrocannabinol", + "delta9-Tetrahydrocannabinol" + ] + }, + { + "compound_id": "C06973", + "inchi": "InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1", + "name": "Doxycycline", + "names": [ + "Doxycycline" + ] + }, + { + "compound_id": "C06975", + "inchi": "InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1", + "name": "Echothiophate", + "names": [ + "Echothiophate" + ] + }, + { + "compound_id": "C06976", + "inchi": "InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1", + "name": "Edrophonium", + "names": [ + "Edrophonium" + ] + }, + { + "compound_id": "C06977", + "inchi": "InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1", + "name": "Enalapril", + "names": [ + "Enalapril" + ] + }, + { + "compound_id": "C06978", + "inchi": "InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)", + "name": "Encainide", + "names": [ + "Encainide" + ] + }, + { + "compound_id": "C06979", + "inchi": "InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)", + "name": "Enoxacin", + "names": [ + "Enoxacin" + ] + }, + { + "compound_id": "C06980", + "inchi": "InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3", + "name": "Esmolol", + "names": [ + "Esmolol" + ] + }, + { + "compound_id": "C06981", + "inchi": "InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2", + "name": "Estazolam", + "names": [ + "Estazolam" + ] + }, + { + "compound_id": "C06984", + "inchi": "InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1", + "name": "Ethambutol", + "names": [ + "Ethambutol" + ] + }, + { + "compound_id": "C06986", + "inchi": "InChI=1S/C11H8O4/c12-9-5-6-11(14-9)8-4-2-1-3-7(8)10(13)15-11/h1-4H,5-6H2", + "name": "Spirodilactone", + "names": [ + "Spirodilactone" + ] + }, + { + "compound_id": "C06988", + "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-", + "name": "beta-1,2,3,4,5,6-Hexachlorocyclohexane", + "names": [ + "beta-1,2,3,4,5,6-Hexachlorocyclohexane", + "beta-BHC", + "beta-Hexachlorocyclohexane", + "beta-Lindane" + ] + }, + { + "compound_id": "C06989", + "inchi": "InChI=1S/C6H6Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-6H", + "name": "delta-3,4,5,6-Tetrachlorocyclohexene", + "names": [ + "3,4,5,6-Tetrachlorocyclohexene", + "delta-3,4,5,6-Tetrachlorocyclohexene" + ] + }, + { + "compound_id": "C06990", + "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H", + "name": "Chlorobenzene", + "names": [ + "Benzene chloride", + "Chlorobenzene", + "Monochlorobenzene", + "Phenyl chloride" + ] + }, + { + "compound_id": "C06991", + "inchi": "InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)", + "name": "Etodolac", + "names": [ + "Etodolac" + ] + }, + { + "compound_id": "C06996", + "inchi": "InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3", + "name": "Fenfluramine", + "names": [ + "Fenfluramine" + ] + }, + { + "compound_id": "C06997", + "inchi": "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)", + "name": "Fenoprofen", + "names": [ + "Fenoprofen" + ] + }, + { + "compound_id": "C06999", + "inchi": "InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)", + "name": "Fexofenadine", + "names": [ + "4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid", + "Fexofenadine" + ] + }, + { + "compound_id": "C07001", + "inchi": "InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)", + "name": "Flecainide", + "names": [ + "Flecainide" + ] + }, + { + "compound_id": "C07004", + "inchi": "InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1", + "name": "Fludrocortisone", + "names": [ + "Fludrocortisone" + ] + }, + { + "compound_id": "C07005", + "inchi": "InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1", + "name": "Flunisolide", + "names": [ + "Flunisolide", + "Flunisolide anhydrous" + ] + }, + { + "compound_id": "C07006", + "inchi": "InChI=1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1", + "name": "Fluocinolone", + "names": [ + "Fluocinolone" + ] + }, + { + "compound_id": "C07007", + "inchi": "InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1", + "name": "Fluocinonide", + "names": [ + "Fluocinonide" + ] + }, + { + "compound_id": "C07010", + "inchi": "InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2", + "name": "Fluphenazine", + "names": [ + "Fluphenazine" + ] + }, + { + "compound_id": "C07014", + "inchi": "InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1", + "name": "Fluvastatin", + "names": [ + "Fluvastatin" + ] + }, + { + "compound_id": "C07016", + "inchi": "InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39?/m1/s1", + "name": "Fosinopril", + "names": [ + "Fosinopril" + ] + }, + { + "compound_id": "C07017", + "inchi": "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)", + "name": "Furosemide", + "names": [ + "Furosemide" + ] + }, + { + "compound_id": "C07020", + "inchi": "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)", + "name": "Gemfibrozil", + "names": [ + "Gemfibrozil" + ] + }, + { + "compound_id": "C07022", + "inchi": "InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)", + "name": "Glyburide", + "names": [ + "Glibenclamide", + "Glyburide" + ] + }, + { + "compound_id": "C07023", + "inchi": "InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+", + "name": "Granisetron", + "names": [ + "Granisetron" + ] + }, + { + "compound_id": "C07024", + "inchi": "InChI=1S/C10H14N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,7,10,17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,7-,10-/m1/s1", + "name": "3'-Keto-3'-deoxy-ATP", + "names": [ + "3'-Keto-3'-deoxy-ATP" + ] + }, + { + "compound_id": "C07025", + "inchi": "InChI=1S/C10H12N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,7,10,17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,7-,10-/m1/s1", + "name": "3'-Keto-3'-deoxy-AMP", + "names": [ + "3'-Keto-3'-deoxy-AMP" + ] + }, + { + "compound_id": "C07026", + "inchi": "InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1", + "name": "3'-Amino-3'-deoxy-AMP", + "names": [ + "3'-Amino-3'-deoxy-AMP" + ] + }, + { + "compound_id": "C07027", + "inchi": "InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(29)25-13-12(6-33-35(30,31)32)34-19(15(13)28)26-8-24-14-16(21)22-7-23-17(14)26/h1-4,7-8,11-13,15,19,27-28H,5-6,20H2,(H,25,29)(H2,21,22,23)(H2,30,31,32)/t11-,12+,13+,15+,19+/m0/s1", + "name": "N6,N6,O-Tridemethylpuromycin-5'-phosphate", + "names": [ + "N6,N6,O-Tridemethylpuromycin-5'-phosphate" + ] + }, + { + "compound_id": "C07028", + "inchi": "InChI=1S/C21H26N7O9P/c1-10(29)26-13(6-11-2-4-12(30)5-3-11)20(32)27-15-14(7-36-38(33,34)35)37-21(17(15)31)28-9-25-16-18(22)23-8-24-19(16)28/h2-5,8-9,13-15,17,21,30-31H,6-7H2,1H3,(H,26,29)(H,27,32)(H2,22,23,24)(H2,33,34,35)/t13-,14+,15+,17+,21+/m0/s1", + "name": "N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate", + "names": [ + "N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate" + ] + }, + { + "compound_id": "C07029", + "inchi": "InChI=1S/C22H28N7O9P/c1-11(30)27-14(7-12-3-5-13(31)6-4-12)21(33)28-16-15(8-37-39(34,35)36)38-22(18(16)32)29-10-26-17-19(23-2)24-9-25-20(17)29/h3-6,9-10,14-16,18,22,31-32H,7-8H2,1-2H3,(H,27,30)(H,28,33)(H,23,24,25)(H2,34,35,36)/t14-,15+,16+,18+,22+/m0/s1", + "name": "N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate", + "names": [ + "N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate" + ] + }, + { + "compound_id": "C07030", + "inchi": "InChI=1S/C23H30N7O9P/c1-12(31)27-15(8-13-4-6-14(32)7-5-13)22(34)28-17-16(9-38-40(35,36)37)39-23(19(17)33)30-11-26-18-20(29(2)3)24-10-25-21(18)30/h4-7,10-11,15-17,19,23,32-33H,8-9H2,1-3H3,(H,27,31)(H,28,34)(H2,35,36,37)/t15-,16+,17+,19+,23+/m0/s1", + "name": "N-Acetyl-O-demethylpuromycin-5'-phosphate", + "names": [ + "N-Acetyl-O-demethylpuromycin-5'-phosphate" + ] + }, + { + "compound_id": "C07031", + "inchi": "InChI=1S/C23H29N7O6/c1-12(32)27-15(8-13-4-6-14(33)7-5-13)22(35)28-17-16(9-31)36-23(19(17)34)30-11-26-18-20(29(2)3)24-10-25-21(18)30/h4-7,10-11,15-17,19,23,31,33-34H,8-9H2,1-3H3,(H,27,32)(H,28,35)/t15-,16+,17+,19+,23+/m0/s1", + "name": "N-Acetyl-O-demethylpuromycin", + "names": [ + "N-Acetyl-O-demethylpuromycin" + ] + }, + { + "compound_id": "C07032", + "inchi": "InChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1", + "name": "N-Acetylpuromycin", + "names": [ + "N-Acetylpuromycin" + ] + }, + { + "compound_id": "C07034", + "inchi": "InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+", + "name": "Guanabenz", + "names": [ + "Guanabenz" + ] + }, + { + "compound_id": "C07035", + "inchi": "InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)", + "name": "Guanadrel", + "names": [ + "Guanadrel" + ] + }, + { + "compound_id": "C07036", + "inchi": "InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)", + "name": "Guanethidine", + "names": [ + "Guanethidine" + ] + }, + { + "compound_id": "C07037", + "inchi": "InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)", + "name": "Guanfacine", + "names": [ + "Guanfacine" + ] + }, + { + "compound_id": "C07040", + "inchi": "InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)", + "name": "Hydralazine", + "names": [ + "Hydralazine" + ] + }, + { + "compound_id": "C07041", + "inchi": "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)", + "name": "Hydrochlorothiazide", + "names": [ + "Hydrochlorothiazide" + ] + }, + { + "compound_id": "C07042", + "inchi": "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1", + "name": "Hydromorphone", + "names": [ + "Hydromorphone" + ] + }, + { + "compound_id": "C07043", + "inchi": "InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)", + "name": "Hydroxychloroquine", + "names": [ + "Hydroxychloroquine" + ] + }, + { + "compound_id": "C07044", + "inchi": "InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)", + "name": "Hydroxyurea", + "names": [ + "Hydroxycarbamide", + "Hydroxyurea" + ] + }, + { + "compound_id": "C07045", + "inchi": "InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2", + "name": "Hydroxyzine", + "names": [ + "Hydroxyzine" + ] + }, + { + "compound_id": "C07047", + "inchi": "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)", + "name": "Ifosfamide", + "names": [ + "Ifosfamide", + "Isophosphamide" + ] + }, + { + "compound_id": "C07049", + "inchi": "InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3", + "name": "Imipramine", + "names": [ + "Imipramine" + ] + }, + { + "compound_id": "C07051", + "inchi": "InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1", + "name": "Indinavir", + "names": [ + "Indinavir" + ] + }, + { + "compound_id": "C07052", + "inchi": "InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?", + "name": "Ipratropium", + "names": [ + "Ipratropium" + ] + }, + { + "compound_id": "C07053", + "inchi": "InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3", + "name": "Isoetharine", + "names": [ + "Isoetharine" + ] + }, + { + "compound_id": "C07054", + "inchi": "InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)", + "name": "Isoniazid", + "names": [ + "Isoniazid" + ] + }, + { + "compound_id": "C07055", + "inchi": "InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1", + "name": "Isopropamide", + "names": [ + "Isopropamide" + ] + }, + { + "compound_id": "C07056", + "inchi": "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3", + "name": "Isoproterenol", + "names": [ + "Isoprenaline", + "Isoproterenol" + ] + }, + { + "compound_id": "C07062", + "inchi": "InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)", + "name": "Ketorolac", + "names": [ + "Ketorolac" + ] + }, + { + "compound_id": "C07063", + "inchi": "InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)", + "name": "Labetalol", + "names": [ + "Labetalol" + ] + }, + { + "compound_id": "C07064", + "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9?,10+,11?,12-/m1/s1", + "name": "Lactulose", + "names": [ + "Lactulose" + ] + }, + { + "compound_id": "C07065", + "inchi": "InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1", + "name": "Lamivudine", + "names": [ + "2',3'-Dideoxy-3'-thiacytidine", + "3TC", + "Lamivudine" + ] + }, + { + "compound_id": "C07069", + "inchi": "InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1", + "name": "Levallorphan", + "names": [ + "Levallorphan" + ] + }, + { + "compound_id": "C07070", + "inchi": "InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1", + "name": "Levamisole", + "names": [ + "Levamisole" + ] + }, + { + "compound_id": "C07072", + "inchi": "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)", + "name": "Losartan", + "names": [ + "Losartan" + ] + }, + { + "compound_id": "C07073", + "inchi": "InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)", + "name": "Lidocaine", + "names": [ + "Lidocaine" + ] + }, + { + "compound_id": "C07074", + "inchi": "InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1", + "name": "Lovastatin", + "names": [ + "Lovastatin" + ] + }, + { + "compound_id": "C07075", + "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+", + "name": "Lindane", + "names": [ + "1,2,3,4,5,6-Hexachlorocyclohexane", + "Benzene hexachloride", + "Lindane", + "gamma-BHC", + "gamma-Hexachlorocyclohexane" + ] + }, + { + "compound_id": "C07078", + "inchi": "InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)", + "name": "Lomefloxacin", + "names": [ + "Lomefloxacin" + ] + }, + { + "compound_id": "C07079", + "inchi": "InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)", + "name": "Lomustine", + "names": [ + "1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea", + "Lomustine" + ] + }, + { + "compound_id": "C07080", + "inchi": "InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3", + "name": "Loperamide", + "names": [ + "Loperamide" + ] + }, + { + "compound_id": "C07083", + "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2", + "name": "Styrene", + "names": [ + "Phenylethylene", + "Styrene" + ] + }, + { + "compound_id": "C07084", + "inchi": "InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,7-10H,1H2", + "name": "Styrene cis-glycol", + "names": [ + "Styrene cis-glycol" + ] + }, + { + "compound_id": "C07085", + "inchi": "InChI=1S/C8H8O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,9-10H,1H2", + "name": "3-Vinylcatechol", + "names": [ + "3-Vinylcatechol" + ] + }, + { + "compound_id": "C07086", + "inchi": "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)", + "name": "Phenylacetic acid", + "names": [ + "Benzeneacetic acid", + "Benzylformic acid", + "Phenylacetate", + "Phenylacetic acid" + ] + }, + { + "compound_id": "C07087", + "inchi": "InChI=1S/C8H8O4/c1-2-6(9)4-3-5-7(10)8(11)12/h2-5,10H,1H2,(H,11,12)/b4-3+,7-5-", + "name": "2-Hydroxy-6-oxoocta-2,4,7-trienoate", + "names": [ + "2-Hydroxy-6-oxoocta-2,4,7-trienoate" + ] + }, + { + "compound_id": "C07088", + "inchi": "InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)", + "name": "4-Chlorophenoxyacetate", + "names": [ + "4-CPA", + "4-Chlorophenoxyacetate" + ] + }, + { + "compound_id": "C07089", + "inchi": "InChI=1S/C6H5ClO4/c7-4(3-8)1-2-5(9)6(10)11/h1-3,9H,(H,10,11)/b4-1+,5-2+", + "name": "5-Chloro-2-hydroxymuconic semialdehyde", + "names": [ + "5-Chloro-2-hydroxymuconic semialdehyde" + ] + }, + { + "compound_id": "C07090", + "inchi": "InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2", + "name": "Protoanemonin", + "names": [ + "4-Methylenebut-2-en-4-olide", + "Protoanemonin", + "cis-4-Methylenebut-2-en-4-olide" + ] + }, + { + "compound_id": "C07091", + "inchi": "InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2-", + "name": "cis-Acetylacrylate", + "names": [ + "cis-Acetylacrylate" + ] + }, + { + "compound_id": "C07092", + "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H", + "name": "1,4-Dichlorobenzene", + "names": [ + "1,4-Dichlorobenzene", + "p-Dichlorobenzene" + ] + }, + { + "compound_id": "C07093", + "inchi": "InChI=1S/C6H6Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H", + "name": "3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene", + "names": [ + "3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene" + ] + }, + { + "compound_id": "C07094", + "inchi": "InChI=1S/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H", + "name": "3,6-Dichlorocatechol", + "names": [ + "3,6-Dichlorocatechol" + ] + }, + { + "compound_id": "C07095", + "inchi": "InChI=1S/C6H4Cl2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-1+,4-2+", + "name": "2,5-Dichloro-cis,cis-muconate", + "names": [ + "2,5-Dichloro-cis,cis-muconate" + ] + }, + { + "compound_id": "C07096", + "inchi": "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H", + "name": "2,6-Dichlorophenol", + "names": [ + "2,6-Dichlorophenol" + ] + }, + { + "compound_id": "C07097", + "inchi": "InChI=1S/C6H4Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H", + "name": "2,6-Dichlorohydroquinone", + "names": [ + "2,6-Dichlorohydroquinone" + ] + }, + { + "compound_id": "C07098", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", + "name": "2,4,6-Trichlorophenol", + "names": [ + "2,4,6-Trichlorophenol" + ] + }, + { + "compound_id": "C07099", + "inchi": "InChI=1S/C6H3Cl3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1,10-11H", + "name": "2,3,6-Trichlorohydroquinone", + "names": [ + "2,3,6-Trichlorohydroquinone" + ] + }, + { + "compound_id": "C07100", + "inchi": "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)", + "name": "2,4,5-Trichlorophenoxyacetic acid", + "names": [ + "2,4,5-T", + "2,4,5-Trichlorophenoxyacetic acid" + ] + }, + { + "compound_id": "C07101", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H", + "name": "2,4,5-Trichlorophenol", + "names": [ + "2,4,5-Trichlorophenol" + ] + }, + { + "compound_id": "C07102", + "inchi": "InChI=1S/C6H5ClO3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,8-10H", + "name": "5-Chloro-1,2,4-trihydroxybenzene", + "names": [ + "5-Chloro-1,2,4-trihydroxybenzene" + ] + }, + { + "compound_id": "C07103", + "inchi": "InChI=1S/C6H4O3/c7-4-1-2-5(8)6(9)3-4/h1-3,9H", + "name": "2-Hydroxy-1,4-benzoquinone", + "names": [ + "2-Hydroxy-1,4-benzoquinone", + "Hydroxybenzoquinone" + ] + }, + { + "compound_id": "C07104", + "inchi": "InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3", + "name": "Loxapine", + "names": [ + "Loxapine" + ] + }, + { + "compound_id": "C07105", + "inchi": "InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)", + "name": "Lys-vasopressin", + "names": [ + "8-L-Lysine vasopressin", + "LVP", + "Lypressin", + "Lys-vasopressin" + ] + }, + { + "compound_id": "C07106", + "inchi": "InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)", + "name": "Mafenide", + "names": [ + "Mafenide" + ] + }, + { + "compound_id": "C07107", + "inchi": "InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3", + "name": "Maprotiline", + "names": [ + "Maprotiline" + ] + }, + { + "compound_id": "C07108", + "inchi": "InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-", + "name": "Tamoxifen", + "names": [ + "Tamoxifen" + ] + }, + { + "compound_id": "C07111", + "inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3", + "name": "Ethylbenzene", + "names": [ + "Ethylbenzene", + "Ethylbenzol", + "Ethylenzene", + "Phenylethane" + ] + }, + { + "compound_id": "C07112", + "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3", + "name": "1-Phenylethanol", + "names": [ + "(r)-(+)-1-phenyl ethanol", + ")-1-Phenyl ethanol", + ")-1-phenyl ethanol", + "1-Phenylethanol", + "Methylphenyl carbinol", + "alpha-Methylbenzyl alcohol" + ] + }, + { + "compound_id": "C07113", + "inchi": "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3", + "name": "Acetophenone", + "names": [ + "1-Phenyl-1-ethanone", + "1-Phenylethanone", + "1-phenyl-1-ethanone", + "Acetophenone", + "Acetylbenzene", + "Methyl phenyl ketone", + "Phenyl methyl ketone" + ] + }, + { + "compound_id": "C07114", + "inchi": "InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)", + "name": "3-Oxo-3-phenylpropanoate", + "names": [ + "3-Oxo-3-phenylpropanoate", + "3-Oxo-3-phenylpropionate", + "3-Oxo-3-phenylpropionic acid", + "Benzoylacetate" + ] + }, + { + "compound_id": "C07115", + "inchi": "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3", + "name": "Nitrogen mustard", + "names": [ + "Chlormethine", + "Mechlorethamine", + "Nitrogen mustard" + ] + }, + { + "compound_id": "C07116", + "inchi": "InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3", + "name": "Meclizine", + "names": [ + "Meclizine", + "Meclozine" + ] + }, + { + "compound_id": "C07117", + "inchi": "InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)", + "name": "Meclofenamate", + "names": [ + "Meclofenamate", + "Meclofenamic acid" + ] + }, + { + "compound_id": "C07118", + "inchi": "InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-7,15-16,19,23-25,29,41-42H,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25?,29-/m1/s1", + "name": "Benzoyl acetyl-CoA", + "names": [ + "Benzoyl acetyl coenzyme A", + "Benzoyl acetyl-CoA" + ] + }, + { + "compound_id": "C07119", + "inchi": "InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1", + "name": "Medroxyprogesterone", + "names": [ + "Medroxyprogesterone" + ] + }, + { + "compound_id": "C07120", + "inchi": "InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1", + "name": "Megestrol", + "names": [ + "Megestrol" + ] + }, + { + "compound_id": "C07122", + "inchi": "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1", + "name": "Melphalan", + "names": [ + "Melphalan" + ] + }, + { + "compound_id": "C07123", + "inchi": "InChI=1S/C8H10O4/c1-2-6(9)4-3-5-7(10)8(11)12/h3-5,10H,2H2,1H3,(H,11,12)/b4-3-,7-5+", + "name": "2-Hydroxy-6-oxo-octa-2,4-dienoate", + "names": [ + "2-Hydroxy-6-oxo-octa-2,4-dienoate" + ] + }, + { + "compound_id": "C07124", + "inchi": "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1", + "name": "Tamsulosin", + "names": [ + "Tamsulosin" + ] + }, + { + "compound_id": "C07125", + "inchi": "InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3", + "name": "Temazepam", + "names": [ + "Temazepam" + ] + }, + { + "compound_id": "C07126", + "inchi": "InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3", + "name": "Menadiol", + "names": [ + "Menadiol" + ] + }, + { + "compound_id": "C07127", + "inchi": "InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)", + "name": "Terazosin", + "names": [ + "Terazosin", + "Terazosine" + ] + }, + { + "compound_id": "C07128", + "inchi": "InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3", + "name": "Meperidine", + "names": [ + "Meperidine", + "Pethidine" + ] + }, + { + "compound_id": "C07129", + "inchi": "InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3", + "name": "Terbutaline", + "names": [ + "Terbutaline" + ] + }, + { + "compound_id": "C07130", + "inchi": "InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)", + "name": "Theophylline", + "names": [ + "1,3-Dimethylxanthine", + "Theophylline" + ] + }, + { + "compound_id": "C07131", + "inchi": "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)", + "name": "Thiabendazole", + "names": [ + "Thiabendazole" + ] + }, + { + "compound_id": "C07132", + "inchi": "InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3", + "name": "Thiethylperazine", + "names": [ + "Ethylthioperazine", + "Thiethylperazine" + ] + }, + { + "compound_id": "C07139", + "inchi": "InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1", + "name": "Ticarcillin", + "names": [ + "Ticarcillin" + ] + }, + { + "compound_id": "C07140", + "inchi": "InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2", + "name": "Ticlopidine", + "names": [ + "Ticlopidine" + ] + }, + { + "compound_id": "C07141", + "inchi": "InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1", + "name": "Timolol", + "names": [ + "Timolol" + ] + }, + { + "compound_id": "C07142", + "inchi": "InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)", + "name": "Tocainide", + "names": [ + "Tocainide" + ] + }, + { + "compound_id": "C07143", + "inchi": "InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3", + "name": "Mesoridazine", + "names": [ + "Mesoridazine" + ] + }, + { + "compound_id": "C07144", + "inchi": "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3", + "name": "Metaproterenol", + "names": [ + "Metaproterenol", + "Orciprenaline" + ] + }, + { + "compound_id": "C07146", + "inchi": "InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1", + "name": "Metaraminol", + "names": [ + "Metaraminol" + ] + }, + { + "compound_id": "C07147", + "inchi": "InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)", + "name": "Tolazoline", + "names": [ + "4,5-Dihydro-2-(phenylmethyl)-1H-imidazole", + "Tolazoline" + ] + }, + { + "compound_id": "C07148", + "inchi": "InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)", + "name": "Tolbutamide", + "names": [ + "Tolbutamide" + ] + }, + { + "compound_id": "C07149", + "inchi": "InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)", + "name": "Tolmetin", + "names": [ + "Tolmetin" + ] + }, + { + "compound_id": "C07151", + "inchi": "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)", + "name": "Metformin", + "names": [ + "Metformin" + ] + }, + { + "compound_id": "C07153", + "inchi": "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1", + "name": "Tramadol", + "names": [ + "Tramadol" + ] + }, + { + "compound_id": "C07155", + "inchi": "InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m1/s1", + "name": "Tranylcypromine", + "names": [ + "Tranylcypromine" + ] + }, + { + "compound_id": "C07156", + "inchi": "InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2", + "name": "Trazodone", + "names": [ + "Trazodone" + ] + }, + { + "compound_id": "C07159", + "inchi": "InChI=1/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/f/h12H", + "name": "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate", + "names": [ + "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate" + ] + }, + { + "compound_id": "C07160", + "inchi": "InChI=1S/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17,19,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,19-,23-,24-,25?,29-/m1/s1", + "name": "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA", + "names": [ + "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl coenzyme A", + "2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA" + ] + }, + { + "compound_id": "C07163", + "inchi": "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3", + "name": "Methadone", + "names": [ + "Methadone" + ] + }, + { + "compound_id": "C07164", + "inchi": "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1", + "name": "Methamphetamine", + "names": [ + "Methamphetamine" + ] + }, + { + "compound_id": "C07165", + "inchi": "InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)", + "name": "Triclofos", + "names": [ + "Triclofos" + ] + }, + { + "compound_id": "C07166", + "inchi": "InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2", + "name": "Trientine", + "names": [ + "Trientine", + "Triethylenetetramine" + ] + }, + { + "compound_id": "C07168", + "inchi": "InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3", + "name": "Trifluoperazine", + "names": [ + "Trifluoperazine" + ] + }, + { + "compound_id": "C07171", + "inchi": "InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2", + "name": "Trihexyphenidyl", + "names": [ + "Trihexyphenidyl" + ] + }, + { + "compound_id": "C07172", + "inchi": "InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3", + "name": "Trimeprazine", + "names": [ + "Alimemazine", + "Methylpromazine", + "Trimeprazine" + ] + }, + { + "compound_id": "C07174", + "inchi": "InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1", + "name": "Trimethaphan", + "names": [ + "Trimethaphan" + ] + }, + { + "compound_id": "C07175", + "inchi": "InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3", + "name": "Methdilazine", + "names": [ + "Methdilazine" + ] + }, + { + "compound_id": "C07177", + "inchi": "InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1", + "name": "Methicillin", + "names": [ + "Methicillin" + ] + }, + { + "compound_id": "C07178", + "inchi": "InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)", + "name": "Trimethobenzamide", + "names": [ + "Trimethobenzamide" + ] + }, + { + "compound_id": "C07180", + "inchi": "InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3", + "name": "Tripelennamine", + "names": [ + "Tripelennamine" + ] + }, + { + "compound_id": "C07182", + "inchi": "InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2", + "name": "Tromethamine", + "names": [ + "2-Amino-2-(hydroxymethyl)-1,3-propanediol", + "Trometamol", + "Tromethamine" + ] + }, + { + "compound_id": "C07184", + "inchi": "InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1", + "name": "Valacyclovir", + "names": [ + "BW 256U87", + "Valacyclovir", + "Valacyclovir hydrochloride" + ] + }, + { + "compound_id": "C07185", + "inchi": "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)", + "name": "Valproic acid", + "names": [ + "Valproic acid" + ] + }, + { + "compound_id": "C07187", + "inchi": "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3", + "name": "Venlafaxine", + "names": [ + "Venlafaxine" + ] + }, + { + "compound_id": "C07188", + "inchi": "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3", + "name": "Verapamil", + "names": [ + "Verapamil" + ] + }, + { + "compound_id": "C07189", + "inchi": "InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2", + "name": "2-Hydroxyacetophenone", + "names": [ + "2-Hydroxyacetophenone", + "omega-Hydroxyacetophenone" + ] + }, + { + "compound_id": "C07190", + "inchi": "InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)", + "name": "Thiamazole", + "names": [ + "Methimazole", + "Thiamazole" + ] + }, + { + "compound_id": "C07192", + "inchi": "InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1", + "name": "Methotrimeprazine", + "names": [ + "Levomepromazine", + "Methotrimeprazine" + ] + }, + { + "compound_id": "C07194", + "inchi": "InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1", + "name": "Methyldopa anhydrous", + "names": [ + "Methyldopa", + "Methyldopa anhydrous" + ] + }, + { + "compound_id": "C07195", + "inchi": "InChI=1S/C10H13N5O4.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H2/t4-,6-,7?,10-;/m1./s1", + "name": "Vidarabine", + "names": [ + "9-beta-D-Arabino furanosyl adenine monohydrate", + "Vidarabine" + ] + }, + { + "compound_id": "C07196", + "inchi": "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3", + "name": "Methylphenidate", + "names": [ + "Methylphenidate" + ] + }, + { + "compound_id": "C07198", + "inchi": "InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1", + "name": "Methyltestosterone", + "names": [ + "Methyltestosterone" + ] + }, + { + "compound_id": "C07199", + "inchi": "InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1", + "name": "Methysergide", + "names": [ + "Methysergide" + ] + }, + { + "compound_id": "C07201", + "inchi": "InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1", + "name": "Vinblastine", + "names": [ + "Vinblastine" + ] + }, + { + "compound_id": "C07202", + "inchi": "InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3", + "name": "Metoprolol", + "names": [ + "Metoprolol" + ] + }, + { + "compound_id": "C07203", + "inchi": "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3", + "name": "Metronidazole", + "names": [ + "Metronidazole" + ] + }, + { + "compound_id": "C07204", + "inchi": "InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1", + "name": "Vincristine", + "names": [ + "22-Oxovincaleukoblastine", + "Vincristine" + ] + }, + { + "compound_id": "C07205", + "inchi": "InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3", + "name": "Metyrapone", + "names": [ + "Metyrapone" + ] + }, + { + "compound_id": "C07206", + "inchi": "InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)", + "name": "Zafirlukast", + "names": [ + "Zafirlukast" + ] + }, + { + "compound_id": "C07207", + "inchi": "InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1", + "name": "Zalcitabine", + "names": [ + "2',3'-Dideoxycytidine", + "Zalcitabine" + ] + }, + { + "compound_id": "C07208", + "inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", + "name": "m-Xylene", + "names": [ + "1,3-Dimethylbenzene", + "1,3-Xylene", + "m-Xylene" + ] + }, + { + "compound_id": "C07209", + "inchi": "InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3", + "name": "3-Methylbenzaldehyde", + "names": [ + "3-Methylbenzaldehyde", + "m-Tolualdehyde" + ] + }, + { + "compound_id": "C07210", + "inchi": "InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1", + "name": "Zidovudine", + "names": [ + "3'-Azido-3'-deoxythymidine", + "AZT", + "Zidovudine" + ] + }, + { + "compound_id": "C07211", + "inchi": "InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)", + "name": "m-Methylbenzoate", + "names": [ + "3-methylbenzoic acid", + "beta-Bethylbenzoic acid", + "m-Methylbenzoate", + "m-Toluic Acid", + "m-Toluylic acid" + ] + }, + { + "compound_id": "C07212", + "inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3", + "name": "o-Xylene", + "names": [ + "o-Dimethylbenzene", + "o-Methyltoluene", + "o-Xylene" + ] + }, + { + "compound_id": "C07213", + "inchi": "InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3", + "name": "2-Methylbenzyl alcohol", + "names": [ + "2-Methylbenzyl alcohol" + ] + }, + { + "compound_id": "C07214", + "inchi": "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3", + "name": "2-Methylbenzaldehyde", + "names": [ + "2-Formyltoluene", + "2-Methylbenzaldehyde", + "o-Tolualdehyde", + "o-Toluic aldehyde" + ] + }, + { + "compound_id": "C07215", + "inchi": "InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)", + "name": "o-Toluate", + "names": [ + "2-Methylbenzoic acid", + "o-Methylbenzoate", + "o-Toluate", + "o-Toluic Acid" + ] + }, + { + "compound_id": "C07216", + "inchi": "InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3", + "name": "3-Methylbenzyl alcohol", + "names": [ + "3-Methylbenzyl alcohol" + ] + }, + { + "compound_id": "C07218", + "inchi": "InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1", + "name": "Zolmitriptan", + "names": [ + "311C90", + "Zolmitriptan" + ] + }, + { + "compound_id": "C07219", + "inchi": "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3", + "name": "Zolpidem", + "names": [ + "Zolpidem" + ] + }, + { + "compound_id": "C07220", + "inchi": "InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3", + "name": "Mexiletine", + "names": [ + "Mexiletine" + ] + }, + { + "compound_id": "C07221", + "inchi": "InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1", + "name": "Mezlin", + "names": [ + "Mezlin", + "Mezlocillin" + ] + }, + { + "compound_id": "C07222", + "inchi": "InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1", + "name": "Mibefradil", + "names": [ + "Mibefradil" + ] + }, + { + "compound_id": "C07224", + "inchi": "InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)", + "name": "Milrinone", + "names": [ + "Milrinone" + ] + }, + { + "compound_id": "C07225", + "inchi": "InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1", + "name": "Minocycline", + "names": [ + "Minocycline" + ] + }, + { + "compound_id": "C07228", + "inchi": "InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2", + "name": "Raloxifene", + "names": [ + "LY 139481", + "Raloxifene" + ] + }, + { + "compound_id": "C07230", + "inchi": "InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3", + "name": "Molindone", + "names": [ + "Molindone" + ] + }, + { + "compound_id": "C07231", + "inchi": "InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1", + "name": "Moxalactam", + "names": [ + "Latamoxef", + "Moxalactam" + ] + }, + { + "compound_id": "C07235", + "inchi": "InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1", + "name": "Rifabutin", + "names": [ + "Rifabutin" + ] + }, + { + "compound_id": "C07236", + "inchi": "InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3", + "name": "Rimantadine", + "names": [ + "Rimantadine" + ] + }, + { + "compound_id": "C07239", + "inchi": "InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1", + "name": "Ritodrine", + "names": [ + "Ritodrine" + ] + }, + { + "compound_id": "C07240", + "inchi": "InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1", + "name": "Ritonavir", + "names": [ + "Ritonavir" + ] + }, + { + "compound_id": "C07241", + "inchi": "InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2", + "name": "Salmeterol", + "names": [ + "Salmeterol" + ] + }, + { + "compound_id": "C07245", + "inchi": "InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1", + "name": "Selegiline", + "names": [ + "Selegiline" + ] + }, + { + "compound_id": "C07246", + "inchi": "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1", + "name": "Sertraline", + "names": [ + "Sertraline" + ] + }, + { + "compound_id": "C07247", + "inchi": "InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3", + "name": "Sibutramine", + "names": [ + "Sibutramine" + ] + }, + { + "compound_id": "C07250", + "inchi": "InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1", + "name": "Nafcillin", + "names": [ + "Nafcillin" + ] + }, + { + "compound_id": "C07251", + "inchi": "InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1", + "name": "Nalbuphine", + "names": [ + "Nalbuphine" + ] + }, + { + "compound_id": "C07252", + "inchi": "InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1", + "name": "Naloxone", + "names": [ + "Naloxone" + ] + }, + { + "compound_id": "C07253", + "inchi": "InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1", + "name": "Naltrexone", + "names": [ + "Naltrexone" + ] + }, + { + "compound_id": "C07254", + "inchi": "InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1", + "name": "Nandrolone", + "names": [ + "Nandrolone" + ] + }, + { + "compound_id": "C07255", + "inchi": "InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)", + "name": "Nedocromil", + "names": [ + "Nedocromil" + ] + }, + { + "compound_id": "C07256", + "inchi": "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3", + "name": "Nefazodone", + "names": [ + "Nefazodone" + ] + }, + { + "compound_id": "C07257", + "inchi": "InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1", + "name": "Nelfinavir", + "names": [ + "Nelfinavir" + ] + }, + { + "compound_id": "C07258", + "inchi": "InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1", + "name": "Neostigmine", + "names": [ + "Neostigmine" + ] + }, + { + "compound_id": "C07259", + "inchi": "InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)", + "name": "Sildenafil", + "names": [ + "Sildenafil" + ] + }, + { + "compound_id": "C07261", + "inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3", + "name": "Octamethyltrisiloxane", + "names": [ + "Octamethyltrisiloxane" + ] + }, + { + "compound_id": "C07263", + "inchi": "InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)", + "name": "Nevirapine", + "names": [ + "Nevirapine" + ] + }, + { + "compound_id": "C07264", + "inchi": "InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3", + "name": "Nicardipine", + "names": [ + "Nicardipine" + ] + }, + { + "compound_id": "C07266", + "inchi": "InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3", + "name": "Nifedipine", + "names": [ + "Nifedipine" + ] + }, + { + "compound_id": "C07267", + "inchi": "InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3", + "name": "Nimodipine", + "names": [ + "Nimodipine" + ] + }, + { + "compound_id": "C07268", + "inchi": "InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+", + "name": "Nitrofurantoin", + "names": [ + "Nitrofurantoin" + ] + }, + { + "compound_id": "C07269", + "inchi": "InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;+1;-1", + "name": "Nitroprusside", + "names": [ + "Nitroprusside" + ] + }, + { + "compound_id": "C07270", + "inchi": "InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+", + "name": "Nizatidine", + "names": [ + "Nizatidine" + ] + }, + { + "compound_id": "C07271", + "inchi": "InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1", + "name": "Limonene-1,2-epoxide", + "names": [ + "(4R)-Limonene-1,2-epoxide", + "Limonene oxide", + "Limonene-1,2-epoxide" + ] + }, + { + "compound_id": "C07272", + "inchi": "InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)", + "name": "Maleimide", + "names": [ + "2,5-Pyrroledione", + "Maleimide" + ] + }, + { + "compound_id": "C07273", + "inchi": "InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)", + "name": "Succinimide", + "names": [ + "2,5-Diketopyrrolidine", + "2,5-Pyrrolidinedione", + "Butanimide", + "Succinimide" + ] + }, + { + "compound_id": "C07274", + "inchi": "InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3", + "name": "Nortriptyline", + "names": [ + "Nortriptyline" + ] + }, + { + "compound_id": "C07275", + "inchi": "InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)", + "name": "Glutarimide", + "names": [ + "2,6-Diketopiperidine", + "Glutarimide", + "Piperidine-2,6-dione" + ] + }, + { + "compound_id": "C07276", + "inchi": "InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1", + "name": "Limonene-1,2-diol", + "names": [ + "(1S,2S,4R)-Limonene-1,2-diol", + "(1S,2S,4R)-Menth-8-ene-1,2-diol", + "Limonene-1,2-diol" + ] + }, + { + "compound_id": "C07277", + "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1", + "name": "dTDP-D-fucose", + "names": [ + "dTDP-D-fucose" + ] + }, + { + "compound_id": "C07278", + "inchi": "InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1", + "name": "beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine", + "names": [ + "beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-galactosamine", + "beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine" + ] + }, + { + "compound_id": "C07279", + "inchi": "InChI=1S/C2H8AsNO3/c4-2-1-3(5,6)7/h1-2,4H2,(H2,5,6,7)", + "name": "2-Aminoethylarsonate", + "names": [ + "2-Aminoethylarsonate", + "2-Aminoethylarsonic acid" + ] + }, + { + "compound_id": "C07280", + "inchi": "InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)", + "name": "Rhodanine", + "names": [ + "2-Thioxo-4-thiazolidinone", + "Rhodanine" + ] + }, + { + "compound_id": "C07281", + "inchi": null, + "name": "[eIF5A-precursor]-lysine", + "names": [ + "[eIF5A-precursor]-lysine", + "[enzyme]-lysine" + ] + }, + { + "compound_id": "C07282", + "inchi": null, + "name": "[eIF5A-precursor]-deoxyhypusine", + "names": [ + "Protein N6-(4-Aminobutyl)-L-lysine", + "[eIF5A-precursor]-deoxyhypusine" + ] + }, + { + "compound_id": "C07283", + "inchi": "InChI=1S/C18H32O16/c19-1-4-13(11(26)16(29)34-15(4)28)32-18-12(27)14(8(23)6(3-21)31-18)33-17-10(25)9(24)7(22)5(2-20)30-17/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13+,14+,15+,16-,17+,18+/m1/s1", + "name": "(1->3)-beta-D-Galactopyranans", + "names": [ + "(1->3)-beta-D-Galactans", + "(1->3)-beta-D-Galactopyranans" + ] + }, + { + "compound_id": "C07285", + "inchi": "InChI=1S/C11H20O10/c12-1-4-6(15)9(8(17)10(18)20-4)21-11-7(16)5(14)3(13)2-19-11/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9?,10?,11?/m0/s1", + "name": "Arabino-galactose", + "names": [ + "Arabino-galactose" + ] + }, + { + "compound_id": "C07287", + "inchi": "InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3", + "name": "Sulcatone", + "names": [ + "6-Methyl-5-hepten-2-one", + "6-Methylhept-5-en-2-one", + "Methylheptenone", + "Sulcatone" + ] + }, + { + "compound_id": "C07288", + "inchi": "InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3", + "name": "Sulcatol", + "names": [ + "6-Methyl-5-hepten-2-ol", + "6-Methylhept-5-en-2-ol", + "Sulcatol" + ] + }, + { + "compound_id": "C07289", + "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-", + "name": "Crepenynate", + "names": [ + "(9Z)-Octadec-9-en-12-ynoate", + "(Z)-9-Octadecen-12-ynoic acid", + "Crepenynate", + "Crepenynic acid" + ] + }, + { + "compound_id": "C07290", + "inchi": "InChI=1S/C21H20O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-10,22-24H,6H2,1-3H3", + "name": "7-O-Methylluteone", + "names": [ + "7-O-Methylluteone" + ] + }, + { + "compound_id": "C07291", + "inchi": null, + "name": "Dihydrofurano derivative", + "names": [ + "Dihydrofurano derivative" + ] + }, + { + "compound_id": "C07292", + "inchi": null, + "name": "Glutaredoxin", + "names": [ + "Glutaredoxin" + ] + }, + { + "compound_id": "C07293", + "inchi": null, + "name": "Glutaredoxin disulfide", + "names": [ + "Glutaredoxin disulfide" + ] + }, + { + "compound_id": "C07294", + "inchi": "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)", + "name": "Methylarsonate", + "names": [ + "MAA", + "Methylarsonate", + "Methylarsonic acid" + ] + }, + { + "compound_id": "C07295", + "inchi": "InChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3", + "name": "Methanearsonous acid", + "names": [ + "Methanearsonous acid", + "Methylarsonite" + ] + }, + { + "compound_id": "C07296", + "inchi": "InChI=1S/C37H66N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h21-26,30-32,36,47-48H,7-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t24?,25?,26-,30-,31-,32?,36-/m1/s1", + "name": "4,8,12-Trimethyltridecanoyl-CoA", + "names": [ + "4,8,12-Trimethyltridecanoyl-CoA" + ] + }, + { + "compound_id": "C07297", + "inchi": "InChI=1S/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-27,29,32-34,38,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t25?,26?,27?,29-,32-,33-,34?,38-/m1/s1", + "name": "3-Oxopristanoyl-CoA", + "names": [ + "3-Oxopristanoyl-CoA" + ] + }, + { + "compound_id": "C07299", + "inchi": null, + "name": "Cutin", + "names": [ + "Cutin" + ] + }, + { + "compound_id": "C07300", + "inchi": null, + "name": "Cutin monomer", + "names": [ + "Cutin monomer" + ] + }, + { + "compound_id": "C07301", + "inchi": "InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)/t7-/m1/s1", + "name": "(R)-Mandelamide", + "names": [ + "(R)-Mandelamide" + ] + }, + { + "compound_id": "C07302", + "inchi": "InChI=1S/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-17(39)16-4-5-19(53-3)18(40)10-16)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10,14-15,17,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t17?,20-,24-,25-,26?,30-/m1/s1", + "name": "3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA", + "names": [ + "3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA" + ] + }, + { + "compound_id": "C07303", + "inchi": "InChI=1S/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-18(40)16-4-5-17(39)19(10-16)53-3)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10,14-15,18,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,20-,24-,25-,26?,30-/m1/s1", + "name": "4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA", + "names": [ + "3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA", + "4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA" + ] + }, + { + "compound_id": "C07304", + "inchi": "InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1", + "name": "Deacetylisoipecoside", + "names": [ + "Deacetylisoipecoside" + ] + }, + { + "compound_id": "C07305", + "inchi": null, + "name": "Products of ATP breakdown", + "names": [ + "Products of ATP breakdown" + ] + }, + { + "compound_id": "C07306", + "inchi": "InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)", + "name": "Octreotide", + "names": [ + "D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2->7)-disulfide", + "Octreotide" + ] + }, + { + "compound_id": "C07307", + "inchi": "InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1", + "name": "Deacetylipecoside", + "names": [ + "Deacetylipecoside" + ] + }, + { + "compound_id": "C07308", + "inchi": "InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)", + "name": "Cacodylate", + "names": [ + "Cacodylate", + "Dimethylarsinate" + ] + }, + { + "compound_id": "C07309", + "inchi": "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3", + "name": "Sotalol", + "names": [ + "Sotalol" + ] + }, + { + "compound_id": "C07310", + "inchi": "InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1", + "name": "Spironolactone", + "names": [ + "Spironolactone" + ] + }, + { + "compound_id": "C07311", + "inchi": "InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1", + "name": "Stanozolol", + "names": [ + "Androstanazole", + "Stanozolol" + ] + }, + { + "compound_id": "C07312", + "inchi": "InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1", + "name": "Stavudine", + "names": [ + "2',3'-Didehydro-3'-deoxythimidine", + "Sanilvudine", + "Stavudine", + "d4T" + ] + }, + { + "compound_id": "C07313", + "inchi": "InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1", + "name": "Streptozocin", + "names": [ + "Streptozocin", + "Zanosar" + ] + }, + { + "compound_id": "C07314", + "inchi": null, + "name": "Sucralfate", + "names": [ + "Sucralfate" + ] + }, + { + "compound_id": "C07315", + "inchi": "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)", + "name": "Sulfamethoxazole", + "names": [ + "Sulfamethoxazole" + ] + }, + { + "compound_id": "C07316", + "inchi": "InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+", + "name": "Sulfasalazine", + "names": [ + "Salazosulfapyridine", + "Salicylazosulfapyridine", + "Sulfasalazine" + ] + }, + { + "compound_id": "C07317", + "inchi": "InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2", + "name": "Sulfinpyrazone", + "names": [ + "Sulfinpyrazone", + "Sulfoxyphenylpyrazolidine" + ] + }, + { + "compound_id": "C07318", + "inchi": "InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3", + "name": "Sulfisoxazole", + "names": [ + "Sulfisoxazole" + ] + }, + { + "compound_id": "C07319", + "inchi": "InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3", + "name": "Sumatriptan", + "names": [ + "Sumatriptan" + ] + }, + { + "compound_id": "C07320", + "inchi": "InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)", + "name": "Suprofen", + "names": [ + "Suprofen" + ] + }, + { + "compound_id": "C07321", + "inchi": "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)", + "name": "Ofloxacin", + "names": [ + "Ofloxacin" + ] + }, + { + "compound_id": "C07322", + "inchi": "InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3", + "name": "Olanzapine", + "names": [ + "Olanzapine" + ] + }, + { + "compound_id": "C07323", + "inchi": "InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+", + "name": "Olsalazine", + "names": [ + "Olsalazine" + ] + }, + { + "compound_id": "C07324", + "inchi": "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)", + "name": "Omeprazole", + "names": [ + "Omeprazole" + ] + }, + { + "compound_id": "C07325", + "inchi": "InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3", + "name": "Ondansetron", + "names": [ + "Ondansetron" + ] + }, + { + "compound_id": "C07326", + "inchi": "InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1", + "name": "1,5-Anhydro-D-glucitol", + "names": [ + "1,5-Anhydro-D-glucitol", + "1,5-Anhydro-D-sorbitol", + "1,5-Anhydroglucitol" + ] + }, + { + "compound_id": "C07327", + "inchi": "InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H", + "name": "3-Pyridinaldehyde", + "names": [ + "3-Pyridinaldehyde", + "3-Pyridinecarboxaldehyde", + "Nicotinaldehyde", + "Pyridine-3-aldehyde" + ] + }, + { + "compound_id": "C07328", + "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3", + "name": "3-Methylbutanol", + "names": [ + "3-Methylbutanol", + "Isoamyl alcohol", + "Isopentyl alcohol" + ] + }, + { + "compound_id": "C07329", + "inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3", + "name": "3-Methylbutanal", + "names": [ + "3-Methylbutanal", + "Isovaleraldehyde" + ] + }, + { + "compound_id": "C07330", + "inchi": "InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3", + "name": "3-Methyl-2-butenal", + "names": [ + "3,3-Dimethyl-acrylaldehyde", + "3-Methyl-2-butenal", + "3-Methylbut-2-enal", + "Prenal", + "Senecialdehyde" + ] + }, + { + "compound_id": "C07331", + "inchi": "InChI=1S/COS/c2-1-3", + "name": "Carbonyl sulfide", + "names": [ + "Carbonyl sulfide" + ] + }, + { + "compound_id": "C07332", + "inchi": "InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2", + "name": "Dibenzylsuccinate", + "names": [ + "Dibenzylsuccinate" + ] + }, + { + "compound_id": "C07334", + "inchi": "InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1", + "name": "Oxacillin", + "names": [ + "Oxacillin" + ] + }, + { + "compound_id": "C07335", + "inchi": "InChI=1S/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1", + "name": "2-Amino-3-oxo-4-phosphonooxybutyrate", + "names": [ + "(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate", + "2-Amino-3-oxo-4-phosphonooxybutyrate", + "L-2-Amino-3-oxo-4-phosphonooxybutyrate" + ] + }, + { + "compound_id": "C07336", + "inchi": "InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2", + "name": "Quazepam", + "names": [ + "Quazepam" + ] + }, + { + "compound_id": "C07338", + "inchi": "InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1", + "name": "(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid", + "names": [ + "(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate", + "(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid" + ] + }, + { + "compound_id": "C07339", + "inchi": "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)", + "name": "Quinacrine", + "names": [ + "Mepacrine", + "Quinacrine" + ] + }, + { + "compound_id": "C07340", + "inchi": "InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1", + "name": "Quinapril hydrochloride", + "names": [ + "Quinapril hydrochloride" + ] + }, + { + "compound_id": "C07341", + "inchi": "InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3", + "name": "Oxamniquine", + "names": [ + "Oxamniquine" + ] + }, + { + "compound_id": "C07342", + "inchi": "InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)", + "name": "Quinethazone", + "names": [ + "Quinethazone" + ] + }, + { + "compound_id": "C07343", + "inchi": "InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35?,39-/m1/s1", + "name": "2-Hydroxyphytanoyl-CoA", + "names": [ + "2-Hydroxyphytanoyl-CoA" + ] + }, + { + "compound_id": "C07344", + "inchi": "InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18-,19+,20+/m0/s1", + "name": "3-Hydroxyquinine", + "names": [ + "3-Hydroxyquinine" + ] + }, + { + "compound_id": "C07345", + "inchi": "InChI=1S/C5H14NO2/c1-6(2,3)4-5(7)8/h5,7-8H,4H2,1-3H3/q+1", + "name": "Betaine aldehyde hydrate", + "names": [ + "Betaine aldehyde hydrate" + ] + }, + { + "compound_id": "C07346", + "inchi": "InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1", + "name": "Oxandrolone", + "names": [ + "Oxandrolone" + ] + }, + { + "compound_id": "C07347", + "inchi": "InChI=1S/C26H38N7O17P3S2/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)15-4-3-8-54-15)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(35)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-14,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", + "name": "Thiophene-2-carbonyl-CoA", + "names": [ + "Thiophene-2-carbonyl-CoA" + ] + }, + { + "compound_id": "C07348", + "inchi": "InChI=1S/C26H38N7O18P3S2/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-55-25(39)14-3-4-16(35)56-14)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(36)24(49-13)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-13,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t13-,18-,19-,20?,24-/m1/s1", + "name": "5-Hydroxythiophene-2-carbonyl-CoA", + "names": [ + "5-Hydroxythiophene-2-carbonyl-CoA" + ] + }, + { + "compound_id": "C07349", + "inchi": "InChI=1S/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)/t16-,19+,25-,27?/m1/s1", + "name": "3'-Demethylstaurosporine", + "names": [ + "3'-Demethoxy-3'-hydroxystaurosporine", + "3'-Demethylstaurosporine" + ] + }, + { + "compound_id": "C07350", + "inchi": "InChI=1S/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3", + "name": "Phlorisovalerophenone", + "names": [ + "3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one", + "Phlorisovalerophenone" + ] + }, + { + "compound_id": "C07351", + "inchi": "InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3", + "name": "Phlorisobutyrophenone", + "names": [ + "2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone", + "Phlorisobutyrophenone" + ] + }, + { + "compound_id": "C07354", + "inchi": "InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)/b7-6-,13-10-/t16-,17-/m0/s1", + "name": "(7S,8S)-DiHODE", + "names": [ + "(7S,8S)-DiHODE", + "(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoate", + "(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid" + ] + }, + { + "compound_id": "C07355", + "inchi": "InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/b13-10-/t16-,17+/m0/s1", + "name": "(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid", + "names": [ + "(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid", + "(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate", + "(Z)-(7S,8S)-Dihydroxyoctadeca-9-enoic acid" + ] + }, + { + "compound_id": "C07356", + "inchi": "InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)", + "name": "Oxaprozin", + "names": [ + "Oxaprozin" + ] + }, + { + "compound_id": "C07357", + "inchi": "InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h3-4,6-7,10,13,16-17,19-20H,2,5,8-9,11-12,14-15H2,1H3,(H,21,22)/b4-3-,7-6-,13-10-/t16-,17+/m0/s1", + "name": "(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid", + "names": [ + "(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoate", + "(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid" + ] + }, + { + "compound_id": "C07359", + "inchi": "InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)", + "name": "Oxazepam", + "names": [ + "Oxazepam" + ] + }, + { + "compound_id": "C07360", + "inchi": "InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3", + "name": "Oxybutynin", + "names": [ + "Oxybutynin" + ] + }, + { + "compound_id": "C07361", + "inchi": "InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1", + "name": "Piperacillin sodium", + "names": [ + "Piperacillin sodium", + "Pipracil" + ] + }, + { + "compound_id": "C07362", + "inchi": "InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2", + "name": "Pipobroman", + "names": [ + "Pipobroman" + ] + }, + { + "compound_id": "C07363", + "inchi": "InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)", + "name": "Oxymetazoline", + "names": [ + "Afrin", + "Oxymetazoline" + ] + }, + { + "compound_id": "C07366", + "inchi": "InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2", + "name": "Prazepam", + "names": [ + "Prazepam" + ] + }, + { + "compound_id": "C07367", + "inchi": "InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2", + "name": "Praziquantel", + "names": [ + "Praziquantel" + ] + }, + { + "compound_id": "C07368", + "inchi": "InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)", + "name": "Prazosin", + "names": [ + "Prazosin" + ] + }, + { + "compound_id": "C07369", + "inchi": "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1", + "name": "Prednisolone", + "names": [ + "Prednisolone" + ] + }, + { + "compound_id": "C07370", + "inchi": "InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1", + "name": "Prednisone", + "names": [ + "Prednisone" + ] + }, + { + "compound_id": "C07371", + "inchi": "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)", + "name": "Primidone", + "names": [ + "5-Phenyl-5-ethyl-Hexahydropyrimidine-4,6-dione", + "Primidone" + ] + }, + { + "compound_id": "C07372", + "inchi": "InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)", + "name": "Probenecid", + "names": [ + "Probenecid" + ] + }, + { + "compound_id": "C07373", + "inchi": "InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3", + "name": "Probucol", + "names": [ + "Probucol" + ] + }, + { + "compound_id": "C07375", + "inchi": "InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3", + "name": "Procaine", + "names": [ + "Procaine" + ] + }, + { + "compound_id": "C07376", + "inchi": "InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H", + "name": "Procarbazine hydrochloride", + "names": [ + "Procarbazine hydrochloride" + ] + }, + { + "compound_id": "C07378", + "inchi": "InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2", + "name": "Procyclidine", + "names": [ + "Procyclidine" + ] + }, + { + "compound_id": "C07379", + "inchi": "InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3", + "name": "Promazine", + "names": [ + "Promazine" + ] + }, + { + "compound_id": "C07381", + "inchi": "InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3", + "name": "Propafenone", + "names": [ + "Propafenone" + ] + }, + { + "compound_id": "C07383", + "inchi": "InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3", + "name": "Proparacaine", + "names": [ + "Proparacaine", + "Proxymetacaine" + ] + }, + { + "compound_id": "C07384", + "inchi": "InChI=1S/C20H24N2OS.ClH/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20;/h6-12,14H,5,13H2,1-4H3;1H", + "name": "Propiomazine hydrochloride", + "names": [ + "Largon", + "Propiomazine hydrochloride" + ] + }, + { + "compound_id": "C07389", + "inchi": "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+", + "name": "Pyrantel pamoate", + "names": [ + "Pyrantel pamoate" + ] + }, + { + "compound_id": "C07391", + "inchi": "InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)", + "name": "Pyrimethamine", + "names": [ + "Pyrimethamine" + ] + }, + { + "compound_id": "C07393", + "inchi": "InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1", + "name": "Oxymetholone", + "names": [ + "Oxymetholone" + ] + }, + { + "compound_id": "C07394", + "inchi": "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1", + "name": "Paclitaxel", + "names": [ + "Paclitaxel" + ] + }, + { + "compound_id": "C07395", + "inchi": "InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)", + "name": "Pamidronate", + "names": [ + "Pamidronate", + "Pamidronic acid" + ] + }, + { + "compound_id": "C07397", + "inchi": "InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2", + "name": "Quetiapine", + "names": [ + "2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol", + "Quetiapine" + ] + }, + { + "compound_id": "C07398", + "inchi": "InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1", + "name": "Quinapril", + "names": [ + "Quinapril" + ] + }, + { + "compound_id": "C07400", + "inchi": "InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1", + "name": "Pralidoxime", + "names": [ + "Pralidoxime" + ] + }, + { + "compound_id": "C07401", + "inchi": "InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)", + "name": "Procainamide", + "names": [ + "Procainamide" + ] + }, + { + "compound_id": "C07402", + "inchi": "InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)", + "name": "Procarbazine", + "names": [ + "Procarbazine" + ] + }, + { + "compound_id": "C07403", + "inchi": "InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3", + "name": "Prochlorperazine", + "names": [ + "Prochlorperazine" + ] + }, + { + "compound_id": "C07404", + "inchi": "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3", + "name": "Promethazine", + "names": [ + "10-(2-Dimethylaminopropyl)phenothiazine", + "Promethazine" + ] + }, + { + "compound_id": "C07405", + "inchi": "InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3", + "name": "Propiomazine", + "names": [ + "Propiomazine" + ] + }, + { + "compound_id": "C07406", + "inchi": "InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22-/m0/s1", + "name": "Propoxyphene", + "names": [ + "Propoxyphene" + ] + }, + { + "compound_id": "C07407", + "inchi": "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3", + "name": "Propranolol", + "names": [ + "Propranolol" + ] + }, + { + "compound_id": "C07408", + "inchi": "InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3", + "name": "Protriptyline", + "names": [ + "Protriptyline" + ] + }, + { + "compound_id": "C07409", + "inchi": "InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+", + "name": "Pyrantel", + "names": [ + "Pyrantel" + ] + }, + { + "compound_id": "C07410", + "inchi": "InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1", + "name": "Pyridostigmine", + "names": [ + "Pyridostigmine" + ] + }, + { + "compound_id": "C07411", + "inchi": "InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3", + "name": "Paramethadione", + "names": [ + "Paramethadione" + ] + }, + { + "compound_id": "C07412", + "inchi": "InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1", + "name": "Pyrvinium", + "names": [ + "Pyrvinium" + ] + }, + { + "compound_id": "C07413", + "inchi": "InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1", + "name": "Paramethasone", + "names": [ + "Paramethasone" + ] + }, + { + "compound_id": "C07414", + "inchi": "InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3", + "name": "Pargyline", + "names": [ + "Pargyline" + ] + }, + { + "compound_id": "C07415", + "inchi": "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1", + "name": "Paroxetine", + "names": [ + "Paroxetine" + ] + }, + { + "compound_id": "C07416", + "inchi": "InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1", + "name": "Penbutolol", + "names": [ + "Penbutolol" + ] + }, + { + "compound_id": "C07417", + "inchi": "InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)", + "name": "Penciclovir", + "names": [ + "Penciclovir" + ] + }, + { + "compound_id": "C07418", + "inchi": "InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1", + "name": "Penicillamine", + "names": [ + "Penicillamine" + ] + }, + { + "compound_id": "C07420", + "inchi": "InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)", + "name": "Pentamidine", + "names": [ + "Pentamidine" + ] + }, + { + "compound_id": "C07421", + "inchi": "InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1", + "name": "Pentazocine", + "names": [ + "Pentazocine" + ] + }, + { + "compound_id": "C07422", + "inchi": "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", + "name": "Pentobarbital", + "names": [ + "5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione", + "Pentobarbital" + ] + }, + { + "compound_id": "C07423", + "inchi": "InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1", + "name": "Pentobarbital sodium", + "names": [ + "Pentobarbital sodium" + ] + }, + { + "compound_id": "C07424", + "inchi": "InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3", + "name": "Pentoxifylline", + "names": [ + "Pentoxifylline" + ] + }, + { + "compound_id": "C07425", + "inchi": "InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1", + "name": "Pergolide", + "names": [ + "Pergolide" + ] + }, + { + "compound_id": "C07427", + "inchi": "InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2", + "name": "Perphenazine", + "names": [ + "4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol", + "Perphenazine" + ] + }, + { + "compound_id": "C07428", + "inchi": "InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)", + "name": "Phenacemide", + "names": [ + "Phenacemide" + ] + }, + { + "compound_id": "C07429", + "inchi": "InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+", + "name": "Phenazopyridine", + "names": [ + "3-(Phenylazo)-2,6-pyridinediamine", + "Phenazopyridine" + ] + }, + { + "compound_id": "C07430", + "inchi": "InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2", + "name": "Phenelzine", + "names": [ + "Phenelzine" + ] + }, + { + "compound_id": "C07431", + "inchi": "InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)", + "name": "Phenelzine sulfate", + "names": [ + "Phenelzine sulfate" + ] + }, + { + "compound_id": "C07432", + "inchi": "InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3", + "name": "Phenmetrazine", + "names": [ + "Phenmetrazine" + ] + }, + { + "compound_id": "C07433", + "inchi": "InChI=1S/C11H15NO.ClH/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H", + "name": "Phenmetrazine hydrochloride", + "names": [ + "Phenmetrazine hydrochloride", + "Preludin" + ] + }, + { + "compound_id": "C07434", + "inchi": "InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)", + "name": "Phenobarbital", + "names": [ + "Phenobarbital" + ] + }, + { + "compound_id": "C07435", + "inchi": "InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3", + "name": "Phenoxybenzamine", + "names": [ + "Phenoxybenzamine" + ] + }, + { + "compound_id": "C07436", + "inchi": "InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H", + "name": "Phenoxybenzamine hydrochloride", + "names": [ + "Phenoxybenzamine hydrochloride" + ] + }, + { + "compound_id": "C07437", + "inchi": "InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3", + "name": "Phensuximide", + "names": [ + "Phensuximide" + ] + }, + { + "compound_id": "C07438", + "inchi": "InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3", + "name": "Phentermine", + "names": [ + "Phentermine", + "alpha,alpha-Dimethylphenethylamine" + ] + }, + { + "compound_id": "C07440", + "inchi": "InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3", + "name": "Phenylbutazone", + "names": [ + "Phenbutazone", + "Phenylbutazone" + ] + }, + { + "compound_id": "C07441", + "inchi": "InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1", + "name": "Phenylephrine", + "names": [ + "Phenylephrine" + ] + }, + { + "compound_id": "C07443", + "inchi": "InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)", + "name": "Phenytoin", + "names": [ + "Phenytoin" + ] + }, + { + "compound_id": "C07445", + "inchi": "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3", + "name": "Pindolol", + "names": [ + "Pindolol" + ] + }, + { + "compound_id": "C07446", + "inchi": "InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)", + "name": "Isonicotinic acid", + "names": [ + "Isonicotinic acid" + ] + }, + { + "compound_id": "C07447", + "inchi": "InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)", + "name": "Acetylhydrazine", + "names": [ + "Acetylhydrazine" + ] + }, + { + "compound_id": "C07448", + "inchi": "InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)", + "name": "Burimamide", + "names": [ + "Burimamide" + ] + }, + { + "compound_id": "C07449", + "inchi": "InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)", + "name": "Metiamide", + "names": [ + "Metiamide" + ] + }, + { + "compound_id": "C07450", + "inchi": "InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1", + "name": "Dexmedetomidine", + "names": [ + "Dexmedetomidine" + ] + }, + { + "compound_id": "C07451", + "inchi": "InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)", + "name": "Moxonidine", + "names": [ + "Moxonidine" + ] + }, + { + "compound_id": "C07452", + "inchi": "InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)", + "name": "Tizanidine", + "names": [ + "Tizanidine" + ] + }, + { + "compound_id": "C07453", + "inchi": "InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3", + "name": "Epinine", + "names": [ + "Deoxyepinephrine", + "Epinine" + ] + }, + { + "compound_id": "C07454", + "inchi": "InChI=1S/C6H11N5/c7-6(8)10-2-1-5-3-9-4-11-5/h3-4H,1-2H2,(H,9,11)(H4,7,8,10)", + "name": "N-Guanylhistamine", + "names": [ + "N-Guanylhistamine" + ] + }, + { + "compound_id": "C07455", + "inchi": "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2", + "name": "Nitroglycerin", + "names": [ + "Glyceryl trinitrate", + "Nitroglycerin" + ] + }, + { + "compound_id": "C07456", + "inchi": "InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1", + "name": "Isosorbide dinitrate", + "names": [ + "Isosorbide dinitrate" + ] + }, + { + "compound_id": "C07457", + "inchi": "InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3", + "name": "Amyl nitrite", + "names": [ + "Amyl nitrite", + "Isoamyl nitrite" + ] + }, + { + "compound_id": "C07458", + "inchi": "InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)", + "name": "Sulfanilamide", + "names": [ + "Prontosil album", + "Sulfamine", + "Sulfanilamide" + ] + }, + { + "compound_id": "C07459", + "inchi": "InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)", + "name": "Dichlorphenamide", + "names": [ + "Dichlorphenamide", + "Diclofenamide" + ] + }, + { + "compound_id": "C07460", + "inchi": "InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)", + "name": "Chloraminophenamide", + "names": [ + "4-Amino-6-chloro-1,3-benzenedisulfonamide", + "Chloraminophenamide" + ] + }, + { + "compound_id": "C07461", + "inchi": "InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)", + "name": "Chlorothiazide", + "names": [ + "Chlorothiazide" + ] + }, + { + "compound_id": "C07463", + "inchi": "InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3", + "name": "Terfenadine", + "names": [ + "Terfenadine" + ] + }, + { + "compound_id": "C07464", + "inchi": "InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)", + "name": "Ketanserin", + "names": [ + "Ketanserin" + ] + }, + { + "compound_id": "C07465", + "inchi": "InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29-,30+/m1/s1", + "name": "Remikiren", + "names": [ + "Remikiren", + "Ro 42-5892" + ] + }, + { + "compound_id": "C07466", + "inchi": "InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)27(16-23-9-7-6-8-10-23)40-34(46)29(18-25-20-37-21-38-25)41-33(45)28(39-31(43)19-35(3,4)36)17-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,36H2,1-5H3,(H,37,38)(H,39,43)(H,40,46)(H,41,45)/t27-,28-,29-,30-,32+/m0/s1", + "name": "Enalkiren", + "names": [ + "A 64662", + "Enalkiren" + ] + }, + { + "compound_id": "C07467", + "inchi": "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+", + "name": "Eprosartan", + "names": [ + "Eprosartan" + ] + }, + { + "compound_id": "C07468", + "inchi": "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)", + "name": "Candesartan", + "names": [ + "Candesartan" + ] + }, + { + "compound_id": "C07469", + "inchi": "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)", + "name": "Irbesartan", + "names": [ + "Irbesartan" + ] + }, + { + "compound_id": "C07471", + "inchi": "InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1", + "name": "Methacholine", + "names": [ + "Acetyl-beta-methylcholine", + "Methacholine" + ] + }, + { + "compound_id": "C07473", + "inchi": "InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1", + "name": "Muscarine", + "names": [ + "Muscarine" + ] + }, + { + "compound_id": "C07474", + "inchi": "InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1", + "name": "Pilocarpine", + "names": [ + "Pilocarpine" + ] + }, + { + "compound_id": "C07475", + "inchi": "InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1", + "name": "Lobeline", + "names": [ + "(-)-Lobeline", + "Lobeline" + ] + }, + { + "compound_id": "C07478", + "inchi": "InChI=1S/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-3,8H,1H3,(H,9,10)(H,11,12)/b4-2-,5-3+", + "name": "2-Hydroxy-5-methyl-cis,cis-muconate", + "names": [ + "2-Hydroxy-5-methyl-cis,cis-muconate" + ] + }, + { + "compound_id": "C07479", + "inchi": "InChI=1S/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-4H,1H3,(H,9,10)(H,11,12)/b3-2-", + "name": "2-Oxo-5-methyl-cis-muconate", + "names": [ + "2-Oxo-5-methyl-cis-muconate" + ] + }, + { + "compound_id": "C07480", + "inchi": "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)", + "name": "Theobromine", + "names": [ + "3,7-Dimethylxanthine", + "Theobromine" + ] + }, + { + "compound_id": "C07481", + "inchi": "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3", + "name": "Caffeine", + "names": [ + "1,3,7-Trimethylxanthine", + "Caffeine" + ] + }, + { + "compound_id": "C07482", + "inchi": "InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1", + "name": "Montelukast", + "names": [ + "Montelukast" + ] + }, + { + "compound_id": "C07484", + "inchi": "InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3", + "name": "Zaleplon", + "names": [ + "Zaleplon" + ] + }, + { + "compound_id": "C07485", + "inchi": "InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2", + "name": "Oxotremorine", + "names": [ + "Oxotremorine" + ] + }, + { + "compound_id": "C07486", + "inchi": "InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)", + "name": "Nordazepam", + "names": [ + "7-Chloro-1,3-dihydro-5-phenyl-(2H)-1,4-benzodiazepin-2-one", + "Desmethyldiazepam", + "Nordazepam" + ] + }, + { + "compound_id": "C07487", + "inchi": "InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)", + "name": "Nitrazepam", + "names": [ + "Nitrazepam" + ] + }, + { + "compound_id": "C07488", + "inchi": "InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1", + "name": "DMPP", + "names": [ + "1,1-Dimethyl-4-phenylpiperazinium Iodide", + "DMPP", + "Dimethylphenylpiperazinium iodide" + ] + }, + { + "compound_id": "C07489", + "inchi": "InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)", + "name": "Glutethimide", + "names": [ + "2-Ethyl-2-phenylglutarimide", + "Glutethimide" + ] + }, + { + "compound_id": "C07490", + "inchi": "InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2", + "name": "Trichloroethanol", + "names": [ + "2,2,2-Trichloroethanol", + "Trichloroethanol" + ] + }, + { + "compound_id": "C07491", + "inchi": "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)", + "name": "Carbaryl", + "names": [ + "Carbaril", + "Carbaryl" + ] + }, + { + "compound_id": "C07492", + "inchi": "InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)", + "name": "Oxcarbazepine", + "names": [ + "Oxcarbazepine" + ] + }, + { + "compound_id": "C07493", + "inchi": "InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)", + "name": "10-Hydroxycarbazepine", + "names": [ + "10-Hydroxycarbamazepine", + "10-Hydroxycarbazepine", + "GP 47779" + ] + }, + { + "compound_id": "C07494", + "inchi": "InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3", + "name": "Soman", + "names": [ + "Soman" + ] + }, + { + "compound_id": "C07495", + "inchi": "InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)", + "name": "Dihydroxycarbazepine", + "names": [ + "10,11-Dihydro-10,11-dihydroxy-5H-dibenzazepine-5-carboxamide", + "10,11-Dihydroxycarbamazepine", + "Dihydroxycarbazepine" + ] + }, + { + "compound_id": "C07496", + "inchi": "InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)", + "name": "Carbamazepine-10,11-epoxide", + "names": [ + "Carbamazepine epoxide", + "Carbamazepine-10,11-epoxide" + ] + }, + { + "compound_id": "C07497", + "inchi": "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3", + "name": "Malathion", + "names": [ + "Malathion" + ] + }, + { + "compound_id": "C07498", + "inchi": "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3", + "name": "Malaoxon", + "names": [ + "Malaoxon" + ] + }, + { + "compound_id": "C07499", + "inchi": "InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)", + "name": "Phenylethylmalonamide", + "names": [ + "2-Phenyl-2-ethylmalondiamide", + "PEMA", + "Phenylethylmalonamide" + ] + }, + { + "compound_id": "C07500", + "inchi": "InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)", + "name": "Vigabatrin", + "names": [ + "Vigabatrin" + ] + }, + { + "compound_id": "C07501", + "inchi": "InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)", + "name": "Felbamate", + "names": [ + "Felbamate" + ] + }, + { + "compound_id": "C07502", + "inchi": "InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1", + "name": "Topiramate", + "names": [ + "Topiramate" + ] + }, + { + "compound_id": "C07503", + "inchi": "InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1", + "name": "Tiagabine", + "names": [ + "Tiagabine" + ] + }, + { + "compound_id": "C07504", + "inchi": "InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)", + "name": "Zonisamide", + "names": [ + "Zonisamide" + ] + }, + { + "compound_id": "C07505", + "inchi": "InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)", + "name": "Ethosuximide", + "names": [ + "Ethosuximide" + ] + }, + { + "compound_id": "C07506", + "inchi": "InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1", + "name": "Propantheline", + "names": [ + "Propantheline" + ] + }, + { + "compound_id": "C07508", + "inchi": "InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)", + "name": "Pirenzepine", + "names": [ + "Pirenzepine" + ] + }, + { + "compound_id": "C07509", + "inchi": "InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+", + "name": "Diacetylmonoxime", + "names": [ + "2,3-Butanedione monoxime", + "Diacetylmonoxime" + ] + }, + { + "compound_id": "C07510", + "inchi": "InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2", + "name": "Hexamethonium", + "names": [ + "Hexamethonium" + ] + }, + { + "compound_id": "C07511", + "inchi": "InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3", + "name": "Mecamylamine", + "names": [ + "Mecamylamine", + "Versamine" + ] + }, + { + "compound_id": "C07512", + "inchi": "InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1", + "name": "Tetraethylammonium", + "names": [ + "Tetraethylammonium" + ] + }, + { + "compound_id": "C07513", + "inchi": "InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3", + "name": "Methoxamine", + "names": [ + "Methoxamine" + ] + }, + { + "compound_id": "C07514", + "inchi": "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3", + "name": "Amphetamine", + "names": [ + "Amphetamine" + ] + }, + { + "compound_id": "C07515", + "inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H", + "name": "Halothane", + "names": [ + "Halothane" + ] + }, + { + "compound_id": "C07516", + "inchi": "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H", + "name": "Enflurane", + "names": [ + "Enflurane" + ] + }, + { + "compound_id": "C07517", + "inchi": "InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3", + "name": "Methoxyflurane", + "names": [ + "Methoxyflurane" + ] + }, + { + "compound_id": "C07518", + "inchi": "InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H", + "name": "Isoflurane", + "names": [ + "Isoflurane" + ] + }, + { + "compound_id": "C07519", + "inchi": "InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H", + "name": "Desflurane", + "names": [ + "Desflurane" + ] + }, + { + "compound_id": "C07520", + "inchi": "InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2", + "name": "Sevoflurane", + "names": [ + "Sevoflurane" + ] + }, + { + "compound_id": "C07521", + "inchi": "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", + "name": "Thiopental", + "names": [ + "Thiopental" + ] + }, + { + "compound_id": "C07522", + "inchi": "InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3", + "name": "Etomidate", + "names": [ + "1-(1-Phenylethyl)-imidazole-5-carboxylic acid, ethyl ester", + "Etomidate" + ] + }, + { + "compound_id": "C07523", + "inchi": "InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3", + "name": "Propofol", + "names": [ + "2,6-Diisopropylphenol", + "Propofol" + ] + }, + { + "compound_id": "C07524", + "inchi": "InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3", + "name": "Midazolam", + "names": [ + "Midazolam" + ] + }, + { + "compound_id": "C07525", + "inchi": "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3", + "name": "Ketamine", + "names": [ + "Ketamine" + ] + }, + { + "compound_id": "C07526", + "inchi": "InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3", + "name": "Tetracaine", + "names": [ + "Amethocaine", + "Tetracaine" + ] + }, + { + "compound_id": "C07527", + "inchi": "InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3", + "name": "Benzocaine", + "names": [ + "Benzocaine", + "Ethyl aminobenzoate" + ] + }, + { + "compound_id": "C07528", + "inchi": "InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)", + "name": "Mepivacaine", + "names": [ + "Mepivacaine" + ] + }, + { + "compound_id": "C07529", + "inchi": "InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)", + "name": "Bupivacaine", + "names": [ + "Bupivacaine", + "Marcaine" + ] + }, + { + "compound_id": "C07530", + "inchi": "InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)", + "name": "Etidocaine", + "names": [ + "Etidocaine" + ] + }, + { + "compound_id": "C07531", + "inchi": "InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)", + "name": "Prilocaine", + "names": [ + "Prilocaine" + ] + }, + { + "compound_id": "C07532", + "inchi": "InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1", + "name": "Ropivacaine", + "names": [ + "Ropivacaine" + ] + }, + { + "compound_id": "C07533", + "inchi": "InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1", + "name": "Prenalterol", + "names": [ + "Prenalterol" + ] + }, + { + "compound_id": "C07534", + "inchi": "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1", + "name": "Ethynyl estradiol", + "names": [ + "17alpha-Ethinyl estradiol", + "Ethinyl estradiol", + "Ethinylestradiol", + "Ethynyl estradiol" + ] + }, + { + "compound_id": "C07535", + "inchi": "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H", + "name": "Benzo[a]pyrene", + "names": [ + "Benzo[a]pyrene", + "Benzpyrene" + ] + }, + { + "compound_id": "C07536", + "inchi": "InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", + "name": "Amobarbital", + "names": [ + "Amobarbital" + ] + }, + { + "compound_id": "C07537", + "inchi": "InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1", + "name": "Ethylmorphine", + "names": [ + "Ethylmorphine" + ] + }, + { + "compound_id": "C07538", + "inchi": "InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3", + "name": "Benzphetamine", + "names": [ + "Benzfetamine", + "Benzphetamine" + ] + }, + { + "compound_id": "C07539", + "inchi": "InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3", + "name": "Aminopyrine", + "names": [ + "4-Dimethylaminoantipyrine", + "Aminopyrine" + ] + }, + { + "compound_id": "C07540", + "inchi": "InChI=1S/C15H18N2/c1-17-7-3-5-11-12-4-2-6-13-15(12)10(9-16-13)8-14(11)17/h2,4,6,9,11,14,16H,3,5,7-8H2,1H3/t11-,14-/m1/s1", + "name": "6-Methylergoline", + "names": [ + "6-Methylergoline" + ] + }, + { + "compound_id": "C07541", + "inchi": "InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10?,14-/m1/s1", + "name": "Lysergic acid", + "names": [ + "Lysergic acid" + ] + }, + { + "compound_id": "C07542", + "inchi": "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1", + "name": "Lysergic acid diethylamide", + "names": [ + "LSD", + "Lysergic acid diethylamide", + "Lysergide" + ] + }, + { + "compound_id": "C07543", + "inchi": "InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1", + "name": "Ergonovine", + "names": [ + "Ergometrine", + "Ergonovine" + ] + }, + { + "compound_id": "C07544", + "inchi": "InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25?,26+,27?,32-,33+/m1/s1", + "name": "Ergotamine", + "names": [ + "Ergotamine" + ] + }, + { + "compound_id": "C07545", + "inchi": "InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25?,26+,31?,32?/m1/s1", + "name": "alpha-Ergocryptine", + "names": [ + "alpha-Ergocryptine" + ] + }, + { + "compound_id": "C07546", + "inchi": "InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2", + "name": "Succinylcholine", + "names": [ + "Succinylcholine", + "Suxamethonium" + ] + }, + { + "compound_id": "C07547", + "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1", + "name": "Tubocurarine", + "names": [ + "Tubocurarine" + ] + }, + { + "compound_id": "C07548", + "inchi": "InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2", + "name": "Atracurium", + "names": [ + "Atracurium" + ] + }, + { + "compound_id": "C07549", + "inchi": "InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2", + "name": "Doxacurium", + "names": [ + "Doxacurium" + ] + }, + { + "compound_id": "C07550", + "inchi": "InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1", + "name": "Mivacurium", + "names": [ + "Mivacurium" + ] + }, + { + "compound_id": "C07551", + "inchi": "InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33?,34-,35-/m0/s1", + "name": "Pancuronium", + "names": [ + "Pancuronium" + ] + }, + { + "compound_id": "C07552", + "inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5-,6-,7?,10-,11-/m0/s1", + "name": "Aldrin", + "names": [ + "Aldrin" + ] + }, + { + "compound_id": "C07553", + "inchi": "InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32?,33-,34-/m0/s1", + "name": "Vecuronium", + "names": [ + "Vecuronium" + ] + }, + { + "compound_id": "C07554", + "inchi": "InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33?,34-,35-/m0/s1", + "name": "Pipecuronium", + "names": [ + "Pipecuronium" + ] + }, + { + "compound_id": "C07555", + "inchi": "InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3", + "name": "4-Nitroanisole", + "names": [ + "4-Nitroanisole", + "p-Nitroanisole" + ] + }, + { + "compound_id": "C07556", + "inchi": "InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1", + "name": "Rocuronium", + "names": [ + "Rocuronium" + ] + }, + { + "compound_id": "C07557", + "inchi": "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H", + "name": "2,3,7,8-Tetrachlorodibenzodioxin", + "names": [ + "2,3,7,8-Tetrachlorodibenzo-p-dioxin", + "2,3,7,8-Tetrachlorodibenzodioxin", + "PCDD 48", + "TCDD", + "Tetrachlorodibenzodioxin" + ] + }, + { + "compound_id": "C07558", + "inchi": "InChI=1S/C12H20N2O2S2/c1-4-5-8(2)12(6-7-18-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)", + "name": "Methitural", + "names": [ + "Methitural" + ] + }, + { + "compound_id": "C07559", + "inchi": "InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3", + "name": "Chlorphentermine", + "names": [ + "Chlorphentermine" + ] + }, + { + "compound_id": "C07560", + "inchi": "InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3", + "name": "Methaqualone", + "names": [ + "Methaqualone" + ] + }, + { + "compound_id": "C07561", + "inchi": "InChI=1S/CCl4/c2-1(3,4)5", + "name": "Carbon tetrachloride", + "names": [ + "Carbon tetrachloride", + "Tetrachloromethane" + ] + }, + { + "compound_id": "C07564", + "inchi": "InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)", + "name": "Ropinirole", + "names": [ + "Ropinirole" + ] + }, + { + "compound_id": "C07565", + "inchi": "InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)", + "name": "Acetanilide", + "names": [ + "Acetanilide", + "N-Acetylarylamine", + "N-Phenylacetamide" + ] + }, + { + "compound_id": "C07566", + "inchi": "InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)", + "name": "Pimozide", + "names": [ + "Pimozide" + ] + }, + { + "compound_id": "C07567", + "inchi": "InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)", + "name": "Sertindole", + "names": [ + "Sertindole" + ] + }, + { + "compound_id": "C07568", + "inchi": "InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)", + "name": "Ziprasidone", + "names": [ + "Ziprasidone" + ] + }, + { + "compound_id": "C07569", + "inchi": "InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)", + "name": "Propylthiouracil", + "names": [ + "Propylthiouracil" + ] + }, + { + "compound_id": "C07570", + "inchi": "InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3", + "name": "Mirtazapine", + "names": [ + "Mirtazapine" + ] + }, + { + "compound_id": "C07571", + "inchi": "InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+", + "name": "Fluvoxamine", + "names": [ + "Fluvoxamine" + ] + }, + { + "compound_id": "C07572", + "inchi": "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3", + "name": "Citalopram", + "names": [ + "Citalopram" + ] + }, + { + "compound_id": "C07573", + "inchi": "InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)/b17-16+", + "name": "Prontosil", + "names": [ + "Prontosil", + "Prontosil rubrum", + "Sulfamidochrysoidine" + ] + }, + { + "compound_id": "C07574", + "inchi": "InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;", + "name": "Tartrazine", + "names": [ + "Acid Yellow 23", + "Tartrazine" + ] + }, + { + "compound_id": "C07575", + "inchi": "InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2", + "name": "Phencyclidine", + "names": [ + "Phencyclidine" + ] + }, + { + "compound_id": "C07576", + "inchi": "InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)", + "name": "Psilocybin", + "names": [ + "Psilocybin", + "Psilocybine" + ] + }, + { + "compound_id": "C07577", + "inchi": "InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3", + "name": "3,4-Methylenedioxymethamphetamine", + "names": [ + "3,4-Methylenedioxymethamphetamine", + "MDMA", + "N-Methyl-3,4-methylenedioxyamphetamine" + ] + }, + { + "compound_id": "C07578", + "inchi": "InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18?/m0/s1", + "name": "Cannabidiol", + "names": [ + "Cannabidiol" + ] + }, + { + "compound_id": "C07580", + "inchi": "InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3", + "name": "Cannabinol", + "names": [ + "Cannabinol" + ] + }, + { + "compound_id": "C07581", + "inchi": "InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H", + "name": "Pteridine", + "names": [ + "Pteridine" + ] + }, + { + "compound_id": "C07582", + "inchi": "InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)", + "name": "Pteroic acid", + "names": [ + "Pteroic acid", + "pteroate" + ] + }, + { + "compound_id": "C07584", + "inchi": "InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H", + "name": "Phenindione", + "names": [ + "2-Phenyl-1,3-indandione", + "Phenindione" + ] + }, + { + "compound_id": "C07585", + "inchi": "InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)", + "name": "N-Acetylisoniazid", + "names": [ + "(N)1-Acetylisoniazid", + "N-Acetylisoniazid" + ] + }, + { + "compound_id": "C07586", + "inchi": "InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3", + "name": "Fenofibrate", + "names": [ + "Fenofibrate" + ] + }, + { + "compound_id": "C07587", + "inchi": "InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1", + "name": "Sodium salicylate", + "names": [ + "Sodium salicylate" + ] + }, + { + "compound_id": "C07588", + "inchi": "InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)", + "name": "Salicyluric acid", + "names": [ + "N-(2-Hydroxybenzoyl)-glycine", + "Salicylurate", + "Salicyluric acid" + ] + }, + { + "compound_id": "C07589", + "inchi": "InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)", + "name": "Celecoxib", + "names": [ + "Celecoxib" + ] + }, + { + "compound_id": "C07590", + "inchi": "InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3", + "name": "Rofecoxib", + "names": [ + "Rofecoxib" + ] + }, + { + "compound_id": "C07591", + "inchi": "InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)", + "name": "Phenacetin", + "names": [ + "Acetophenetidin", + "Phenacetin" + ] + }, + { + "compound_id": "C07592", + "inchi": "InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1", + "name": "Colchicine", + "names": [ + "Colchicine" + ] + }, + { + "compound_id": "C07593", + "inchi": "InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1", + "name": "Rotenone", + "names": [ + "Rotenone" + ] + }, + { + "compound_id": "C07594", + "inchi": "InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1", + "name": "Pyrethrin I", + "names": [ + "Pyrethrin I" + ] + }, + { + "compound_id": "C07596", + "inchi": "InChI=1S/C15H15N5O4.2HI/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23;;/h1-9H,10-11H2,(H2-,16,21,22,23);2*1H", + "name": "HLo7", + "names": [ + "HLo7" + ] + }, + { + "compound_id": "C07597", + "inchi": "InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h2-20,26H2,1H3,(H,27,33)(H,28,34);/q-3;+3", + "name": "Ferroxamine", + "names": [ + "Desferal-iron(III)", + "Ferrioxamine", + "Ferroxamine" + ] + }, + { + "compound_id": "C07598", + "inchi": "InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)", + "name": "Succimer", + "names": [ + "Succimer", + "meso-2,3-Dimercaptosuccinic acid" + ] + }, + { + "compound_id": "C07599", + "inchi": "InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)", + "name": "Alloxanthine", + "names": [ + "Alloxanthine", + "Oxipurinol", + "Oxypurinol" + ] + }, + { + "compound_id": "C07600", + "inchi": "InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2", + "name": "Allicin", + "names": [ + "2-Propene-1-sulfinothioic acid S-2-propenyl ester", + "Allicin" + ] + }, + { + "compound_id": "C07601", + "inchi": "InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17?,18-,19-,20-/m1/s1", + "name": "Ginkgolide A", + "names": [ + "Ginkgolide A" + ] + }, + { + "compound_id": "C07602", + "inchi": "InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17-,18?,19-,20-/m1/s1", + "name": "Ginkgolide B", + "names": [ + "Ginkgolide B" + ] + }, + { + "compound_id": "C07603", + "inchi": "InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17-,18?,19-,20-/m1/s1", + "name": "Ginkgolide C", + "names": [ + "BN 52022", + "Ginkgolide C" + ] + }, + { + "compound_id": "C07604", + "inchi": "InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17?,18-,19-,20-/m1/s1", + "name": "Ginkgolide J", + "names": [ + "BN 52024", + "Ginkgolide J" + ] + }, + { + "compound_id": "C07605", + "inchi": "InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15-/m0/s1", + "name": "Bilobalide", + "names": [ + "Bilobalide" + ] + }, + { + "compound_id": "C07606", + "inchi": "InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3", + "name": "Hypericin", + "names": [ + "Hypericin" + ] + }, + { + "compound_id": "C07607", + "inchi": "InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)", + "name": "Gonadotropin-releasing hormone I", + "names": [ + "GnRH-I", + "Gonadoliberin I", + "Gonadorelin", + "Gonadotropin-releasing hormone I" + ] + }, + { + "compound_id": "C07608", + "inchi": "InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1", + "name": "Hyperforin", + "names": [ + "Hyperforin" + ] + }, + { + "compound_id": "C07609", + "inchi": "InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13?,15+/m0/s1", + "name": "Parthenolide", + "names": [ + "Parthenolide" + ] + }, + { + "compound_id": "C07610", + "inchi": "InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3", + "name": "Silymarin", + "names": [ + "Silibinin", + "Silybin", + "Silymarin" + ] + }, + { + "compound_id": "C07612", + "inchi": "InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)", + "name": "Leuprolide", + "names": [ + "Leuprolide", + "Leuprorelin" + ] + }, + { + "compound_id": "C07613", + "inchi": "InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)", + "name": "Nafarelin", + "names": [ + "Nafarelin" + ] + }, + { + "compound_id": "C07615", + "inchi": "InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3", + "name": "Carbimazole", + "names": [ + "Carbimazole" + ] + }, + { + "compound_id": "C07616", + "inchi": "InChI=1S/C16H18N2O/c1-11(19)16(2,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10H,17-18H2,1-2H3", + "name": "Amphenone B", + "names": [ + "Amphenone B" + ] + }, + { + "compound_id": "C07617", + "inchi": "InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)", + "name": "Aminoglutethimide", + "names": [ + "Aminoglutethimide" + ] + }, + { + "compound_id": "C07618", + "inchi": "InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1", + "name": "Mestranol", + "names": [ + "Mestranol" + ] + }, + { + "compound_id": "C07619", + "inchi": "InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1", + "name": "Quinestrol", + "names": [ + "Quinestrol" + ] + }, + { + "compound_id": "C07620", + "inchi": "InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+", + "name": "Diethylstilbestrol", + "names": [ + "DES", + "Diethylstilbestrol" + ] + }, + { + "compound_id": "C07621", + "inchi": "InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)", + "name": "Methallenestril", + "names": [ + "Methallenestril" + ] + }, + { + "compound_id": "C07622", + "inchi": "InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1", + "name": "Voriconazole", + "names": [ + "Vfend", + "Voriconazole" + ] + }, + { + "compound_id": "C07624", + "inchi": "InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1", + "name": "Abacavir", + "names": [ + "Abacavir" + ] + }, + { + "compound_id": "C07625", + "inchi": "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)", + "name": "Chloroquine", + "names": [ + "Chloroquine" + ] + }, + { + "compound_id": "C07626", + "inchi": "InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)", + "name": "Amodiaquine", + "names": [ + "Amodiaquine" + ] + }, + { + "compound_id": "C07627", + "inchi": "InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3", + "name": "Primaquine", + "names": [ + "Primaquine" + ] + }, + { + "compound_id": "C07628", + "inchi": "InChI=1S/C23H32O2/c1-5-9-23(25)12-8-19-17-13-15(2)20-14-16(24)6-10-21(20,3)18(17)7-11-22(19,23)4/h14-15,17-19,25H,6-8,10-13H2,1-4H3/t15-,17+,18-,19-,21+,22-,23-/m0/s1", + "name": "Dimethisterone", + "names": [ + "Dimethisterone", + "Dimethisterone anhydrous" + ] + }, + { + "compound_id": "C07629", + "inchi": "InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1", + "name": "Desogestrel", + "names": [ + "Desogestrel" + ] + }, + { + "compound_id": "C07630", + "inchi": "InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)", + "name": "Sulfadoxine", + "names": [ + "Sulfadoxine" + ] + }, + { + "compound_id": "C07631", + "inchi": "InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)", + "name": "Proguanil", + "names": [ + "Chloroguanide", + "N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide", + "Proguanil" + ] + }, + { + "compound_id": "C07632", + "inchi": "InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17?,18-,19-/m0/s1", + "name": "Androstanediol", + "names": [ + "5-androstane-3,17-diol", + "Androstane-3,17-diol", + "Androstanediol" + ] + }, + { + "compound_id": "C07633", + "inchi": "InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2", + "name": "Mefloquine", + "names": [ + "Mefloquine" + ] + }, + { + "compound_id": "C07634", + "inchi": "InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3/t25-/m0/s1", + "name": "Halofantrine", + "names": [ + "Halofantrine" + ] + }, + { + "compound_id": "C07635", + "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1", + "name": "Epiandrosterone", + "names": [ + "Epiandrosterone" + ] + }, + { + "compound_id": "C07636", + "inchi": "InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H", + "name": "Iodoquinol", + "names": [ + "Iodoquinol" + ] + }, + { + "compound_id": "C07637", + "inchi": "InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3", + "name": "Diloxanide furoate", + "names": [ + "Diloxanide furoate" + ] + }, + { + "compound_id": "C07638", + "inchi": "InChI=1/2C6H10O7.3Na.9H2O.3O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8,10H,1H2,(H,12,13);;;;9*1H2;;;;;/q2*-2;;;;;;;;;;;;;;;;2*+2/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1/f/h2*12H;;;;;;;;;;;;;;;;;", + "name": "Sodium stibogluconate", + "names": [ + "Sodium stibogluconate" + ] + }, + { + "compound_id": "C07639", + "inchi": "InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1", + "name": "3,3',5'-Triiodo-L-thyronine", + "names": [ + "3,3',5'-Triiodo-L-thyronine", + "3,3',5'-Triiodothyronine", + "Reverse triiodothyronine", + "rT3" + ] + }, + { + "compound_id": "C07640", + "inchi": "InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)", + "name": "Semustine", + "names": [ + "1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea", + "Methyl-CCNU", + "Semustine" + ] + }, + { + "compound_id": "C07641", + "inchi": "InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2", + "name": "Thiotepa", + "names": [ + "Thiotepa" + ] + }, + { + "compound_id": "C07642", + "inchi": "InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2", + "name": "Triethylenemelamine", + "names": [ + "Triethylenemelamine", + "Trisaziridinyltriazine" + ] + }, + { + "compound_id": "C07643", + "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)", + "name": "4-Hydroxycyclophosphamide", + "names": [ + "4-Hydroxycyclophosphamide" + ] + }, + { + "compound_id": "C07644", + "inchi": "InChI=1S/C7H13Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h1-6H2,(H,10,12,13)", + "name": "4-Ketocyclophosphamide", + "names": [ + "4-Ketocyclophosphamide" + ] + }, + { + "compound_id": "C07645", + "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h6H,1-5,7H2,(H2,10,13)", + "name": "Aldophosphamide", + "names": [ + "Aldophosphamide" + ] + }, + { + "compound_id": "C07646", + "inchi": "InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)", + "name": "Carboxyphosphamide", + "names": [ + "Carboxycyclophosphamide", + "Carboxyphosphamide" + ] + }, + { + "compound_id": "C07647", + "inchi": "InChI=1S/C4H11Cl2N2O2P/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2,(H3,7,9,10)", + "name": "Phosphoramide mustard", + "names": [ + "Phosphamide mustard", + "Phosphoramide mustard" + ] + }, + { + "compound_id": "C07648", + "inchi": "InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)", + "name": "Thioguanine", + "names": [ + "Thioguanine" + ] + }, + { + "compound_id": "C07649", + "inchi": "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)", + "name": "5-FU", + "names": [ + "5-FU", + "5-Fluorouracil", + "Fluorouracil" + ] + }, + { + "compound_id": "C07650", + "inchi": "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1", + "name": "Gemcitabine", + "names": [ + "Gemcitabine" + ] + }, + { + "compound_id": "C07651", + "inchi": "InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2", + "name": "WR 1065", + "names": [ + "2-[(3-Aminopropyl)amino]ethanethiol", + "WR 1065" + ] + }, + { + "compound_id": "C07652", + "inchi": "InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1", + "name": "Mifepristone", + "names": [ + "Mifepristone", + "RU-486" + ] + }, + { + "compound_id": "C07653", + "inchi": "InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)", + "name": "Flutamide", + "names": [ + "Flutamide" + ] + }, + { + "compound_id": "C07654", + "inchi": "InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1", + "name": "Methacycline", + "names": [ + "Metacycline", + "Methacycline" + ] + }, + { + "compound_id": "C07655", + "inchi": "InChI=1S/C13H23NO9/c1-6(18)13(21,5-17)8(4-16)23-12-9(14-2)11(20)10(19)7(3-15)22-12/h4-12,14-15,18-21H,3H2,1-2H3/t6-,7-,8-,9-,10-,11-,12-,13+/m0/s1", + "name": "Streptobiosamine", + "names": [ + "Streptobiosamine" + ] + }, + { + "compound_id": "C07656", + "inchi": "InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1", + "name": "Gentamicin C1", + "names": [ + "Gentamicin C1" + ] + }, + { + "compound_id": "C07657", + "inchi": "InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1", + "name": "Netilmicin", + "names": [ + "Netilmicin" + ] + }, + { + "compound_id": "C07658", + "inchi": "InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)", + "name": "Sulfadiazine", + "names": [ + "Sulfadiazine" + ] + }, + { + "compound_id": "C07659", + "inchi": "InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)", + "name": "Sulfathalidine", + "names": [ + "2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid", + "Phthalylsulfathiazole", + "Sulfathalidine" + ] + }, + { + "compound_id": "C07660", + "inchi": "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1", + "name": "Levofloxacin", + "names": [ + "Levofloxacin", + "Ofloxacin S-(-)-form" + ] + }, + { + "compound_id": "C07661", + "inchi": "InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)", + "name": "Gatifloxacin", + "names": [ + "AM 1155", + "Gatifloxacin" + ] + }, + { + "compound_id": "C07662", + "inchi": "InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+", + "name": "Sparfloxacin", + "names": [ + "Sparfloxacin", + "cis-5-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid" + ] + }, + { + "compound_id": "C07663", + "inchi": "InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)", + "name": "Moxifloxacin", + "names": [ + "Moxifloxacin" + ] + }, + { + "compound_id": "C07664", + "inchi": "InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+", + "name": "Trovafloxacin", + "names": [ + "Trovafloxacin" + ] + }, + { + "compound_id": "C07665", + "inchi": "InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)", + "name": "Ethionamide", + "names": [ + "Ethionamide" + ] + }, + { + "compound_id": "C07666", + "inchi": "InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2", + "name": "Dapsone", + "names": [ + "4,4'-Sulfonylbisbenzenamine", + "Dapsone", + "Diaphenylsulfone" + ] + }, + { + "compound_id": "C07667", + "inchi": "InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3", + "name": "Gossypol", + "names": [ + "Gossypol" + ] + }, + { + "compound_id": "C07668", + "inchi": "InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)", + "name": "Apraclonidine", + "names": [ + "Apraclonidine" + ] + }, + { + "compound_id": "C07669", + "inchi": "InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)", + "name": "Glimepiride", + "names": [ + "Glimepiride" + ] + }, + { + "compound_id": "C07670", + "inchi": "InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1", + "name": "Repaglinide", + "names": [ + "Repaglinide" + ] + }, + { + "compound_id": "C07671", + "inchi": "InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)", + "name": "Histrelin", + "names": [ + "Histrelin" + ] + }, + { + "compound_id": "C07672", + "inchi": "InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)", + "name": "Biguanide", + "names": [ + "Biguanide", + "Guanylguanidine" + ] + }, + { + "compound_id": "C07673", + "inchi": "InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)", + "name": "Phenformin", + "names": [ + "DBI", + "Phenformin" + ] + }, + { + "compound_id": "C07674", + "inchi": "InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)", + "name": "Buformin", + "names": [ + "1-Butylbiguanide", + "Buformin" + ] + }, + { + "compound_id": "C07675", + "inchi": "InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)", + "name": "Pioglitazone", + "names": [ + "Pioglitazone" + ] + }, + { + "compound_id": "C07677", + "inchi": "InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H", + "name": "Acebutolol hydrochloride", + "names": [ + "Acebutolol hydrochloride" + ] + }, + { + "compound_id": "C07693", + "inchi": "InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2", + "name": "Fenoldopam", + "names": [ + "Fenoldopam" + ] + }, + { + "compound_id": "C07695", + "inchi": "InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q;;;;;2*-1;2*+1;;", + "name": "Sodium nitroprusside dihydrate", + "names": [ + "Sodium nitroprusside dihydrate" + ] + }, + { + "compound_id": "C07699", + "inchi": "InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3", + "name": "Nisoldipine", + "names": [ + "Nisoldipine" + ] + }, + { + "compound_id": "C07701", + "inchi": "InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1", + "name": "Benazepril hydrochloride", + "names": [ + "Benazepril hydrochloride" + ] + }, + { + "compound_id": "C07704", + "inchi": "InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1", + "name": "Moexipril", + "names": [ + "Moexipril" + ] + }, + { + "compound_id": "C07706", + "inchi": "InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1", + "name": "Perindopril", + "names": [ + "Perindopril" + ] + }, + { + "compound_id": "C07707", + "inchi": "InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1", + "name": "Perindopril erbumine", + "names": [ + "Perindopril erbumine" + ] + }, + { + "compound_id": "C07708", + "inchi": "InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1", + "name": "Miglitol", + "names": [ + "Miglitol" + ] + }, + { + "compound_id": "C07709", + "inchi": "InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)", + "name": "Candesartan cilexetil", + "names": [ + "Candesartan cilexetil" + ] + }, + { + "compound_id": "C07710", + "inchi": "InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)", + "name": "Telmisartan", + "names": [ + "Telmisartan" + ] + }, + { + "compound_id": "C07711", + "inchi": "InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1", + "name": "Previtamin D(3)", + "names": [ + "Previtamin D(3)", + "Previtamin D3" + ] + }, + { + "compound_id": "C07712", + "inchi": "InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19?,22-,23?,24?,25+,27+/m0/s1", + "name": "Secalciferol", + "names": [ + "24(R),25-Dihydroxyvitamin D3", + "Secalciferol" + ] + }, + { + "compound_id": "C07713", + "inchi": "InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3", + "name": "Nitrendipine", + "names": [ + "Nitrendipine" + ] + }, + { + "compound_id": "C07714", + "inchi": "InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1", + "name": "Isosorbide mononitrate", + "names": [ + "Isosorbide mononitrate" + ] + }, + { + "compound_id": "C07715", + "inchi": "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2", + "name": "Fluorene", + "names": [ + "2,2'-Methylenebiphenyl", + "Diphenylenemethane", + "Fluorene" + ] + }, + { + "compound_id": "C07717", + "inchi": "InChI=1S/C13H10O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,14-15H,7H2", + "name": "3,4-Dihydroxyfluorene", + "names": [ + "3,4-Dihydroxyfluorene" + ] + }, + { + "compound_id": "C07718", + "inchi": "InChI=1S/C13H10O4/c14-11(13(16)17)6-5-10-9-4-2-1-3-8(9)7-12(10)15/h1-6,14H,7H2,(H,16,17)/b10-5-,11-6-", + "name": "2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid", + "names": [ + "2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid" + ] + }, + { + "compound_id": "C07719", + "inchi": "InChI=1S/C10H8O2/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6,8H,5H2", + "name": "2-Formyl-1-indanone", + "names": [ + "2-Formyl-1-indanone" + ] + }, + { + "compound_id": "C07720", + "inchi": "InChI=1S/C9H8O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8,10H,5H2", + "name": "3-Hydroxy-1-indanone", + "names": [ + "3-Hydroxy-1-indanone" + ] + }, + { + "compound_id": "C07721", + "inchi": "InChI=1S/C13H12O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,11,13-15H,7H2/t11-,13-/m0/s1", + "name": "(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene", + "names": [ + "(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene" + ] + }, + { + "compound_id": "C07722", + "inchi": "InChI=1S/C13H10O3/c14-10-6-5-9-11(13(10)16)7-3-1-2-4-8(7)12(9)15/h1-6,10,13-14,16H", + "name": "3,4-Dihydroxy-3,4-dihydro-9-fluorenone", + "names": [ + "3,4-Dihydroxy-3,4-dihydro-9-fluorenone" + ] + }, + { + "compound_id": "C07723", + "inchi": "InChI=1S/C13H8O2/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7,14H", + "name": "4-Hydroxy-9-fluorenone", + "names": [ + "4-Hydroxy-9-fluorenone" + ] + }, + { + "compound_id": "C07724", + "inchi": "InChI=1S/C13H10O2/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,14-15H,7H2", + "name": "1,2-Dihydroxyfluorene", + "names": [ + "1,2-Dihydroxyfluorene" + ] + }, + { + "compound_id": "C07725", + "inchi": "InChI=1S/C13H10O4/c14-11(13(16)17)6-5-9-7-8-3-1-2-4-10(8)12(9)15/h1-6,14H,7H2,(H,16,17)/b9-5+,11-6-", + "name": "2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid", + "names": [ + "2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid" + ] + }, + { + "compound_id": "C07726", + "inchi": "InChI=1S/C10H8O2/c11-6-9-8-4-2-1-3-7(8)5-10(9)12/h1-4,6,9H,5H2", + "name": "1-Formyl-2-indanone", + "names": [ + "1-Formyl-2-indanone" + ] + }, + { + "compound_id": "C07727", + "inchi": "InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2", + "name": "2-Indanone", + "names": [ + "2-Indanone", + "2H-Inden-2-one, 1,3-dihydro-" + ] + }, + { + "compound_id": "C07728", + "inchi": "InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2", + "name": "3-Isochromanone", + "names": [ + "1,4-Dihydro-3H-2-benzopyran-3-one", + "3-Isochromanone" + ] + }, + { + "compound_id": "C07729", + "inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H", + "name": "Dibenzofuran", + "names": [ + "Dibenzofuran", + "Diphenylene oxide" + ] + }, + { + "compound_id": "C07731", + "inchi": "InChI=1S/C12H10O5/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,13,15H,(H,16,17)/b6-3-,11-7+", + "name": "2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate", + "names": [ + "2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate" + ] + }, + { + "compound_id": "C07732", + "inchi": "InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H", + "name": "Dibenzo-p-dioxin", + "names": [ + "Dibenzo-p-dioxin" + ] + }, + { + "compound_id": "C07733", + "inchi": "InChI=1S/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H", + "name": "2,2',3-Trihydroxydiphenylether", + "names": [ + "2,2',3-Trihydroxydiphenylether" + ] + }, + { + "compound_id": "C07734", + "inchi": "InChI=1S/C12H10O6/c13-8-4-1-2-6-10(8)18-11(15)7-3-5-9(14)12(16)17/h1-7,13-14H,(H,16,17)/b7-3-,9-5+", + "name": "2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate", + "names": [ + "2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate" + ] + }, + { + "compound_id": "C07736", + "inchi": "InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)", + "name": "Etidronic acid", + "names": [ + "1-Hydroxyethylidene-1,1-diphosphonic acid", + "Ethane-1-hydroxy-1,1-bisphosphonate", + "Etidronic acid" + ] + }, + { + "compound_id": "C07740", + "inchi": "InChI=1S/C21H29N3O.H3O4P/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19;1-5(2,3)4/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25);(H3,1,2,3,4)", + "name": "Disopyramide phosphate", + "names": [ + "Disopyramide phosphate" + ] + }, + { + "compound_id": "C07743", + "inchi": "InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)", + "name": "Moricizine", + "names": [ + "Moricizine" + ] + }, + { + "compound_id": "C07750", + "inchi": "InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m0/s1", + "name": "Tolterodine", + "names": [ + "Tolterodine" + ] + }, + { + "compound_id": "C07751", + "inchi": "InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3", + "name": "Dofetilide", + "names": [ + "Dofetilide" + ] + }, + { + "compound_id": "C07752", + "inchi": "InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)", + "name": "Alendronic acid", + "names": [ + "(4-Amino-1-hydroxybutylidene)bisphosphonic acid", + "Alendronate", + "Alendronic acid" + ] + }, + { + "compound_id": "C07753", + "inchi": "InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3", + "name": "Ibutilide", + "names": [ + "Ibutilide" + ] + }, + { + "compound_id": "C07755", + "inchi": "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2", + "name": "Magnesium chloride", + "names": [ + "Magnesium chloride", + "Magnesium chloride anhydrous" + ] + }, + { + "compound_id": "C07756", + "inchi": "InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1", + "name": "7-Aminocephalosporanic acid", + "names": [ + "(7R)-7-Aminocephalosporanate", + "7-ACA", + "7-Aminocephalosporanic acid", + "7-Aminocephalosporinic acid" + ] + }, + { + "compound_id": "C07758", + "inchi": "InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)", + "name": "Bendroflumethiazide", + "names": [ + "Bendroflumethiazide" + ] + }, + { + "compound_id": "C07759", + "inchi": "InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)", + "name": "Benzthiazide", + "names": [ + "Benzthiazide" + ] + }, + { + "compound_id": "C07760", + "inchi": "InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1", + "name": "Brinzolamide", + "names": [ + "Brinzolamide" + ] + }, + { + "compound_id": "C07761", + "inchi": "InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1", + "name": "Cephalothin", + "names": [ + "Cefalotin", + "Cephalothin" + ] + }, + { + "compound_id": "C07763", + "inchi": "InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)", + "name": "Hydroflumethiazide", + "names": [ + "Hydroflumethiazide" + ] + }, + { + "compound_id": "C07764", + "inchi": "InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+", + "name": "Methazolamide", + "names": [ + "Methazolamide" + ] + }, + { + "compound_id": "C07765", + "inchi": "InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)", + "name": "Methyclothiazide", + "names": [ + "Methyclothiazide" + ] + }, + { + "compound_id": "C07766", + "inchi": "InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)", + "name": "Polythiazide", + "names": [ + "Polythiazide" + ] + }, + { + "compound_id": "C07767", + "inchi": "InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)", + "name": "Trichlormethiazide", + "names": [ + "Trichlormethiazide" + ] + }, + { + "compound_id": "C07768", + "inchi": "InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3", + "name": "Azelastine", + "names": [ + "Azelastine" + ] + }, + { + "compound_id": "C07770", + "inchi": "InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1", + "name": "Sulbactam", + "names": [ + "Sulbactam" + ] + }, + { + "compound_id": "C07771", + "inchi": "InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1", + "name": "Tazobactam", + "names": [ + "Tazobactam" + ] + }, + { + "compound_id": "C07773", + "inchi": "InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2", + "name": "Ambenonium", + "names": [ + "Ambenonium" + ] + }, + { + "compound_id": "C07774", + "inchi": "InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3", + "name": "Azatadine", + "names": [ + "Azatadine" + ] + }, + { + "compound_id": "C07777", + "inchi": "InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3", + "name": "Buclizine", + "names": [ + "Buclizine" + ] + }, + { + "compound_id": "C07778", + "inchi": "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)", + "name": "Cetirizine", + "names": [ + "Cetirizine" + ] + }, + { + "compound_id": "C07780", + "inchi": "InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-", + "name": "Chlorpheniramine maleate", + "names": [ + "Chlorpheniramine maleate" + ] + }, + { + "compound_id": "C07783", + "inchi": "InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1", + "name": "Dexchlorpheniramine maleate", + "names": [ + "Dexchlorpheniramine maleate", + "d-Chlorpheniramine maleate" + ] + }, + { + "compound_id": "C07784", + "inchi": "InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H", + "name": "Diphenhydramine hydrochloride", + "names": [ + "Diphenhydramine hydrochloride" + ] + }, + { + "compound_id": "C07785", + "inchi": "InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3", + "name": "Emedastine", + "names": [ + "Emedastine" + ] + }, + { + "compound_id": "C07789", + "inchi": "InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+", + "name": "Olopatadine", + "names": [ + "Olopatadine" + ] + }, + { + "compound_id": "C07790", + "inchi": "InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3", + "name": "Phenindamine", + "names": [ + "Phenindamine" + ] + }, + { + "compound_id": "C07792", + "inchi": "InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3", + "name": "Naratriptan", + "names": [ + "Naratriptan" + ] + }, + { + "compound_id": "C07798", + "inchi": "InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1", + "name": "Dihydroergotamine", + "names": [ + "Dihydroergotamine" + ] + }, + { + "compound_id": "C07805", + "inchi": "InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)", + "name": "Formoterol", + "names": [ + "Formoterol" + ] + }, + { + "compound_id": "C07807", + "inchi": "InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3", + "name": "Pirbuterol", + "names": [ + "Pirbuterol" + ] + }, + { + "compound_id": "C07809", + "inchi": "InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3", + "name": "Flavoxate", + "names": [ + "Flavoxate" + ] + }, + { + "compound_id": "C07811", + "inchi": "InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1", + "name": "Hexocyclium", + "names": [ + "Hexocyclium" + ] + }, + { + "compound_id": "C07813", + "inchi": "InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1", + "name": "Beclomethasone dipropionate", + "names": [ + "Beclometasone dipropionate", + "Beclomethasone dipropionate" + ] + }, + { + "compound_id": "C07814", + "inchi": "InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?", + "name": "Homatropine", + "names": [ + "Homatropine" + ] + }, + { + "compound_id": "C07815", + "inchi": "InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1", + "name": "Fluticasone", + "names": [ + "Fluticasone" + ] + }, + { + "compound_id": "C07816", + "inchi": "InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1", + "name": "Mometasone", + "names": [ + "Mometasone" + ] + }, + { + "compound_id": "C07817", + "inchi": "InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1", + "name": "Mometasone furoate", + "names": [ + "Mometasone furoate" + ] + }, + { + "compound_id": "C07818", + "inchi": "InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1", + "name": "Mepenzolate", + "names": [ + "Mepenzolate" + ] + }, + { + "compound_id": "C07819", + "inchi": "InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3", + "name": "Dyphylline", + "names": [ + "Diprophylline", + "Dyphylline" + ] + }, + { + "compound_id": "C07825", + "inchi": "InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3", + "name": "Flumazenil", + "names": [ + "Flumazenil" + ] + }, + { + "compound_id": "C07826", + "inchi": "InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)", + "name": "Aprobarbital", + "names": [ + "Aprobarbital" + ] + }, + { + "compound_id": "C07827", + "inchi": "InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)", + "name": "Butabarbital", + "names": [ + "Butabarbital" + ] + }, + { + "compound_id": "C07829", + "inchi": "InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)", + "name": "Mephobarbital", + "names": [ + "Mephobarbital" + ] + }, + { + "compound_id": "C07832", + "inchi": "InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)", + "name": "Ethinamate", + "names": [ + "Ethinamate" + ] + }, + { + "compound_id": "C07833", + "inchi": "InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+", + "name": "Ethchlorvynol", + "names": [ + "Ethchlorvynol" + ] + }, + { + "compound_id": "C07834", + "inchi": "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3", + "name": "Paraldehyde", + "names": [ + "Paraldehyde" + ] + }, + { + "compound_id": "C07836", + "inchi": "InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7?/m1/s1", + "name": "D-glycero-D-manno-Heptose 7-phosphate", + "names": [ + "D-glycero-D-manno-Heptose 7-phosphate" + ] + }, + { + "compound_id": "C07837", + "inchi": "InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)", + "name": "Fomepizole", + "names": [ + "4-Methylpyrazole", + "Fomepizole" + ] + }, + { + "compound_id": "C07838", + "inchi": "InChI=1S/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1", + "name": "D-glycero-D-manno-Heptose 1-phosphate", + "names": [ + "D-glycero-D-manno-Heptose 1-phosphate" + ] + }, + { + "compound_id": "C07839", + "inchi": "InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)", + "name": "Ethotoin", + "names": [ + "Ethotoin" + ] + }, + { + "compound_id": "C07840", + "inchi": "InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)", + "name": "Fosphenytoin", + "names": [ + "Fosphenytoin" + ] + }, + { + "compound_id": "C07841", + "inchi": "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1", + "name": "Levetiracetam", + "names": [ + "Levetiracetam" + ] + }, + { + "compound_id": "C07843", + "inchi": "InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H", + "name": "Ketamine hydrochloride", + "names": [ + "Ketamine hydrochloride" + ] + }, + { + "compound_id": "C07844", + "inchi": "InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)", + "name": "Methohexital", + "names": [ + "Methohexital" + ] + }, + { + "compound_id": "C07846", + "inchi": "InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)", + "name": "Thiamylal", + "names": [ + "5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid", + "Thiamylal" + ] + }, + { + "compound_id": "C07849", + "inchi": "InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1", + "name": "Methantheline", + "names": [ + "Methantheline" + ] + }, + { + "compound_id": "C07851", + "inchi": "InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3", + "name": "Oxyphencyclimine", + "names": [ + "Oxyphencyclimine" + ] + }, + { + "compound_id": "C07852", + "inchi": "InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3", + "name": "Propiverine", + "names": [ + "Propiverine" + ] + }, + { + "compound_id": "C07853", + "inchi": "InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1", + "name": "Clidinium", + "names": [ + "Clidinium" + ] + }, + { + "compound_id": "C07861", + "inchi": "InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1", + "name": "Tridihexethyl", + "names": [ + "Tridihexethyl" + ] + }, + { + "compound_id": "C07862", + "inchi": "InChI=1S/C21H36NO.HI/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1", + "name": "Tridihexethyl iodide", + "names": [ + "Tridihexethyl iodide" + ] + }, + { + "compound_id": "C07864", + "inchi": "InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)", + "name": "Rabeprazole", + "names": [ + "Rabeprazole" + ] + }, + { + "compound_id": "C07865", + "inchi": "InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1", + "name": "Rabeprazole sodium", + "names": [ + "Rabeprazole sodium" + ] + }, + { + "compound_id": "C07866", + "inchi": "InChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2", + "name": "Dolasetron", + "names": [ + "Dolasetron" + ] + }, + { + "compound_id": "C07868", + "inchi": "InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)", + "name": "Metoclopramide", + "names": [ + "Metoclopramide" + ] + }, + { + "compound_id": "C07870", + "inchi": "InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3", + "name": "Bismuth subsalicylate", + "names": [ + "Bismuth subsalicylate" + ] + }, + { + "compound_id": "C07871", + "inchi": "InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)", + "name": "Difenoxin", + "names": [ + "Difenoxin" + ] + }, + { + "compound_id": "C07872", + "inchi": "InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3", + "name": "Diphenoxylate", + "names": [ + "Diphenoxylate" + ] + }, + { + "compound_id": "C07874", + "inchi": "InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)", + "name": "1,4-Bis(2-ethylhexyl) sulfosuccinate", + "names": [ + "1,4-Bis(2-ethylhexyl) sulfosuccinate", + "Docusate hydrogen" + ] + }, + { + "compound_id": "C07875", + "inchi": "InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3", + "name": "Butamben", + "names": [ + "Butamben" + ] + }, + { + "compound_id": "C07876", + "inchi": "InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2", + "name": "Magnesium hydroxide", + "names": [ + "Magnesium hydroxide", + "Milk of magnesia" + ] + }, + { + "compound_id": "C07877", + "inchi": "InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3", + "name": "Chloroprocaine", + "names": [ + "Chloroprocaine" + ] + }, + { + "compound_id": "C07879", + "inchi": "InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)", + "name": "Dibucaine", + "names": [ + "Dibucaine" + ] + }, + { + "compound_id": "C07880", + "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1", + "name": "Ursodiol", + "names": [ + "3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid", + "Ursodeoxycholate", + "Ursodeoxycholic acid", + "Ursodiol" + ] + }, + { + "compound_id": "C07881", + "inchi": "InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3", + "name": "Dyclonine", + "names": [ + "Dyclonine" + ] + }, + { + "compound_id": "C07884", + "inchi": "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1", + "name": "Dextroamphetamine", + "names": [ + "Dextroamphetamine" + ] + }, + { + "compound_id": "C07886", + "inchi": "InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)", + "name": "Brimonidine", + "names": [ + "Brimonidine" + ] + }, + { + "compound_id": "C07887", + "inchi": "InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1", + "name": "L-(-)-1-Butyl-2',6'-pipecoloxylidide", + "names": [ + "L-(-)-1-Butyl-2',6'-pipecoloxylidide", + "Levobupivacaine" + ] + }, + { + "compound_id": "C07888", + "inchi": "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)", + "name": "Cyclophosphamide", + "names": [ + "Cyclophosphamide" + ] + }, + { + "compound_id": "C07889", + "inchi": "InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3", + "name": "Mephentermine", + "names": [ + "Mephentermine" + ] + }, + { + "compound_id": "C07890", + "inchi": "InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)", + "name": "Midodrine", + "names": [ + "Midodrine" + ] + }, + { + "compound_id": "C07892", + "inchi": "InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3", + "name": "Pramoxine", + "names": [ + "Pramocaine", + "Pramoxine" + ] + }, + { + "compound_id": "C07894", + "inchi": "InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H", + "name": "Procaine hydrochloride", + "names": [ + "Procaine hydrochloride" + ] + }, + { + "compound_id": "C07895", + "inchi": "InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3", + "name": "Propoxycaine", + "names": [ + "Propoxycaine" + ] + }, + { + "compound_id": "C07897", + "inchi": null, + "name": "Etanercept", + "names": [ + "Etanercept" + ] + }, + { + "compound_id": "C07898", + "inchi": "InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H", + "name": "Naphazoline hydrochloride", + "names": [ + "Naphazoline hydrochloride" + ] + }, + { + "compound_id": "C07899", + "inchi": "InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)", + "name": "Pemoline", + "names": [ + "Pemoline" + ] + }, + { + "compound_id": "C07903", + "inchi": null, + "name": "Interleukin-2", + "names": [ + "Aldesleukin", + "Interleukin-2" + ] + }, + { + "compound_id": "C07904", + "inchi": "InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1", + "name": "Phendimetrazine", + "names": [ + "Phendimetrazine" + ] + }, + { + "compound_id": "C07905", + "inchi": "InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)", + "name": "Leflunomide", + "names": [ + "Leflunomide" + ] + }, + { + "compound_id": "C07906", + "inchi": "InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1", + "name": "Levamisole hydrochloride", + "names": [ + "Levamisole hydrochloride" + ] + }, + { + "compound_id": "C07908", + "inchi": "InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+", + "name": "Mycophenolate mofetil", + "names": [ + "Mycophenolate mofetil", + "RS 61443" + ] + }, + { + "compound_id": "C07909", + "inchi": "InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1", + "name": "Sirolimus", + "names": [ + "Rapamycin", + "Sirolimus" + ] + }, + { + "compound_id": "C07910", + "inchi": "InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)", + "name": "Thalidomide", + "names": [ + "Thalidomide" + ] + }, + { + "compound_id": "C07911", + "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1", + "name": "Phenylpropanolamine", + "names": [ + "(+-)-Phenylpropanolamine", + "(R*,S*)-(+-)-alpha-(1-Aminoethyl)benzenemethanol", + "Phenylpropanolamine" + ] + }, + { + "compound_id": "C07912", + "inchi": "InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)", + "name": "Tetrahydrozoline", + "names": [ + "2-Tetralin-1-yl-4,5-dihydro-1H-imidazole", + "Tetrahydrozoline", + "Tetryzoline" + ] + }, + { + "compound_id": "C07913", + "inchi": "InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)", + "name": "Xylometazoline", + "names": [ + "Xylometazoline" + ] + }, + { + "compound_id": "C07914", + "inchi": "InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1", + "name": "Levobunolol", + "names": [ + "(-)-Bunolol", + "Levobunolol" + ] + }, + { + "compound_id": "C07915", + "inchi": "InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3", + "name": "Metipranolol", + "names": [ + "Metipranolol" + ] + }, + { + "compound_id": "C07919", + "inchi": "InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1", + "name": "Metocurine", + "names": [ + "Metocurine" + ] + }, + { + "compound_id": "C07921", + "inchi": "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1", + "name": "Metyrosine", + "names": [ + "Metirosine", + "Metyrosine" + ] + }, + { + "compound_id": "C07927", + "inchi": "InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)", + "name": "Carisoprodol", + "names": [ + "Carisoprodol" + ] + }, + { + "compound_id": "C07928", + "inchi": "InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2", + "name": "Chlorphenesin", + "names": [ + "Chlorphenesin" + ] + }, + { + "compound_id": "C07930", + "inchi": "InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)", + "name": "Chlorphenesin carbamate", + "names": [ + "Chlorphenesin carbamate" + ] + }, + { + "compound_id": "C07931", + "inchi": "InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)", + "name": "Chlorzoxazone", + "names": [ + "Chlorzoxazone" + ] + }, + { + "compound_id": "C07933", + "inchi": "InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;", + "name": "Dantrolene sodium anhydrous", + "names": [ + "Dantrolene sodium anhydrous" + ] + }, + { + "compound_id": "C07934", + "inchi": "InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)", + "name": "Metaxalone", + "names": [ + "Metaxalone" + ] + }, + { + "compound_id": "C07935", + "inchi": "InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3", + "name": "Orphenadrine", + "names": [ + "Orphenadrine" + ] + }, + { + "compound_id": "C07937", + "inchi": "InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)", + "name": "Riluzole", + "names": [ + "Riluzole" + ] + }, + { + "compound_id": "C07939", + "inchi": "InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H", + "name": "Amantadine hydrochloride", + "names": [ + "Amantadine hydrochloride" + ] + }, + { + "compound_id": "C07941", + "inchi": "InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2", + "name": "Biperiden", + "names": [ + "Biperiden" + ] + }, + { + "compound_id": "C07943", + "inchi": "InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+", + "name": "Entacapone", + "names": [ + "Entacapone" + ] + }, + { + "compound_id": "C07946", + "inchi": null, + "name": "Botulinum toxin type A", + "names": [ + "Botulin A", + "Botulinum toxin type A" + ] + }, + { + "compound_id": "C07949", + "inchi": "InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3", + "name": "Tolcapone", + "names": [ + "Tolcapone" + ] + }, + { + "compound_id": "C07952", + "inchi": "InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H", + "name": "Chlorpromazine hydrochloride", + "names": [ + "Chloropromazine monohydrochloride", + "Chlorpromazine hydrochloride" + ] + }, + { + "compound_id": "C07953", + "inchi": "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-", + "name": "Chlorprothixene", + "names": [ + "Chlorprothixene" + ] + }, + { + "compound_id": "C07955", + "inchi": "InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3", + "name": "Fluphenazine enanthate", + "names": [ + "Fluphenazine enanthate", + "Prolixin enanthate" + ] + }, + { + "compound_id": "C07956", + "inchi": "InChI=1/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3", + "name": "Fluphenazine depot", + "names": [ + "Fluphenazine depot" + ] + }, + { + "compound_id": "C07964", + "inchi": "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2", + "name": "Lithium carbonate", + "names": [ + "Lithium carbonate" + ] + }, + { + "compound_id": "C07965", + "inchi": "InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1", + "name": "Tirofiban", + "names": [ + "Tirofiban" + ] + }, + { + "compound_id": "C07966", + "inchi": "InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1", + "name": "Cerivastatin", + "names": [ + "Cerivastatin" + ] + }, + { + "compound_id": "C07967", + "inchi": "InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H", + "name": "Bithionol", + "names": [ + "Bithionol" + ] + }, + { + "compound_id": "C07968", + "inchi": "InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3", + "name": "Diethylcarbamazine", + "names": [ + "Diethylcarbamazine", + "N,N-Diethyl-4-methyl-1-piperazinecarboxamide" + ] + }, + { + "compound_id": "C07970", + "inchi": "InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1", + "name": "Ivermectin", + "names": [ + "Ivermectin" + ] + }, + { + "compound_id": "C07971", + "inchi": "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3", + "name": "Metrifonate", + "names": [ + "Metrifonate", + "Trichlorfon" + ] + }, + { + "compound_id": "C07973", + "inchi": "InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2", + "name": "Piperazine", + "names": [ + "Diethylenediamine", + "Piperazine" + ] + }, + { + "compound_id": "C07974", + "inchi": "InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)", + "name": "Suramin", + "names": [ + "Suramin" + ] + }, + { + "compound_id": "C07982", + "inchi": "InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H", + "name": "Imipramine hydrochloride", + "names": [ + "Imipramine hydrochloride" + ] + }, + { + "compound_id": "C07995", + "inchi": "InChI=1S/2C7H6O3.Mg/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2", + "name": "Magnesium salicylate", + "names": [ + "Magnesium salicylate", + "Magnesium salicylate anhydrous" + ] + }, + { + "compound_id": "C07996", + "inchi": "InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1", + "name": "Dehydroemetine", + "names": [ + "Dehydroemetine" + ] + }, + { + "compound_id": "C07997", + "inchi": "InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)", + "name": "Eflornithine", + "names": [ + "DL-Ornithine, 2-(difluoromethyl)-", + "Eflornithine" + ] + }, + { + "compound_id": "C07999", + "inchi": "InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+", + "name": "Furazolidone", + "names": [ + "Furazolidone" + ] + }, + { + "compound_id": "C08001", + "inchi": "InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)", + "name": "Melarsoprol", + "names": [ + "Melarsoprol" + ] + }, + { + "compound_id": "C08002", + "inchi": "InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+", + "name": "Nifurtimox", + "names": [ + "Nifurtimox" + ] + }, + { + "compound_id": "C08005", + "inchi": "InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3", + "name": "Alfentanil", + "names": [ + "Alfentanil" + ] + }, + { + "compound_id": "C08007", + "inchi": "InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1", + "name": "Buprenorphine", + "names": [ + "Buprenorphine" + ] + }, + { + "compound_id": "C08010", + "inchi": "InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15+,16+/m0/s1", + "name": "Dezocine", + "names": [ + "Dezocine" + ] + }, + { + "compound_id": "C08012", + "inchi": "InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1", + "name": "Levomethadyl acetate", + "names": [ + "LAAM", + "Levomethadyl acetate" + ] + }, + { + "compound_id": "C08014", + "inchi": "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1", + "name": "Levorphanol", + "names": [ + "Levorphanol" + ] + }, + { + "compound_id": "C08018", + "inchi": "InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1", + "name": "Oxycodone", + "names": [ + "Oxycodone" + ] + }, + { + "compound_id": "C08019", + "inchi": "InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1", + "name": "Oxymorphone", + "names": [ + "Oxymorphone" + ] + }, + { + "compound_id": "C08021", + "inchi": "InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3", + "name": "Remifentanil", + "names": [ + "Remifentanil" + ] + }, + { + "compound_id": "C08022", + "inchi": "InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3", + "name": "Sufentanil", + "names": [ + "Sufentanil" + ] + }, + { + "compound_id": "C08024", + "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1", + "name": "Hydrocodone", + "names": [ + "Dihydrocodeinone", + "Hydrocodone" + ] + }, + { + "compound_id": "C08026", + "inchi": "InChI=1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1", + "name": "Oxycodone hydrochloride", + "names": [ + "Oxycodone hydrochloride" + ] + }, + { + "compound_id": "C08027", + "inchi": "InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1", + "name": "Nalmefene", + "names": [ + "Nalmefene" + ] + }, + { + "compound_id": "C08029", + "inchi": "InChI=1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1", + "name": "Methacycline hydrochloride", + "names": [ + "Methacycline hydrochloride" + ] + }, + { + "compound_id": "C08031", + "inchi": "InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29?,31?,32-,33-,34+,35?,37?,38-,39-,40-;/m1./s1", + "name": "Erythromycin estolate", + "names": [ + "Erythromycin estolate", + "Erythromycin estorate" + ] + }, + { + "compound_id": "C08032", + "inchi": "InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1", + "name": "Quinupristin", + "names": [ + "Quinupristin" + ] + }, + { + "compound_id": "C08033", + "inchi": "InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24?,25-,28-,31-,32-/m1/s1", + "name": "Dalfopristin", + "names": [ + "Dalfopristin" + ] + }, + { + "compound_id": "C08034", + "inchi": "InChI=1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35?,37-,38+,39?,40+,43-,44+,45+;24?,25-,28-,31-,32-/m11/s1", + "name": "Quinupristin-dalfopristin", + "names": [ + "Quinupristin-dalfopristin" + ] + }, + { + "compound_id": "C08037", + "inchi": null, + "name": "Benzalkonium chloride", + "names": [ + "Benzalkonium chloride", + "Parasterol" + ] + }, + { + "compound_id": "C08038", + "inchi": "InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1", + "name": "Chlorhexidine gluconate", + "names": [ + "Chlorhexidine gluconate", + "Hibitane gluconate" + ] + }, + { + "compound_id": "C08039", + "inchi": "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2", + "name": "Hexachlorophene", + "names": [ + "Hexachlorophene" + ] + }, + { + "compound_id": "C08040", + "inchi": "InChI=1S/I3.K/c1-3-2;/q-1;+1", + "name": "Iodine aqueous", + "names": [ + "Iodine aqueous", + "Iodine-potassium iodide complex", + "Potassium triiodide" + ] + }, + { + "compound_id": "C08042", + "inchi": "InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+", + "name": "Nitrofurazone", + "names": [ + "5-Nitro-2-furaldehyde semicarbazone", + "Nitrofurazone" + ] + }, + { + "compound_id": "C08043", + "inchi": null, + "name": "Povidone-iodine", + "names": [ + "Polyvinylpyrrolidone-iodine complex", + "Povidone-iodine" + ] + }, + { + "compound_id": "C08046", + "inchi": "InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1", + "name": "Kanamycin sulfate", + "names": [ + "Kanamycin monosulfate", + "Kanamycin sulfate" + ] + }, + { + "compound_id": "C08050", + "inchi": "InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)", + "name": "Sulfamethizole", + "names": [ + "Sulfamethizole" + ] + }, + { + "compound_id": "C08051", + "inchi": "InChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1", + "name": "Sulfacetamide sodium anhydrous", + "names": [ + "Sulfacetamide sodium anhydrous" + ] + }, + { + "compound_id": "C08052", + "inchi": "InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)", + "name": "Cinoxacin", + "names": [ + "Cinoxacin" + ] + }, + { + "compound_id": "C08053", + "inchi": "InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H", + "name": "Lomefloxacin hydrochloride", + "names": [ + "Lomefloxacin hydrochloride" + ] + }, + { + "compound_id": "C08054", + "inchi": "InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H", + "name": "Moxifloxacin hydrochloride", + "names": [ + "Moxifloxacin hydrochloride" + ] + }, + { + "compound_id": "C08055", + "inchi": "InChI=1S/C7H7NO3.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1", + "name": "Aminosalicylate sodium anhydrous", + "names": [ + "Aminosalicylate sodium anhydrous", + "Sodium p-aminosalicylate" + ] + }, + { + "compound_id": "C08057", + "inchi": "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1", + "name": "Cycloserine", + "names": [ + "Cycloserine", + "D-Cycloserine" + ] + }, + { + "compound_id": "C08059", + "inchi": "InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1", + "name": "Rifapentine", + "names": [ + "Rifapentine" + ] + }, + { + "compound_id": "C08060", + "inchi": "InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H", + "name": "Carbazole", + "names": [ + "9H-Carbazole", + "Carbazole" + ] + }, + { + "compound_id": "C08061", + "inchi": "InChI=1S/C12H11NO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H,13H2", + "name": "2'-Aminobiphenyl-2,3-diol", + "names": [ + "2'-Aminobiphenyl-2,3-diol" + ] + }, + { + "compound_id": "C08062", + "inchi": "InChI=1S/C12H11NO4/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,15H,13H2,(H,16,17)/b6-3-,11-7+", + "name": "2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate", + "names": [ + "2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate" + ] + }, + { + "compound_id": "C08063", + "inchi": "InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2", + "name": "1,4-Cyclohexanedione", + "names": [ + "1,4-Cyclohexanedione" + ] + }, + { + "compound_id": "C08064", + "inchi": "InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", + "name": "Saponarin", + "names": [ + "Isovitexin-7-O-beta-D-glucopyranoside", + "Saponarin" + ] + }, + { + "compound_id": "C08065", + "inchi": "InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2", + "name": "Butoconazole", + "names": [ + "Butoconazole" + ] + }, + { + "compound_id": "C08066", + "inchi": "InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)", + "name": "Butoconazole nitrate", + "names": [ + "Butoconazole nitrate" + ] + }, + { + "compound_id": "C08067", + "inchi": "InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3", + "name": "Butenafine", + "names": [ + "Butenafine" + ] + }, + { + "compound_id": "C08068", + "inchi": "InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2", + "name": "Econazole", + "names": [ + "Econazole" + ] + }, + { + "compound_id": "C08069", + "inchi": "InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)", + "name": "Econazole nitrate", + "names": [ + "Econazole nitrate" + ] + }, + { + "compound_id": "C08070", + "inchi": "InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)", + "name": "Miconazole nitrate", + "names": [ + "Miconazole nitrate" + ] + }, + { + "compound_id": "C08071", + "inchi": "InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+", + "name": "Naftifine", + "names": [ + "Naftifine" + ] + }, + { + "compound_id": "C08072", + "inchi": "InChI=1S/C21H21N.ClH/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20;/h2-15H,16-17H2,1H3;1H/b11-8+;", + "name": "Naftifine hydrochloride", + "names": [ + "Naftifine hydrochloride" + ] + }, + { + "compound_id": "C08073", + "inchi": "InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24?,25+,27-,28+,29-,30+,32-,33-/m1/s1", + "name": "Natamycin", + "names": [ + "Natamycin", + "Pimaricin" + ] + }, + { + "compound_id": "C08074", + "inchi": "InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+", + "name": "Oxiconazole", + "names": [ + "Oxiconazole" + ] + }, + { + "compound_id": "C08075", + "inchi": "InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;", + "name": "Oxiconazole nitrate", + "names": [ + "Oxiconazole nitrate" + ] + }, + { + "compound_id": "C08076", + "inchi": "InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2", + "name": "Sulconazole", + "names": [ + "Sulconazole" + ] + }, + { + "compound_id": "C08079", + "inchi": "InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+", + "name": "Terbinafine", + "names": [ + "Terbinafine" + ] + }, + { + "compound_id": "C08080", + "inchi": "InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1", + "name": "Terconazole", + "names": [ + "Terconazole" + ] + }, + { + "compound_id": "C08082", + "inchi": "InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2", + "name": "Tioconazole", + "names": [ + "Tioconazole" + ] + }, + { + "compound_id": "C08086", + "inchi": "InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1", + "name": "Amprenavir", + "names": [ + "Amprenavir" + ] + }, + { + "compound_id": "C08087", + "inchi": "InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)", + "name": "Delavirdine mesylate", + "names": [ + "Delavirdine mesilate", + "Delavirdine mesylate" + ] + }, + { + "compound_id": "C08088", + "inchi": "InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1", + "name": "Efavirenz", + "names": [ + "Efavirenz" + ] + }, + { + "compound_id": "C08089", + "inchi": "InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1", + "name": "Indinavir sulfate", + "names": [ + "Indinavir sulfate" + ] + }, + { + "compound_id": "C08090", + "inchi": "InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+", + "name": "Dienestrol", + "names": [ + "Dehydrostilbestrol", + "Dienestrol" + ] + }, + { + "compound_id": "C08091", + "inchi": "InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1", + "name": "Nelfinavir mesylate", + "names": [ + "Nelfinavir mesilate", + "Nelfinavir mesylate" + ] + }, + { + "compound_id": "C08092", + "inchi": "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1", + "name": "Oseltamivir", + "names": [ + "Oseltamivir" + ] + }, + { + "compound_id": "C08093", + "inchi": "InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1", + "name": "Oseltamivir phosphate", + "names": [ + "Oseltamivir phosphate" + ] + }, + { + "compound_id": "C08094", + "inchi": "InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H", + "name": "Rimantadine hydrochloride", + "names": [ + "Rimantadine hydrochloride" + ] + }, + { + "compound_id": "C08095", + "inchi": "InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1", + "name": "Zanamivir", + "names": [ + "Zanamivir" + ] + }, + { + "compound_id": "C08098", + "inchi": "InChI=1/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1/fC14H13N8O4S3.Na/h16H;/q-1;m", + "name": "Cefazolin sodium", + "names": [ + "Cefazolin sodium" + ] + }, + { + "compound_id": "C08099", + "inchi": "InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1", + "name": "Cephalexin monohydrate", + "names": [ + "Cephalexin", + "Cephalexin monohydrate" + ] + }, + { + "compound_id": "C08100", + "inchi": "InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1", + "name": "Cephalothin sodium", + "names": [ + "Cefalotin sodium", + "Cephalothin sodium" + ] + }, + { + "compound_id": "C08101", + "inchi": "InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1", + "name": "Cephapirin sodium", + "names": [ + "Cefapirin sodium", + "Cephapirin sodium", + "Sodium cefapirin" + ] + }, + { + "compound_id": "C08102", + "inchi": "InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1", + "name": "Cefamandole nafate", + "names": [ + "Cefamandole nafate" + ] + }, + { + "compound_id": "C08103", + "inchi": "InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1", + "name": "Cefmetazole", + "names": [ + "Cefmetazole" + ] + }, + { + "compound_id": "C08104", + "inchi": "InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1", + "name": "Cefmetazole sodium", + "names": [ + "Cefmetazole sodium" + ] + }, + { + "compound_id": "C08105", + "inchi": "InChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1", + "name": "Cefonicid sodium", + "names": [ + "Cefonicid sodium" + ] + }, + { + "compound_id": "C08106", + "inchi": "InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1", + "name": "Cefoxitin sodium", + "names": [ + "Cefoxitin sodium" + ] + }, + { + "compound_id": "C08107", + "inchi": "InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1", + "name": "Cefuroxime axetil", + "names": [ + "Cefuroxime 1-acetoxyethyl ester", + "Cefuroxime axetil" + ] + }, + { + "compound_id": "C08108", + "inchi": "InChI=1S/C16H16N4O8S.Na/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24);/q;+1/p-1/b19-9-;/t10-,14-;/m1./s1", + "name": "Cefuroxime sodium", + "names": [ + "Cefuroxime sodium" + ] + }, + { + "compound_id": "C08109", + "inchi": "InChI=1S/C16H16ClN3O4.H2O/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8;/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24);1H2/t10?,11-,12?;/m1./s1", + "name": "Loracarbef monohydrate", + "names": [ + "Loracarbef monohydrate" + ] + }, + { + "compound_id": "C08110", + "inchi": "InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1", + "name": "Cefdinir", + "names": [ + "Cefdinir" + ] + }, + { + "compound_id": "C08111", + "inchi": "InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1", + "name": "Cefepime", + "names": [ + "Cefepime" + ] + }, + { + "compound_id": "C08112", + "inchi": "InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1", + "name": "Cefoperazone sodium", + "names": [ + "Cefoperazone sodium" + ] + }, + { + "compound_id": "C08113", + "inchi": "InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1", + "name": "Cefotaxime sodium", + "names": [ + "Cefotaxime sodium" + ] + }, + { + "compound_id": "C08114", + "inchi": "InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1", + "name": "Cefpodoxime", + "names": [ + "Cefpodoxime" + ] + }, + { + "compound_id": "C08115", + "inchi": "InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1", + "name": "Cefpodoxime proxetil", + "names": [ + "Cefpodoxime proxetil" + ] + }, + { + "compound_id": "C08117", + "inchi": "InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1", + "name": "Ceftibuten", + "names": [ + "Ceftibuten" + ] + }, + { + "compound_id": "C08118", + "inchi": "InChI=1S/C13H13N5O5S2.Na/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18;/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-7-;/t8-,11-;/m1./s1", + "name": "Ceftizoxime sodium", + "names": [ + "Ceftizoxime sodium" + ] + }, + { + "compound_id": "C08122", + "inchi": "InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14-,15+,18-/m1/s1", + "name": "Bacampicillin", + "names": [ + "Bacampicillin" + ] + }, + { + "compound_id": "C08123", + "inchi": "InChI=1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14-,15+,18-;/m1./s1", + "name": "Bacampicillin hydrochloride", + "names": [ + "Bacampicillin hydrochloride" + ] + }, + { + "compound_id": "C08124", + "inchi": "InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1", + "name": "Nafcillin sodium", + "names": [ + "Nafcillin sodium" + ] + }, + { + "compound_id": "C08126", + "inchi": "InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1", + "name": "Penicillin V", + "names": [ + "Penicillin V", + "phenoxymethylpenicillin", + "phenoxymethylpenicillin-" + ] + }, + { + "compound_id": "C08127", + "inchi": "InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1", + "name": "Paricalcitol", + "names": [ + "19-Nor-1alpha,25-dihydroxyvitamin D2", + "Paricalcitol" + ] + }, + { + "compound_id": "C08129", + "inchi": "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2", + "name": "Calcium carbonate", + "names": [ + "Calcium carbonate", + "Precipitated calcium carbonate" + ] + }, + { + "compound_id": "C08130", + "inchi": "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2", + "name": "Calcium chloride anhydrous", + "names": [ + "Calcium chloride anhydrous" + ] + }, + { + "compound_id": "C08133", + "inchi": "InChI=1S/2C6H12O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1", + "name": "Calcium gluconate", + "names": [ + "Calcium gluconate" + ] + }, + { + "compound_id": "C08136", + "inchi": "InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6", + "name": "Tricalcium phosphate", + "names": [ + "Calcium phosphate tribasic", + "Synthos", + "Tricalcium phosphate" + ] + }, + { + "compound_id": "C08141", + "inchi": "InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)", + "name": "Tiludronic acid", + "names": [ + "Tiludronate", + "Tiludronic acid" + ] + }, + { + "compound_id": "C08142", + "inchi": "InChI=1S/FH.Na/h1H;/q;+1/p-1", + "name": "Sodium fluoride", + "names": [ + "Sodium fluoride" + ] + }, + { + "compound_id": "C08145", + "inchi": "InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+", + "name": "Diethylstilbestrol diphosphate", + "names": [ + "Diethylstilbestrol bisphosphate", + "Diethylstilbestrol diphosphate", + "Fosfestrol" + ] + }, + { + "compound_id": "C08146", + "inchi": "InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1", + "name": "Linezolid", + "names": [ + "Linezolid" + ] + }, + { + "compound_id": "C08148", + "inchi": "InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1", + "name": "Hydroxyprogesterone caproate", + "names": [ + "17alpha-Caproyloxypregn-4-ene-3,20-dione", + "Hydroxyprogesterone caproate", + "Primolut depot" + ] + }, + { + "compound_id": "C08149", + "inchi": "InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1", + "name": "Levonorgestrel", + "names": [ + "D-Norgestrel", + "Levonorgestrel" + ] + }, + { + "compound_id": "C08150", + "inchi": "InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1", + "name": "Medroxyprogesterone acetate", + "names": [ + "6-alpha-Methyl-17-alpha-acetoxyprogesterone", + "6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate", + "Medroxyprogesterone acetate" + ] + }, + { + "compound_id": "C08151", + "inchi": "InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1", + "name": "Megestrol acetate", + "names": [ + "Megestrol acetate" + ] + }, + { + "compound_id": "C08152", + "inchi": "InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1", + "name": "Norethindrone acetate", + "names": [ + "Norethindrone acetate", + "Norethisterone acetate" + ] + }, + { + "compound_id": "C08153", + "inchi": "InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1", + "name": "Norgestrel", + "names": [ + "DL-Norgestrel", + "Norgestrel" + ] + }, + { + "compound_id": "C08154", + "inchi": "InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1", + "name": "Nandrolone decanoate", + "names": [ + "Nandrolone decanoate" + ] + }, + { + "compound_id": "C08155", + "inchi": "InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1", + "name": "Nandrolone phenpropionate", + "names": [ + "Nandrolone phenpropionate", + "Nandrolone phenylpropionate" + ] + }, + { + "compound_id": "C08156", + "inchi": "InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1", + "name": "Testosterone cypionate", + "names": [ + "Testosterone cypionate" + ] + }, + { + "compound_id": "C08157", + "inchi": "InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1", + "name": "Testosterone enanthate", + "names": [ + "Testosterone enanthate" + ] + }, + { + "compound_id": "C08158", + "inchi": "InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1", + "name": "Testosterone propionate", + "names": [ + "Testosterone propionate" + ] + }, + { + "compound_id": "C08159", + "inchi": "InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3", + "name": "Anastrozole", + "names": [ + "Anastrozole" + ] + }, + { + "compound_id": "C08160", + "inchi": "InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1", + "name": "Bicalutamide", + "names": [ + "Bicalutamide" + ] + }, + { + "compound_id": "C08161", + "inchi": "InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;", + "name": "Clomiphene citrate", + "names": [ + "Clomifene citrate", + "Clomiphene citrate" + ] + }, + { + "compound_id": "C08162", + "inchi": "InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1", + "name": "Exemestane", + "names": [ + "Exemestane" + ] + }, + { + "compound_id": "C08163", + "inchi": "InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H", + "name": "Letrozole", + "names": [ + "Letrozole" + ] + }, + { + "compound_id": "C08164", + "inchi": "InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)", + "name": "Nilutamide", + "names": [ + "Nilutamide" + ] + }, + { + "compound_id": "C08166", + "inchi": "InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-", + "name": "Toremifene", + "names": [ + "Toremifene" + ] + }, + { + "compound_id": "C08169", + "inchi": "InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)", + "name": "Meloxicam", + "names": [ + "Meloxicam" + ] + }, + { + "compound_id": "C08171", + "inchi": "InChI=1S/C7H6O2S.Na/c8-7(9)5-3-1-2-4-6(5)10;/h1-4,10H,(H,8,9);/q;+1/p-1", + "name": "Sodium thiosalicylate", + "names": [ + "2-Mercapto-benzoic acid, monosodium salt", + "Sodium thiosalicylate" + ] + }, + { + "compound_id": "C08173", + "inchi": "InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1", + "name": "Cortisone acetate", + "names": [ + "Cortisone acetate", + "Cortisyl" + ] + }, + { + "compound_id": "C08174", + "inchi": "InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1", + "name": "Dexamethasone acetate anhydrous", + "names": [ + "Dexamethasone acetate anhydrous" + ] + }, + { + "compound_id": "C08175", + "inchi": "InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1", + "name": "Dexamethasone sodium phosphate", + "names": [ + "Dexamethasone sodium phosphate" + ] + }, + { + "compound_id": "C08176", + "inchi": "InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1", + "name": "Hydrocortisone cypionate", + "names": [ + "Hydrocortisone cypionate" + ] + }, + { + "compound_id": "C08178", + "inchi": "InChI=1S/C25H34O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1", + "name": "Hydrocortisone sodium succinate", + "names": [ + "Hydrocortisone sodium succinate" + ] + }, + { + "compound_id": "C08179", + "inchi": "InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1", + "name": "Methylprednisolone acetate", + "names": [ + "11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetate", + "6alpha-Methylprednisolone 21-acetate", + "M-Predrol", + "Methylprednisolone acetate" + ] + }, + { + "compound_id": "C08180", + "inchi": "InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1", + "name": "Prednisolone acetate", + "names": [ + "Prednisolone 21-acetate", + "Prednisolone acetate", + "Pricortin" + ] + }, + { + "compound_id": "C08182", + "inchi": "InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1", + "name": "Prednisolone tebutate", + "names": [ + "Prednisolone butyl acetete", + "Prednisolone tebutate" + ] + }, + { + "compound_id": "C08183", + "inchi": "InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1", + "name": "Triamcinolone acetonide", + "names": [ + "Triamcinolone acetonide" + ] + }, + { + "compound_id": "C08184", + "inchi": "InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/m0/s1", + "name": "Triamcinolone diacetate", + "names": [ + "Triamcinolone diacetate" + ] + }, + { + "compound_id": "C08185", + "inchi": "InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1", + "name": "Triamcinolone hexacetonide", + "names": [ + "Triamcinolone hexacetonide" + ] + }, + { + "compound_id": "C08186", + "inchi": "InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1", + "name": "Fludrocortisone acetate", + "names": [ + "Fludrocortisone acetate" + ] + }, + { + "compound_id": "C08187", + "inchi": "InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1", + "name": "Cabergoline", + "names": [ + "Cabergoline" + ] + }, + { + "compound_id": "C08192", + "inchi": "InChI=1S/C149H246N44O42S/c1-20-77(13)116(191-122(211)81(17)168-132(221)104(66-113(204)205)178-121(210)79(15)167-123(212)88(152)62-84-39-43-86(198)44-40-84)145(234)185-102(63-83-32-23-22-24-33-83)138(227)193-118(82(18)197)146(235)186-103(65-111(155)202)137(226)189-108(71-196)142(231)182-101(64-85-41-45-87(199)46-42-85)136(225)175-93(38-31-56-165-149(161)162)126(215)174-91(35-26-28-53-151)131(220)190-115(76(11)12)143(232)184-97(58-72(3)4)124(213)166-68-112(203)170-94(47-49-109(153)200)128(217)180-100(61-75(9)10)135(224)188-106(69-194)140(229)169-80(16)120(209)172-92(37-30-55-164-148(159)160)125(214)173-90(34-25-27-52-150)127(216)179-99(60-74(7)8)134(223)181-98(59-73(5)6)133(222)176-95(48-50-110(154)201)129(218)183-105(67-114(206)207)139(228)192-117(78(14)21-2)144(233)177-96(51-57-236-19)130(219)187-107(70-195)141(230)171-89(119(156)208)36-29-54-163-147(157)158/h22-24,32-33,39-46,72-82,88-108,115-118,194-199H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,166,213)(H,167,212)(H,168,221)(H,169,229)(H,170,203)(H,171,230)(H,172,209)(H,173,214)(H,174,215)(H,175,225)(H,176,222)(H,177,233)(H,178,210)(H,179,216)(H,180,217)(H,181,223)(H,182,231)(H,183,218)(H,184,232)(H,185,234)(H,186,235)(H,187,219)(H,188,224)(H,189,226)(H,190,220)(H,191,211)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,157,158,163)(H4,159,160,164)(H4,161,162,165)", + "name": "Sermorelin", + "names": [ + "Sermorelin" + ] + }, + { + "compound_id": "C08193", + "inchi": "InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1", + "name": "Aurothioglucose", + "names": [ + "Aurothioglucose" + ] + }, + { + "compound_id": "C08195", + "inchi": "InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3", + "name": "Meclofenoxate", + "names": [ + "Meclofenoxate" + ] + }, + { + "compound_id": "C08197", + "inchi": "InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1", + "name": "Neostigmine bromide", + "names": [ + "Neo proserine", + "Neostigmine bromide" + ] + }, + { + "compound_id": "C08200", + "inchi": "InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1", + "name": "Neostigmine methylsulfate", + "names": [ + "Neostigmine methylsulfate" + ] + }, + { + "compound_id": "C08201", + "inchi": "InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1", + "name": "Acetylcholine chloride", + "names": [ + "Acetylcholine chloride" + ] + }, + { + "compound_id": "C08202", + "inchi": "InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H", + "name": "Bethanechol chloride", + "names": [ + "Bethanechol chloride" + ] + }, + { + "compound_id": "C08211", + "inchi": "InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1", + "name": "Doxercalciferol", + "names": [ + "1alpha-Hydroxyergocalciferol", + "Doxercalciferol" + ] + }, + { + "compound_id": "C08212", + "inchi": "InChI=1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1", + "name": "Levothyroxine sodium anhydrous", + "names": [ + "Levothyroxine sodium anhydrous" + ] + }, + { + "compound_id": "C08215", + "inchi": null, + "name": "Thyroid", + "names": [ + "Thyroid" + ] + }, + { + "compound_id": "C08217", + "inchi": "InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)", + "name": "Iopanoic acid", + "names": [ + "Iopanoic acid" + ] + }, + { + "compound_id": "C08219", + "inchi": "InChI=1S/HI.K/h1H;/q;+1/p-1", + "name": "Potassium iodide", + "names": [ + "Potassium iodide" + ] + }, + { + "compound_id": "C08228", + "inchi": "InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1", + "name": "Levobunolol hydrochloride", + "names": [ + "Levobunolol hydrochloride" + ] + }, + { + "compound_id": "C08230", + "inchi": "InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52?,53-,56?,57+,59-,60+,61+,62+;;/m1../s1", + "name": "Hydroxocobalamin", + "names": [ + "Hydroxocobalamin", + "Hydroxycob(lll)alamin", + "Hydroxycobalamin", + "Vitamin B12a" + ] + }, + { + "compound_id": "C08233", + "inchi": "InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)", + "name": "Risedronic acid", + "names": [ + "Risedronate", + "Risedronic acid" + ] + }, + { + "compound_id": "C08234", + "inchi": "InChI=1S/C7H14O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1", + "name": "beta-Cymaropyranose", + "names": [ + "2,6-Dideoxy-3-O-methyl-D-ribo-hexose", + "Cymarose", + "D-Cymarose", + "beta-Cymaropyranose" + ] + }, + { + "compound_id": "C08235", + "inchi": "InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4+,5-,6+,7-/m1/s1", + "name": "Digitalose", + "names": [ + "Digitalose", + "beta-D-Digitalopyranose" + ] + }, + { + "compound_id": "C08236", + "inchi": "InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5+,6+,7+/m1/s1", + "name": "alpha-D-Mannoheptulopyranose", + "names": [ + "Mannoheptulose", + "alpha-D-Mannoheptulopyranose" + ] + }, + { + "compound_id": "C08237", + "inchi": "InChI=1S/C7H14O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m0/s1", + "name": "Oleandrose", + "names": [ + "Oleandrose", + "beta-L-Oleandropyranose" + ] + }, + { + "compound_id": "C08238", + "inchi": "InChI=1S/C36H62O31/c37-1-8-14(40)20(46)25(51)31(61-8)57-3-10-15(41)21(47)26(52)32(62-10)58-4-11-16(42)22(48)27(53)33(63-11)59-5-12-17(43)23(49)28(54)34(64-12)60-6-13-18(44)24(50)29(55)35(65-13)67-36(7-39)30(56)19(45)9(2-38)66-36/h8-35,37-56H,1-7H2/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+/m1/s1", + "name": "alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose", + "names": [ + "Ajugose", + "alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose" + ] + }, + { + "compound_id": "C08239", + "inchi": "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1", + "name": "Gentianose", + "names": [ + "Gentianose", + "beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside" + ] + }, + { + "compound_id": "C08240", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1", + "name": "Gentiobiose", + "names": [ + "Gentiobiose" + ] + }, + { + "compound_id": "C08241", + "inchi": "InChI=1S/C12H18O10.Na/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;/h2-4,6-9,11-16,19H,1H3,(H,17,18);/q;+1/p-1/t3-,4-,6-,7+,8+,9?,11-,12?;/m0./s1", + "name": "Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate", + "names": [ + "Lepidimoide", + "Sodium 2-O-L-rhamnopyranosyl-4-deoxy-alpha-L-threo-hex-4-eno-pyranosiduronate" + ] + }, + { + "compound_id": "C08242", + "inchi": "InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-4-9-12(30)16(34)19(37)23(43-9)45-24(20(38)13(31)8(3-27)44-24)5-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23?,24+/m1/s1", + "name": "Lychnose", + "names": [ + "1F-alpha-D-Galactosylraffinose", + "Lychnose" + ] + }, + { + "compound_id": "C08243", + "inchi": "InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1", + "name": "Melezitose", + "names": [ + "Melezitose" + ] + }, + { + "compound_id": "C08244", + "inchi": "InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10?,11+,12?/m0/s1", + "name": "2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose", + "names": [ + "2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose", + "Neohesperidose" + ] + }, + { + "compound_id": "C08245", + "inchi": "InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4-,5+,6-,7+,8-,9-,10?,11+/m1/s1", + "name": "6-O-beta-D-Xylopyranosyl-D-glucose", + "names": [ + "6-O-beta-D-Xylopyranosyl-D-glucose", + "Primeverose" + ] + }, + { + "compound_id": "C08246", + "inchi": "InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6-,7+,8-,9+,10+,11+,12+/m0/s1", + "name": "Robinobiose", + "names": [ + "Robinobiose" + ] + }, + { + "compound_id": "C08247", + "inchi": "InChI=1S/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12+/m0/s1", + "name": "Rutinose", + "names": [ + "Rutinose" + ] + }, + { + "compound_id": "C08248", + "inchi": "InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)18(36)22(43-8)40-4-9-13(31)20(38)24(5-27,44-9)45-23-19(37)15(33)11(29)7(2-26)42-23/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23?,24+/m1/s1", + "name": "Sesamose", + "names": [ + "Sesamose", + "alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-(2-1)-alpha-D-glucoside" + ] + }, + { + "compound_id": "C08249", + "inchi": "InChI=1S/C9H13N2O6P/c12-7-4-9(11-3-1-2-10-6-11)17-8(7)5-16-18(13,14)15/h1-3,6-9,12H,4-5H2,(H-,13,14,15)/p+1/t7-,8+,9+/m0/s1", + "name": "Pyrimidine 5'-deoxynucleotide", + "names": [ + "Pyrimidine 5'-deoxynucleotide" + ] + }, + { + "compound_id": "C08250", + "inchi": "InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10?,11-,12?/m1/s1", + "name": "Sophorose", + "names": [ + "2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose", + "Sophorose", + "alpha-Sophorose" + ] + }, + { + "compound_id": "C08251", + "inchi": "InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16-,17?,18+/m1/s1", + "name": "Umbelliferose", + "names": [ + "Umbelliferose", + "beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside" + ] + }, + { + "compound_id": "C08252", + "inchi": "InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1", + "name": "Verbascose", + "names": [ + "Verbascose", + "beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside" + ] + }, + { + "compound_id": "C08253", + "inchi": null, + "name": "Fucoidan", + "names": [ + "Fucoidan" + ] + }, + { + "compound_id": "C08254", + "inchi": "InChI=1S/C12H24O11/c13-1-5(16)10(20)12(21,3-15)4-22-11-9(19)8(18)7(17)6(2-14)23-11/h5-11,13-21H,1-4H2/t5-,6-,7+,8+,9-,10-,11+,12-/m1/s1", + "name": "Clusianose", + "names": [ + "Clusianose" + ] + }, + { + "compound_id": "C08255", + "inchi": "InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4+,5-,6-,7+/m1/s1", + "name": "Perseitol", + "names": [ + "D-Glycero-D-galacto-heptitol", + "Perseitol" + ] + }, + { + "compound_id": "C08257", + "inchi": "InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6+,7-/m0/s1", + "name": "(-)-Quebrachitol", + "names": [ + "(-)-Quebrachitol" + ] + }, + { + "compound_id": "C08258", + "inchi": "InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1", + "name": "(+)-Quercitol", + "names": [ + "(+)-Quercitol", + "d-Quercitol" + ] + }, + { + "compound_id": "C08259", + "inchi": "InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1", + "name": "(-)-Viburnitol", + "names": [ + "(-)-Viburnitol" + ] + }, + { + "compound_id": "C08260", + "inchi": "InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1", + "name": "Volemitol", + "names": [ + "D-Glycero-D-manno-heptitol", + "Volemitol" + ] + }, + { + "compound_id": "C08261", + "inchi": "InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)", + "name": "Azelaic acid", + "names": [ + "1,7-Heptanedicarboxylic acid", + "Azelaic acid", + "Nonanedioic acid" + ] + }, + { + "compound_id": "C08262", + "inchi": "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)", + "name": "3-Methylbutanoic acid", + "names": [ + "3-Methylbutanoic acid", + "Isovalerate", + "Isovaleric acid" + ] + }, + { + "compound_id": "C08263", + "inchi": "InChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3", + "name": "beta-Alaninebetaine", + "names": [ + "Propiobetaine", + "Trimethylalanine", + "beta-Alanine betaine", + "beta-Alaninebetaine" + ] + }, + { + "compound_id": "C08264", + "inchi": "InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1", + "name": "L-Albizziine", + "names": [ + "Albizziin", + "L-Albizziine" + ] + }, + { + "compound_id": "C08265", + "inchi": "InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1", + "name": "Alliin", + "names": [ + "Alliin" + ] + }, + { + "compound_id": "C08266", + "inchi": "InChI=1S/C6H10N2O5/c7-3(5(10)11)1-2-8-4(9)6(12)13/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1", + "name": "L-alpha-Amino-gamma-oxalylaminobutyric acid", + "names": [ + "L-alpha-Amino-gamma-oxalylaminobutyric acid" + ] + }, + { + "compound_id": "C08267", + "inchi": "InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1", + "name": "L-Azetidine 2-carboxylic acid", + "names": [ + "(S)-(-)-Azetidine-2-carboxylic acid", + "Azetidyl-2-carboxylic acid", + "L-Azetidine 2-carboxylic acid" + ] + }, + { + "compound_id": "C08268", + "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)/t5-/m0/s1", + "name": "L-Baikiain", + "names": [ + "4,5-Dehydropipecolic acid", + "L-Baikiain" + ] + }, + { + "compound_id": "C08269", + "inchi": "InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1", + "name": "(-)-Betonicine", + "names": [ + "(-)-Betonicine", + "Betonicine" + ] + }, + { + "compound_id": "C08270", + "inchi": "InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1", + "name": "L-Canaline", + "names": [ + "Canaline", + "L-Canaline" + ] + }, + { + "compound_id": "C08271", + "inchi": "InChI=1S/C8H14N2O4/c9-5(7(12)13)1-2-6(11)10-8(14)3-4-8/h5,14H,1-4,9H2,(H,10,11)(H,12,13)/t5-/m0/s1", + "name": "Coprine", + "names": [ + "Coprine" + ] + }, + { + "compound_id": "C08272", + "inchi": "InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)", + "name": "Kinetin", + "names": [ + "6-Furfuryladenine", + "Kinetin" + ] + }, + { + "compound_id": "C08273", + "inchi": "InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5,8H,3-4,6,10H2,(H,11,12)/t8-/m0/s1", + "name": "2,5-Dihydrophenylalanine", + "names": [ + "2,5-Dihydrophenylalanine", + "L-2,5-Dihydrophenylalanine" + ] + }, + { + "compound_id": "C08275", + "inchi": "InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1", + "name": "L-Djenkolic acid", + "names": [ + "Djenkolic acid", + "L-Djenkolic acid" + ] + }, + { + "compound_id": "C08276", + "inchi": "InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)", + "name": "3-(Methylthio)propionic acid", + "names": [ + "3-(Methylthio)propionic acid", + "3-Methylthiopropionate" + ] + }, + { + "compound_id": "C08277", + "inchi": "InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)", + "name": "Sebacic acid", + "names": [ + "Decanedioic acid", + "Sebacic acid" + ] + }, + { + "compound_id": "C08278", + "inchi": "InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)", + "name": "Suberic acid", + "names": [ + "1,6-Hexanedicarboxylic acid", + "1,8-Octanedioic acid", + "Cork acid", + "Octanedioic acid", + "Suberic acid" + ] + }, + { + "compound_id": "C08279", + "inchi": "InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+", + "name": "Tiglic acid", + "names": [ + "(E)-2,3-Dimethylacrylic acid", + "Tiglic acid" + ] + }, + { + "compound_id": "C08280", + "inchi": "InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-,9?/m0/s1", + "name": "Hypoglycine B", + "names": [ + "Hypoglycine B", + "L-gamma-Glutamyl-L-hypoglycin" + ] + }, + { + "compound_id": "C08281", + "inchi": "InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)", + "name": "Docosanoic acid", + "names": [ + "Behenic acid", + "Docosanoate", + "Docosanoic acid" + ] + }, + { + "compound_id": "C08282", + "inchi": "InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1", + "name": "Chaulmoogric acid", + "names": [ + "Chaulmoogric acid" + ] + }, + { + "compound_id": "C08283", + "inchi": "InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3", + "name": "Homostachydrine", + "names": [ + "Homostachydrine" + ] + }, + { + "compound_id": "C08284", + "inchi": "InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3?,4-/m0/s1", + "name": "gamma-Hydroxy-L-arginine", + "names": [ + "gamma-Hydroxy-L-arginine" + ] + }, + { + "compound_id": "C08285", + "inchi": "InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)", + "name": "10,16-Dihydroxyhexadecanoic acid", + "names": [ + "10,16-Dihydroxyhexadecanoic acid", + "Hexadecanoic acid, 10,16-dihydroxy-" + ] + }, + { + "compound_id": "C08286", + "inchi": "InChI=1S/C7H16N4O3/c8-5(6(13)14)3-4(12)1-2-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5+/m1/s1", + "name": "(+)-gamma-Hydroxy-L-homoarginine", + "names": [ + "(+)-gamma-Hydroxy-L-homoarginine" + ] + }, + { + "compound_id": "C08287", + "inchi": "InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6?/m0/s1", + "name": "L-Hypoglycin", + "names": [ + "Hypoglycine A", + "L-Hypoglycin" + ] + }, + { + "compound_id": "C08288", + "inchi": "InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1", + "name": "Indospicine", + "names": [ + "Indospicine", + "L-Indospicine" + ] + }, + { + "compound_id": "C08289", + "inchi": "InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)/t4-/m0/s1", + "name": "Isowillardiine", + "names": [ + "Isowillardiine" + ] + }, + { + "compound_id": "C08290", + "inchi": "InChI=1S/C7H10N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5H,3,8H2,(H,12,13)(H2,9,10,11)/t5-/m0/s1", + "name": "Lathyrine", + "names": [ + "L-Lathyrine", + "Lathyrine" + ] + }, + { + "compound_id": "C08291", + "inchi": "InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1", + "name": "3-Methylamino-L-alanine", + "names": [ + "3-Methylamino-L-alanine" + ] + }, + { + "compound_id": "C08292", + "inchi": "InChI=1S/C6H9NO2/c1-3-2-4(3)5(7)6(8)9/h4-5H,1-2,7H2,(H,8,9)", + "name": "alpha-(Methylenecyclopropyl)glycine", + "names": [ + "alpha-(Methylenecyclopropyl)glycine" + ] + }, + { + "compound_id": "C08294", + "inchi": "InChI=1S/C6H9NO6/c7-3(4(8)9)1-2-13-6(12)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-/m0/s1", + "name": "O-Oxalylhomoserine", + "names": [ + "O-Oxalyl-L-homoserine", + "O-Oxalylhomoserine" + ] + }, + { + "compound_id": "C08295", + "inchi": "InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-,11?/m0/s1", + "name": "S-[(E)-Prop-1-enyl]-L-cysteine S-oxide", + "names": [ + "S-[(E)-Prop-1-enyl]-L-cysteine S-oxide" + ] + }, + { + "compound_id": "C08296", + "inchi": "InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1", + "name": "Quisqualic acid", + "names": [ + "Quisqualic acid" + ] + }, + { + "compound_id": "C08298", + "inchi": "InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)/t2-,4-/m0/s1", + "name": "Tricholomic acid", + "names": [ + "Tricholomic acid", + "alpha-Amino-3-oxo-5-isoxazolidineacetic acid" + ] + }, + { + "compound_id": "C08299", + "inchi": "InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3", + "name": "Bufotenine", + "names": [ + "Bufotenin", + "Bufotenine", + "N,N-Dimethylserotonin" + ] + }, + { + "compound_id": "C08300", + "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1", + "name": "D-Cathine", + "names": [ + "(+)-Norpseudoephedrine", + "Cathine", + "D-Cathine" + ] + }, + { + "compound_id": "C08301", + "inchi": "InChI=1S/C9H11NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1", + "name": "D-Cathinone", + "names": [ + "Cathinone", + "D-Cathinone" + ] + }, + { + "compound_id": "C08302", + "inchi": "InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3", + "name": "N,N-Dimethyltryptamine", + "names": [ + "DMT", + "N,N-Dimethyltryptamine" + ] + }, + { + "compound_id": "C08303", + "inchi": "InChI=1S/C6H13N3/c1-5(2)3-4-9-6(7)8/h3H,4H2,1-2H3,(H4,7,8,9)", + "name": "Galegine", + "names": [ + "Galegine" + ] + }, + { + "compound_id": "C08304", + "inchi": "InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3", + "name": "Gramine", + "names": [ + "Gramine" + ] + }, + { + "compound_id": "C08305", + "inchi": "InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+", + "name": "Gyromitrin", + "names": [ + "Acetaldehyde methylformylhydrazone", + "Gyromitrin" + ] + }, + { + "compound_id": "C08306", + "inchi": "InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3", + "name": "Hexylamine", + "names": [ + "1-Hexanamine", + "Hexylamine" + ] + }, + { + "compound_id": "C08307", + "inchi": "InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m1/s1", + "name": "Hordatine A", + "names": [ + "Hordatine A" + ] + }, + { + "compound_id": "C08308", + "inchi": "InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25+/m1/s1", + "name": "Hordatine B", + "names": [ + "Hordatine B" + ] + }, + { + "compound_id": "C08309", + "inchi": "InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3", + "name": "N,N-Dimethyl-5-methoxytryptamine", + "names": [ + "3-[2-(N,N-Dimethylamino)ethyl]-5-methoxy-indole", + "5-Methoxy-N,N-dimethyltryptamine", + "Methoxybufotenin", + "N,N-Dimethyl-5-methoxytryptamine", + "O-Methylbufotenine" + ] + }, + { + "compound_id": "C08310", + "inchi": "InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3", + "name": "N-Methylmescaline", + "names": [ + "N-Methylmescaline" + ] + }, + { + "compound_id": "C08311", + "inchi": "InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)", + "name": "Muscimol", + "names": [ + "Muscimol" + ] + }, + { + "compound_id": "C08312", + "inchi": "InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3", + "name": "Psilocin", + "names": [ + "Psilocin" + ] + }, + { + "compound_id": "C08313", + "inchi": "InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3", + "name": "Skatole", + "names": [ + "3-Methylindole", + "Skatole" + ] + }, + { + "compound_id": "C08314", + "inchi": "InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m1/s1", + "name": "(9R,10R)-Dihydroxyoctadecanoic acid", + "names": [ + "(9R,10R)-Dihydroxyoctadecanoic acid", + "9,10-Dihydroxystearic acid" + ] + }, + { + "compound_id": "C08315", + "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-", + "name": "(9Z,11E,13E)-Octadecatrienoic acid", + "names": [ + "(9Z,11E,13E)-9,11,13-Octadecatrienoic acid", + "(9Z,11E,13E)-Octadecatrienoic acid", + "alpha-Eleostearic acid" + ] + }, + { + "compound_id": "C08316", + "inchi": "InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-", + "name": "(13Z)-Docosenoic acid", + "names": [ + "(13Z)-Docosenoic acid", + "Erucic acid", + "cis-13-Docosenoic acid" + ] + }, + { + "compound_id": "C08317", + "inchi": "InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)", + "name": "12-Hydroxydodecanoic acid", + "names": [ + "12-Hydroxydodecanoic acid", + "omega-Hydroxydodecanoic acid" + ] + }, + { + "compound_id": "C08318", + "inchi": "InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8-10,12-13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-/t17-/m0/s1", + "name": "(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid", + "names": [ + "(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid", + "8-Hydroxylinoleic acid", + "Laetisaric acid" + ] + }, + { + "compound_id": "C08319", + "inchi": "InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)/b6-5+,8-7+,10-9-", + "name": "(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid", + "names": [ + "(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid", + "4-Oxo-9,11,13-octadecatrienoic acid", + "4-Oxo-cis-9,trans-11,trans-13-octadecatrienoic acid", + "alpha-Licanic acid" + ] + }, + { + "compound_id": "C08320", + "inchi": "InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)", + "name": "Tetracosanoic acid", + "names": [ + "Lignoceric acid", + "Tetracosanoic acid" + ] + }, + { + "compound_id": "C08321", + "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)", + "name": "Malvalic acid", + "names": [ + "Malvalic acid" + ] + }, + { + "compound_id": "C08322", + "inchi": "InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-", + "name": "Myristoleic acid", + "names": [ + "(9Z)-Tetradecenoic acid", + "(Z)-Tetradec-9-enoic acid", + "9-Tetradecenoic acid", + "Myristoleic acid" + ] + }, + { + "compound_id": "C08323", + "inchi": "InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-", + "name": "(15Z)-Tetracosenoic acid", + "names": [ + "(15Z)-Tetracosenoic acid", + "(Z)-15-Tetracosenoic acid", + "Nervonic acid" + ] + }, + { + "compound_id": "C08324", + "inchi": "InChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13+,14-/m1/s1", + "name": "Acalyphin", + "names": [ + "Acalyphin" + ] + }, + { + "compound_id": "C08325", + "inchi": "InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1", + "name": "Amygdalin", + "names": [ + "(R)-Amygdalin", + "(R)-Amygdaloside", + "(R)-Laenitrile", + "Amygdalin" + ] + }, + { + "compound_id": "C08326", + "inchi": "InChI=1S/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2/b11-8+/t20-,21-,22-,23-,24-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-/m1/s1", + "name": "Anthemis glycoside A", + "names": [ + "Anthemis glycoside A" + ] + }, + { + "compound_id": "C08327", + "inchi": "InChI=1S/C34H41NO17/c35-12-19(17-4-2-1-3-5-17)50-34-31(45)28(42)25(39)22(52-34)15-47-32-29(43)26(40)21(14-46-32)49-23(37)11-8-16-6-9-18(10-7-16)48-33-30(44)27(41)24(38)20(13-36)51-33/h1-11,19-22,24-34,36,38-45H,13-15H2/b11-8+/t19-,20-,21-,22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-/m1/s1", + "name": "Anthemis glycoside B", + "names": [ + "Anthemis glycoside B" + ] + }, + { + "compound_id": "C08328", + "inchi": "InChI=1S/C11H17NO7/c1-5(3-13)6(2-12)18-11-10(17)9(16)8(15)7(4-14)19-11/h6-11,13-17H,1,3-4H2/t6-,7-,8-,9+,10-,11-/m1/s1", + "name": "Cardiospermin", + "names": [ + "Cardiospermin" + ] + }, + { + "compound_id": "C08329", + "inchi": "InChI=1S/C12H17NO6/c13-6-12(3-1-2-4-12)19-11-10(17)9(16)8(15)7(5-14)18-11/h1,3,7-11,14-17H,2,4-5H2/t7-,8-,9+,10-,11+,12+/m1/s1", + "name": "Deidaclin", + "names": [ + "Deidaclin", + "NSC 370273" + ] + }, + { + "compound_id": "C08330", + "inchi": "InChI=1S/C14H17NO7/c15-5-9(17)7-1-3-8(4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9?,10-,11-,12+,13-,14-/m1/s1", + "name": "p-Glucosyloxymandelonitrile", + "names": [ + "p-Glucosyloxymandelonitrile" + ] + }, + { + "compound_id": "C08331", + "inchi": "InChI=1S/C12H17NO8/c13-4-12(2-1-5(15)10(12)19)21-11-9(18)8(17)7(16)6(3-14)20-11/h1-2,5-11,14-19H,3H2/t5-,6+,7+,8-,9+,10+,11-,12+/m0/s1", + "name": "Gynocardin", + "names": [ + "2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-,(1alpha,4alpha,5beta)-", + "Gynocardin" + ] + }, + { + "compound_id": "C08332", + "inchi": "InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7-,8-,9+,10-,11-/m1/s1", + "name": "Heterodendrin", + "names": [ + "Heterodendrin" + ] + }, + { + "compound_id": "C08333", + "inchi": "InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1", + "name": "Linustatin", + "names": [ + "Linustatin" + ] + }, + { + "compound_id": "C08334", + "inchi": "InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11-/m1/s1", + "name": "Lotaustralin", + "names": [ + "Lotaustralin" + ] + }, + { + "compound_id": "C08335", + "inchi": "InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2/t10-,11?,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1", + "name": "Lucumin", + "names": [ + "Benzeneacetonitrile,alpha-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-,(R)-", + "Lucumin", + "Mandelonitrile primeveroside" + ] + }, + { + "compound_id": "C08336", + "inchi": "InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1", + "name": "Neolinustatin", + "names": [ + "Neolinustatin" + ] + }, + { + "compound_id": "C08337", + "inchi": "InChI=1S/C16H25NO10/c1-6(2)8(3-17)26-16-14(23)12(21)11(20)9(27-16)5-25-15-13(22)10(19)7(18)4-24-15/h7-16,18-23H,1,4-5H2,2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1", + "name": "Proacaciberin", + "names": [ + "Proacaciberin" + ] + }, + { + "compound_id": "C08338", + "inchi": "InChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h6-11,13-16H,1,4H2,2H3/t6-,7-,8-,9+,10-,11-/m1/s1", + "name": "Proacacipetalin", + "names": [ + "3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (S)-", + "Proacacipetalin" + ] + }, + { + "compound_id": "C08339", + "inchi": "InChI=1S/C20H27NO12/c21-5-10(31-20-18(29)16(27)14(25)12(7-23)33-20)8-1-3-9(4-2-8)30-19-17(28)15(26)13(24)11(6-22)32-19/h1-4,10-20,22-29H,6-7H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1", + "name": "Proteacin", + "names": [ + "Proteacin" + ] + }, + { + "compound_id": "C08340", + "inchi": "InChI=1S/C11H17NO7/c12-3-6(4-13)1-2-18-11-10(17)9(16)8(15)7(5-14)19-11/h1,7-11,13-17H,2,4-5H2/b6-1+/t7-,8-,9+,10-,11-/m1/s1", + "name": "Sarmentosin", + "names": [ + "2-Butenenitrile,4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)-, (E)-", + "Sarmentosin" + ] + }, + { + "compound_id": "C08341", + "inchi": "InChI=1S/C11H17NO8/c12-3-11(4-14)6(20-11)2-18-10-9(17)8(16)7(15)5(1-13)19-10/h5-10,13-17H,1-2,4H2/t5-,6?,7-,8+,9-,10-,11?/m1/s1", + "name": "Sarmentosin epoxide", + "names": [ + "Sarmentosin epoxide" + ] + }, + { + "compound_id": "C08342", + "inchi": "InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1-,7-6-/t8-,11-,12+,13-,14-/m1/s1", + "name": "Triglochinin", + "names": [ + "2-Hexenedioic acid,4-(cyano(beta-D-glucopyranosyloxy)methylene)-, (E,Z)-", + "Triglochinin" + ] + }, + { + "compound_id": "C08344", + "inchi": "InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2/t6-,7+,8+,9-,10+,11-,12-/m0/s1", + "name": "Volkenin", + "names": [ + "Volkenin" + ] + }, + { + "compound_id": "C08345", + "inchi": "InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1", + "name": "Zierin", + "names": [ + "Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)", + "Zierin" + ] + }, + { + "compound_id": "C08346", + "inchi": "InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4+,5+/m0/s1", + "name": "beta-D-Apiose", + "names": [ + "beta-D-Apiose" + ] + }, + { + "compound_id": "C08347", + "inchi": "InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5-/m0/s1", + "name": "2-Deoxy-alpha-D-ribopyranose", + "names": [ + "2-Deoxy-alpha-D-ribopyranose" + ] + }, + { + "compound_id": "C08348", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1", + "name": "Galacturonic acid", + "names": [ + "Galacturonic acid" + ] + }, + { + "compound_id": "C08349", + "inchi": "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1", + "name": "beta-D-Glucosamine", + "names": [ + "beta-D-Glucosamine" + ] + }, + { + "compound_id": "C08350", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1", + "name": "beta-D-Glucopyranuronic acid", + "names": [ + "beta-D-Glucopyranuronic acid", + "beta-D-Glucuronic acid" + ] + }, + { + "compound_id": "C08351", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m1/s1", + "name": "beta-D-Hamamelopyranose", + "names": [ + "Hamamelose", + "beta-D-Hamamelopyranose" + ] + }, + { + "compound_id": "C08352", + "inchi": "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1", + "name": "Quinovose", + "names": [ + "Quinovose", + "alpha-D-Quinovopyranose" + ] + }, + { + "compound_id": "C08353", + "inchi": "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1", + "name": "beta-D-Ribopyranose", + "names": [ + "Ribose", + "beta-D-Ribopyranose" + ] + }, + { + "compound_id": "C08354", + "inchi": "InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m1/s1", + "name": "alpha-D-Ribulose", + "names": [ + "alpha-D-Ribulose" + ] + }, + { + "compound_id": "C08355", + "inchi": "InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7-/m1/s1", + "name": "beta-D-Sedoheptulopyranose", + "names": [ + "beta-D-Sedoheptulopyranose", + "beta-D-Sedoheptulose" + ] + }, + { + "compound_id": "C08356", + "inchi": "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1", + "name": "alpha-L-Sorbopyranose", + "names": [ + "alpha-L-Sorbopyranose" + ] + }, + { + "compound_id": "C08357", + "inchi": "InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1", + "name": "Estradiol-17beta 3-sulfate", + "names": [ + "Estradiol-17beta 3-sulfate" + ] + }, + { + "compound_id": "C08358", + "inchi": "InChI=1S/C19H24O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H,21,22,23)/t12-,13-,15-,19+/m1/s1", + "name": "2-Methoxyestrone 3-sulfate", + "names": [ + "2-Methoxyestrone 3-sulfate" + ] + }, + { + "compound_id": "C08359", + "inchi": "InChI=1S/C19H26O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15,18,20H,3-8H2,1-2H3,(H,21,22,23)/t12-,13+,15-,18-,19-/m0/s1", + "name": "2-Methoxyestradiol-17beta 3-sulfate", + "names": [ + "2-Methoxyestradiol-17beta 3-sulfate" + ] + }, + { + "compound_id": "C08362", + "inchi": "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-", + "name": "(9Z)-Hexadecenoic acid", + "names": [ + "(9Z)-Hexadecenoic acid", + "Palmitoleic acid", + "cis-9-Hexadecenoic acid" + ] + }, + { + "compound_id": "C08363", + "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-", + "name": "(6Z)-Octadecenoic acid", + "names": [ + "(6Z)-Octadecenoic acid", + "Petroselinic acid", + "cis-6-Octadecenoic acid" + ] + }, + { + "compound_id": "C08364", + "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5-,8-7+,10-9-", + "name": "Punicic acid", + "names": [ + "Punicic acid", + "Trichosanic acid", + "cis-9,trans-11,cis-13-Octadecatrienoic acid" + ] + }, + { + "compound_id": "C08365", + "inchi": "InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1", + "name": "(9Z)-(12R)-Hydroxyoctadecenoic acid", + "names": [ + "(9Z)-(12R)-Hydroxyoctadecenoic acid", + "12-Hydroxy-9-octadecenoic acid", + "12-Hydroxy-cis-9-octadecenoic acid", + "Ricinoleic acid" + ] + }, + { + "compound_id": "C08366", + "inchi": "InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)", + "name": "Sterculic acid", + "names": [ + "Sterculic acid" + ] + }, + { + "compound_id": "C08367", + "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+", + "name": "(11E)-Octadecenoic acid", + "names": [ + "(11E)-Octadecenoic acid", + "Vaccenic acid", + "trans-11-Octadecenoic acid" + ] + }, + { + "compound_id": "C08368", + "inchi": "InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1", + "name": "(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid", + "names": [ + "(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid", + "Vernolic acid", + "cis-12,13-Epoxy-cis-9-octadecenoic acid" + ] + }, + { + "compound_id": "C08369", + "inchi": "InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2", + "name": "Diallyl disulfide", + "names": [ + "Diallyl disulfide" + ] + }, + { + "compound_id": "C08370", + "inchi": "InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2", + "name": "Diallyl sulfide", + "names": [ + "Allyl sulfide", + "Diallyl sulfide" + ] + }, + { + "compound_id": "C08371", + "inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3", + "name": "Dimethyl disulfide", + "names": [ + "Dimethyl disulfide", + "Methyl disulfide" + ] + }, + { + "compound_id": "C08372", + "inchi": "InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3", + "name": "Dimethyl trisulfide", + "names": [ + "DMTS", + "Dimethyl trisulfide" + ] + }, + { + "compound_id": "C08373", + "inchi": "InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3", + "name": "Dipropyl disulfide", + "names": [ + "Dipropyl disulfide", + "n-Propyl disulfide" + ] + }, + { + "compound_id": "C08374", + "inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3", + "name": "Dodecane", + "names": [ + "Dodecane", + "n-Dodecane" + ] + }, + { + "compound_id": "C08375", + "inchi": "InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3/b4-3-,7-6-,10-9-", + "name": "(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol", + "names": [ + "(3Z,6Z,9Z)-3,6,9-Dodecatrien-1-ol", + "(Z,Z,Z)-3,6,9-Dodecatrien-1-ol" + ] + }, + { + "compound_id": "C08376", + "inchi": "InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3", + "name": "Hentriacontane", + "names": [ + "Hentriacontane" + ] + }, + { + "compound_id": "C08377", + "inchi": "InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(33)29-30(32)27-25-23-21-19-17-14-12-10-8-6-4-2/h3-29H2,1-2H3", + "name": "14,16-Hentriacontanedione", + "names": [ + "14,16-Hentriacontanedione", + "Hentriacontane-14,16-dione" + ] + }, + { + "compound_id": "C08378", + "inchi": "InChI=1S/C31H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h32H,2-31H2,1H3", + "name": "Hentriacontan-1-ol", + "names": [ + "1-Hentriacontanol", + "Hentriacontan-1-ol" + ] + }, + { + "compound_id": "C08379", + "inchi": "InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3", + "name": "Hentriacontan-16-one", + "names": [ + "16-Hentriacontanone", + "Hentriacontan-16-one" + ] + }, + { + "compound_id": "C08380", + "inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3", + "name": "2-Heptanone", + "names": [ + "2-Heptanone", + "Heptan-2-one", + "Methyl n-amyl ketone" + ] + }, + { + "compound_id": "C08381", + "inchi": "InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3", + "name": "Hexacosan-1-ol", + "names": [ + "1-Hexacosanol", + "Hexacosan-1-ol" + ] + }, + { + "compound_id": "C08382", + "inchi": "InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2", + "name": "Lenthionine", + "names": [ + "1,2,3,5,6-Pentathiepane", + "Lenthionine" + ] + }, + { + "compound_id": "C08383", + "inchi": "InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3", + "name": "Methyl allyl disulfide", + "names": [ + "Allyl methyl disulfide", + "Methyl allyl disulfide" + ] + }, + { + "compound_id": "C08384", + "inchi": "InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3", + "name": "Nonacosane", + "names": [ + "Nonacosane" + ] + }, + { + "compound_id": "C08385", + "inchi": "InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m0/s1", + "name": "(10S)-Nonacosan-10-ol", + "names": [ + "(10S)-Nonacosan-10-ol", + "Ginnol" + ] + }, + { + "compound_id": "C08386", + "inchi": "InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3", + "name": "Nonacosan-10-one", + "names": [ + "Ginnone", + "Nonacosan-10-one" + ] + }, + { + "compound_id": "C08387", + "inchi": "InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3", + "name": "Octacosan-1-ol", + "names": [ + "1-Octacosanol", + "Octacosan-1-ol", + "Octacosanol" + ] + }, + { + "compound_id": "C08388", + "inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", + "name": "Pentadecane", + "names": [ + "Pentadecane", + "n-Pentadecane" + ] + }, + { + "compound_id": "C08389", + "inchi": "InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3", + "name": "Propanethial S-oxide", + "names": [ + "Propanethial S-oxide", + "Thiopropanal S-oxide" + ] + }, + { + "compound_id": "C08390", + "inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3", + "name": "Propane-1-thiol", + "names": [ + "Propane-1-thiol", + "Propanethiol", + "Propyl mercaptan" + ] + }, + { + "compound_id": "C08391", + "inchi": "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3", + "name": "Propane-2-thiol", + "names": [ + "2-Propanethiol", + "Isopropyl mercaptan", + "Propane-2-thiol" + ] + }, + { + "compound_id": "C08392", + "inchi": "InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3", + "name": "Triacontan-1-ol", + "names": [ + "1-Triacontanol", + "Myricyl alcohol", + "Triacontan-1-ol" + ] + }, + { + "compound_id": "C08393", + "inchi": "InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3", + "name": "Tritriacontane", + "names": [ + "Tritriacontane" + ] + }, + { + "compound_id": "C08394", + "inchi": "InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3", + "name": "Tritriacontane-16,18-dione", + "names": [ + "N-Tritriacontane-16,18-dione", + "Tritriacontane-16,18-dione" + ] + }, + { + "compound_id": "C08395", + "inchi": "InChI=1S/C13H14/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5-6,8,10,12H,4H2,1-2H3/b5-3+,8-6+,12-10+", + "name": "Aethusin", + "names": [ + "2,8,10-Tridecatriene-4,6-diyne", + "Aethusin" + ] + }, + { + "compound_id": "C08396", + "inchi": "InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-5,10-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+", + "name": "Anacyclin", + "names": [ + "(2E,4E)-N-(2-Methylpropyl)-2,4-tetradecadiene-8,10-diynamide", + "Anacyclin" + ] + }, + { + "compound_id": "C08397", + "inchi": "InChI=1S/C12H8S2/c1-2-3-5-10-7-8-12(14-10)11-6-4-9-13-11/h2,4,6-9H,1H2", + "name": "5-(3-Buten-1-ynyl)-2,2'-bithiophene", + "names": [ + "5-(3-Buten-1-ynyl)-2,2'-bithienyl", + "5-(3-Buten-1-ynyl)-2,2'-bithiophene" + ] + }, + { + "compound_id": "C08398", + "inchi": "InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3", + "name": "Capillin", + "names": [ + "Capillin" + ] + }, + { + "compound_id": "C08399", + "inchi": "InChI=1S/C13H10O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,8H2", + "name": "Carlina oxide", + "names": [ + "Carlina oxide" + ] + }, + { + "compound_id": "C08400", + "inchi": "InChI=1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/t8-,10-,11+,12-,13+,26?/m1/s1", + "name": "Glucoalyssin", + "names": [ + "5-Methylsulfinylpentyl glucosinolate", + "Glucoalyssin" + ] + }, + { + "compound_id": "C08401", + "inchi": "InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/t8-,10-,11+,12-,13+/m1/s1", + "name": "Glucoberteroin", + "names": [ + "5-Methylthiopentyl glucosinolate", + "Glucoberteroin" + ] + }, + { + "compound_id": "C08402", + "inchi": "InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1", + "name": "Cicutoxin", + "names": [ + "Cicutoxin" + ] + }, + { + "compound_id": "C08403", + "inchi": "InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1", + "name": "Glucobrassicanapin", + "names": [ + "4-Pentenyl glucosinolate", + "Glucobrassicanapin" + ] + }, + { + "compound_id": "C08404", + "inchi": "InChI=1S/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)/t4-,5-,6+,7-,8+/m1/s1", + "name": "Glucocapparin", + "names": [ + "Glucocapparin", + "Methyl glucosinolate" + ] + }, + { + "compound_id": "C08405", + "inchi": "InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/t6-,8-,9+,10-,11+/m1/s1", + "name": "Glucocheirolin", + "names": [ + "3-Methylsufonylpropyl glucosinolate", + "Glucocheirolin" + ] + }, + { + "compound_id": "C08406", + "inchi": "InChI=1S/C12H23NO10S2/c1-3-12(2,18)4-7(13-23-25(19,20)21)24-11-10(17)9(16)8(15)6(5-14)22-11/h6,8-11,14-18H,3-5H2,1-2H3,(H,19,20,21)/t6-,8-,9+,10-,11+,12+/m1/s1", + "name": "Glucocleomin", + "names": [ + "2-Hydroxy-2-methylbutyl glucosinolate", + "Glucocleomin" + ] + }, + { + "compound_id": "C08407", + "inchi": "InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/t5-,6+,7+,8-,9+,11-/m0/s1", + "name": "Glucocochlearin", + "names": [ + "1-Methylpropyl glucosinolate", + "Glucocochlearin" + ] + }, + { + "compound_id": "C08408", + "inchi": "InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/t5-,7-,8+,9-,10+/m1/s1", + "name": "Glucoconringiin", + "names": [ + "2-Hydroxy-2-methylpropyl glucosinolate", + "Glucoconringiin" + ] + }, + { + "compound_id": "C08409", + "inchi": "InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/t7-,9-,10+,11-,12+/m1/s1", + "name": "Glucoerucin", + "names": [ + "4-Methylthiobutyl glucosinolate", + "Glucoerucin" + ] + }, + { + "compound_id": "C08410", + "inchi": "InChI=1S/C12H23NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h7,9-12,14-17H,2-6H2,1H3,(H,20,21,22)/t7-,9-,10+,11-,12+/m1/s1", + "name": "Glucoerysolin", + "names": [ + "4-Methylsulfonylbutyl glucosinolate", + "Glucoerysolin" + ] + }, + { + "compound_id": "C08411", + "inchi": "InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/t6-,8-,9+,10-,11+,24?/m1/s1", + "name": "Glucoiberin", + "names": [ + "3-Methylsulfinylpropyl glucosinolate", + "Glucoiberin" + ] + }, + { + "compound_id": "C08412", + "inchi": "InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1", + "name": "Glucoiberverin", + "names": [ + "3-Methylthiopropyl glucosinolate", + "Glucoiberverin" + ] + }, + { + "compound_id": "C08413", + "inchi": "InChI=1S/C9H17NO9S2/c1-2-5(10-19-21(15,16)17)20-9-8(14)7(13)6(12)4(3-11)18-9/h4,6-9,11-14H,2-3H2,1H3,(H,15,16,17)/t4-,6-,7+,8-,9+/m1/s1", + "name": "Glucolepidiin", + "names": [ + "Ethyl glucosinolate", + "Glucolepidiin" + ] + }, + { + "compound_id": "C08414", + "inchi": "InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", + "name": "Glucolimnanthin", + "names": [ + "Glucolimnanthin" + ] + }, + { + "compound_id": "C08415", + "inchi": "InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1", + "name": "Gluconapin", + "names": [ + "3-Butenylglucosinolate", + "Gluconapin" + ] + }, + { + "compound_id": "C08416", + "inchi": "InChI=1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/t6-,7+,9+,10-,11+,12-/m0/s1", + "name": "Gluconapoleiferin", + "names": [ + "2-Hydroxy-4-pentenyl glucosinolate", + "Gluconapoleiferin" + ] + }, + { + "compound_id": "C08417", + "inchi": "InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", + "name": "Gluconasturtiin", + "names": [ + "2-Phenylethyl glucosinolate", + "Gluconasturtiin" + ] + }, + { + "compound_id": "C08418", + "inchi": "InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/t5-,6-,7+,8-,10+/m1/s1", + "name": "Glucoputranjivin", + "names": [ + "1-Methylethyl glucosinolate", + "Glucoputranjivin" + ] + }, + { + "compound_id": "C08419", + "inchi": "InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/t7-,9-,10+,11-,12+,25?/m1/s1", + "name": "Glucoraphanin", + "names": [ + "4-Methylsulfinylbutyl glucosinolate", + "Glucoraphanin" + ] + }, + { + "compound_id": "C08420", + "inchi": "InChI=1S/C12H21NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3+,13-8?/t7-,9-,10+,11-,12+,25?/m1/s1", + "name": "Glucoraphenin", + "names": [ + "4-Methylsufinyl-3-butenyl glucosinolate", + "Glucoraphenin" + ] + }, + { + "compound_id": "C08422", + "inchi": "InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/b18-11+/t10-,13-,14+,15-,16+/m1/s1", + "name": "4-Hydroxyglucobrassicin", + "names": [ + "4-Hydroxy-3-indolylmethylglucosinolate", + "4-Hydroxyglucobrassicin" + ] + }, + { + "compound_id": "C08423", + "inchi": "InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/t11-,14-,15+,16-,17+/m1/s1", + "name": "4-Methoxyglucobrassicin", + "names": [ + "4-Methoxy-3-indolylmethyl glucosinolate", + "4-Methoxyglucobrassicin" + ] + }, + { + "compound_id": "C08424", + "inchi": "InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+/m1/s1", + "name": "Neoglucobrassicin", + "names": [ + "1-Methoxy-3-indolylmethyl glucosinolate", + "Neoglucobrassicin" + ] + }, + { + "compound_id": "C08425", + "inchi": "InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/t5-,6+,8+,9-,10+,11-/m0/s1", + "name": "Progoitrin", + "names": [ + "2(R)-2-Hydroxy-3-butenyl glucosinolate", + "Glucorapiferin", + "Progoitrin" + ] + }, + { + "compound_id": "C08426", + "inchi": "InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t9-,11-,12+,13-,14+/m1/s1", + "name": "Sinalbin", + "names": [ + "Sinalbin", + "p-Hydroxybenzyl glucosinolate" + ] + }, + { + "compound_id": "C08427", + "inchi": "InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/t5-,7-,8+,9-,10+/m1/s1", + "name": "Sinigrin", + "names": [ + "2-Propenyl glucosinolate", + "Sinigrin" + ] + }, + { + "compound_id": "C08428", + "inchi": "InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/t11-,13-,14+,15-,16+/m1/s1", + "name": "(N-Sulfoindol-3-yl)methylglucosinolate", + "names": [ + "(N-Sulfoindol-3-yl)methylglucosinolate" + ] + }, + { + "compound_id": "C08429", + "inchi": "InChI=1S/C11H15N2O9P/c12-6-1-2-13(3-5(6)11(16)17)10-9(15)8(14)7(22-10)4-21-23(18,19)20/h1-3,7-10,12,14-15H,4H2,(H,16,17)(H2,18,19,20)/t7-,8-,9-,10-/m1/s1", + "name": "Clitidine 5'-phosphate", + "names": [ + "1,4-Dihydro-4-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-3-pyridinecarboxylic acid", + "Clitidine 5'-phosphate" + ] + }, + { + "compound_id": "C08430", + "inchi": "InChI=1S/C10H15N3O8/c11-7-6(8(18)13-10(19)12-7)21-9-5(17)4(16)3(15)2(1-14)20-9/h2-5,9,14-17H,1H2,(H4,11,12,13,18,19)/t2-,3-,4+,5-,9+/m1/s1", + "name": "Convicine", + "names": [ + "Convicine" + ] + }, + { + "compound_id": "C08431", + "inchi": "InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1", + "name": "Cordycepin", + "names": [ + "3'-Deoxyadenosine", + "Cordycepin" + ] + }, + { + "compound_id": "C08432", + "inchi": "InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1", + "name": "Isoguanosine", + "names": [ + "Crotonoside", + "Isoguanosine" + ] + }, + { + "compound_id": "C08433", + "inchi": "InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37-,38+,39-,40+,41-,42+,43+/m0/s1", + "name": "Amataine", + "names": [ + "Amataine", + "Subssesiline" + ] + }, + { + "compound_id": "C08434", + "inchi": "InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)", + "name": "6-Methylaminopurine", + "names": [ + "6-Methylaminopurine", + "N6-Methyladenine" + ] + }, + { + "compound_id": "C08435", + "inchi": "InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3", + "name": "Triacanthine", + "names": [ + "Triacanthine" + ] + }, + { + "compound_id": "C08437", + "inchi": "InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1", + "name": "Vicine", + "names": [ + "Vicine" + ] + }, + { + "compound_id": "C08438", + "inchi": "InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64?/m0/s1", + "name": "alpha-Amanitin", + "names": [ + "alpha-Amanitin" + ] + }, + { + "compound_id": "C08439", + "inchi": "InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1", + "name": "Phalloidin", + "names": [ + "Phalloidin", + "Phalloidine" + ] + }, + { + "compound_id": "C08440", + "inchi": "InChI=1S/C15H34N9O8PS/c1-9(12(25)23-11(14(27)28)6-2-3-7-20-15(17)18)22-13(26)10(16)5-4-8-21-33(19,29)24-34(30,31)32/h9-11H,2-8,16H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,17,18,20)(H,30,31,32)(H4,19,21,24,29)/t9-,10-,11-,33?/m0/s1", + "name": "Phaseolotoxin", + "names": [ + "N5-[Amino(sulfoamino)phosphinyl]-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine", + "Phaseolotoxin" + ] + }, + { + "compound_id": "C08441", + "inchi": "InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1", + "name": "Tentoxin", + "names": [ + "Tentoxin" + ] + }, + { + "compound_id": "C08442", + "inchi": "InChI=1S/C28H43N5O12S/c1-6-28(4)23(26(41)31-10-19(36)37)33-24(39)20(12(2)3)32-25(40)21(30-5)22(38)14-8-17(45-28)16(35)9-18(14)46(44)11-13(34)7-15(29)27(42)43/h8-9,12-13,15,20-23,30,34-35,38H,6-7,10-11,29H2,1-5H3,(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,42,43)/t13?,15-,20-,21-,22+,23+,28+,46+/m0/s1", + "name": "Ustiloxin", + "names": [ + "Ustiloxin", + "Ustiloxin A" + ] + }, + { + "compound_id": "C08443", + "inchi": "InChI=1S/C31H45Cl3N6O13/c1-11(2)23-21(28(47)38-16(10-32)26(45)37-15(30(49)50)8-13-19(53-23)9-18(42)22(13)43)40-27(46)20(17(41)5-4-6-35)39-25(44)14(7-12(3)24(33)34)36-29(48)31(51)52/h10-12,14-15,17-18,20-21,23-24,31,41-42,51-52H,4-9,35H2,1-3H3,(H,36,48)(H,37,45)(H,38,47)(H,39,44)(H,40,46)(H,49,50)/b16-10+/t12?,14-,15-,17+,18?,20-,21-,23?/m0/s1", + "name": "Victorin C", + "names": [ + "Victorin C" + ] + }, + { + "compound_id": "C08445", + "inchi": "InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11H,1-2,5-9,12H2/b11-10-", + "name": "Dehydrofalcarinone", + "names": [ + "Dehydrofalcarinone" + ] + }, + { + "compound_id": "C08446", + "inchi": "InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+", + "name": "Dehydromatricaria ester", + "names": [ + "(E)-2-Decene-4,6,8-triynoic acid methyl ester", + "Dehydromatricaria ester" + ] + }, + { + "compound_id": "C08447", + "inchi": "InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1", + "name": "Dehydrosafynol", + "names": [ + "(2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol", + "Dehydrosafynol" + ] + }, + { + "compound_id": "C08448", + "inchi": "InChI=1S/C12H10O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h4,6-8,14H,1H2,2H3", + "name": "Eutypine", + "names": [ + "4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde", + "Eutypine" + ] + }, + { + "compound_id": "C08449", + "inchi": "InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1", + "name": "Falcarindiol", + "names": [ + "Falcarindiol" + ] + }, + { + "compound_id": "C08450", + "inchi": "InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1", + "name": "Falcarinol", + "names": [ + "Falcarinol", + "Panaxynol" + ] + }, + { + "compound_id": "C08451", + "inchi": "InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10-", + "name": "Falcarinone", + "names": [ + "(Z)-1,9-Heptadecadiene-4,6-diyn-3-one", + "Falcarinone" + ] + }, + { + "compound_id": "C08452", + "inchi": "InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h8,11,13-15H,9-10,12H2,1H3/b11-8+/t13-,14+/m1/s1", + "name": "Ichthyotherol", + "names": [ + "2H-Pyran-3-ol, tetrahydro-2-(1-nonene-3,5,7-triynyl)-, (2S-(2alpha(E),3beta))-", + "Ichthyotherol" + ] + }, + { + "compound_id": "C08453", + "inchi": "InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9+", + "name": "Lachnophyllum ester", + "names": [ + "2-Decene-4,6-diynoic acid, methyl ester, (E)-", + "Lachnophyllum ester" + ] + }, + { + "compound_id": "C08454", + "inchi": "InChI=1S/C20H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h10-13,16-17,19H,4-7,14-15,18H2,1-3H3,(H,21,22)/b11-10+,13-12+,17-16+", + "name": "(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide", + "names": [ + "(2E,6E,8E)-N-Isobutyl-2,6,8-hexadecatriene-10-yneamide", + "(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide" + ] + }, + { + "compound_id": "C08455", + "inchi": "InChI=1S/C13H10O3/c1-2-3-4-5-6-11-7-9-13(16-11)12(14)8-10-15-13/h6-10,12,14H,1H3/b11-6+", + "name": "Mycosinol", + "names": [ + "(2E)-2-Hexa-2,4-diynylidene-1,6-dioxaspiro(4.4)nona-3,7-dien-9-ol", + "Mycosinol" + ] + }, + { + "compound_id": "C08456", + "inchi": "InChI=1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3", + "name": "Phenylheptatriyne", + "names": [ + "1-Phenylhepta-1,3,5-triyne", + "Phenylheptatriyne" + ] + }, + { + "compound_id": "C08457", + "inchi": "InChI=1S/C13H10/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2-3,6,8-9,11-12H,1H3/b3-2+", + "name": "1-Phenyl-5-heptene-1,3-diyne", + "names": [ + "1-Phenyl-5-heptene-1,3-diyne", + "Benzene, 5-heptene-1,3-diynyl-" + ] + }, + { + "compound_id": "C08458", + "inchi": "InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1", + "name": "Safynol", + "names": [ + "(2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol", + "Safynol" + ] + }, + { + "compound_id": "C08459", + "inchi": "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)", + "name": "Stearolic acid", + "names": [ + "9-Stearolic acid", + "Stearolic acid" + ] + }, + { + "compound_id": "C08460", + "inchi": "InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H", + "name": "alpha-Terthienyl", + "names": [ + "Terthiophene", + "alpha-Terthienyl" + ] + }, + { + "compound_id": "C08461", + "inchi": "InChI=1S/C13H8S2/c1-3-5-6-7-9-13-11-10-12(8-4-2)14-15-13/h3,10-11H,1H2,2H3", + "name": "Thiarubrine A", + "names": [ + "3-(5-Hexene-1,3-diynyl)-6-(1-propynyl)-1,2-dithiin", + "Thiarubrin A", + "Thiarubrine A" + ] + }, + { + "compound_id": "C08462", + "inchi": "InChI=1S/C13H8S2/c1-3-5-7-9-13-11-10-12(14-15-13)8-6-4-2/h4,10-11H,2H2,1H3", + "name": "Thiarubrine B", + "names": [ + "3-(3-Buten-1-ynyl)-6-(1,3-pentadiynyl)-1,2-dithiin", + "Thiarubrin B", + "Thiarubrine B" + ] + }, + { + "compound_id": "C08463", + "inchi": "InChI=1S/C6H2/c1-3-5-6-4-2/h1-2H", + "name": "Triacetylene", + "names": [ + "1,3,5-Hexatriyne", + "Triacetylene" + ] + }, + { + "compound_id": "C08464", + "inchi": "InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3", + "name": "1-Tridecene-3,5,7,9,11-pentayne", + "names": [ + "1-Tridecene-3,5,7,9,11-pentayne", + "Tridec-1-ene-3,5,7,9,11-pentayne" + ] + }, + { + "compound_id": "C08465", + "inchi": "InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9+", + "name": "Wyerone", + "names": [ + "Wyerone" + ] + }, + { + "compound_id": "C08466", + "inchi": "InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8+", + "name": "Wyerone acid", + "names": [ + "Wyerone acid" + ] + }, + { + "compound_id": "C08467", + "inchi": "InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30-,31+,32+,33+,34+,35+,36+/m0/s1", + "name": "Asimicin", + "names": [ + "Asimicin", + "Bullatacin" + ] + }, + { + "compound_id": "C08468", + "inchi": "InChI=1S/C16H21NO6/c1-9(11-6-17-12-5-3-2-4-10(11)12)16(22)23-8-14(20)15(21)13(19)7-18/h2-6,9,13-15,17-21H,7-8H2,1H3/t9-,13-,14-,15-/m1/s1", + "name": "Acremoauxin A", + "names": [ + "2-(3-Indolyl)propanoylmannitol", + "Acremoauxin A" + ] + }, + { + "compound_id": "C08469", + "inchi": "InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)", + "name": "Aristolochic acid", + "names": [ + "Aristolochic acid", + "Aristolochic acid I" + ] + }, + { + "compound_id": "C08470", + "inchi": "InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1", + "name": "Bullatacinone", + "names": [ + "Bullatacinone" + ] + }, + { + "compound_id": "C08471", + "inchi": "InChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m0/s1", + "name": "Chalcogran", + "names": [ + "Chalcogran" + ] + }, + { + "compound_id": "C08472", + "inchi": "InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+", + "name": "Avenanthramide A", + "names": [ + "Avenanthramide A" + ] + }, + { + "compound_id": "C08473", + "inchi": "InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(19)12(25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1", + "name": "Cibarian", + "names": [ + "Cibarian", + "beta-D-Glucopyranose, 1,6-bis(3-nitropropanoate)" + ] + }, + { + "compound_id": "C08474", + "inchi": "InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(12(19)25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2/t6-,9-,10+,11-,12+/m1/s1", + "name": "Coronarian", + "names": [ + "Coronarian", + "alpha-D-Glucopyranose, 2,6-bis(3-nitropropanoate)" + ] + }, + { + "compound_id": "C08475", + "inchi": "InChI=1S/C11H13N3O6/c15-7(16)1-2-11(10(19)20)8-5(12-4-13-8)3-6(14-11)9(17)18/h4,6,14H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H,19,20)/t6-,11-/m0/s1", + "name": "Cucumopine", + "names": [ + "Cucumopine" + ] + }, + { + "compound_id": "C08476", + "inchi": "InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)", + "name": "Chelidonic acid", + "names": [ + "4-Oxo-4H-pyran-2,6-dicarboxylic acid", + "Chelidonic acid" + ] + }, + { + "compound_id": "C08477", + "inchi": "InChI=1S/C14H9NO3/c16-10-6-7-11-12(8-10)15-13(18-14(11)17)9-4-2-1-3-5-9/h1-8,16H", + "name": "Dianthalexin", + "names": [ + "7-Hydroxy-2-phenyl-4H-3,1-benzoxazin-4-one", + "Dianthalexin" + ] + }, + { + "compound_id": "C08478", + "inchi": "InChI=1S/C14H11NO6/c16-7-1-3-9(13(18)19)11(5-7)15-12-6-8(17)2-4-10(12)14(20)21/h1-6,15-17H,(H,18,19)(H,20,21)", + "name": "Dianthramine", + "names": [ + "2,2'-Iminobis(4-hydroxybenzoic acid)", + "Dianthramine" + ] + }, + { + "compound_id": "C08480", + "inchi": "InChI=1S/C10H7NO4/c12-5-1-2-7-6(3-5)9(13)4-8(11-7)10(14)15/h1-4,12H,(H,11,13)(H,14,15)", + "name": "6-Hydroxykynurenic acid", + "names": [ + "6-Hydroxykynurenic acid" + ] + }, + { + "compound_id": "C08481", + "inchi": "InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14?/m1/s1", + "name": "Indican", + "names": [ + "Indican", + "Indican, plant" + ] + }, + { + "compound_id": "C08482", + "inchi": "InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1", + "name": "Cucurbic acid", + "names": [ + "Cucurbic acid" + ] + }, + { + "compound_id": "C08483", + "inchi": "InChI=1S/C16H20O6/c1-3-5-9-13-10(15(20)22-16(13)21)6-8(4-2)11(17)7-12(18)14(9)19/h4,9,11,14,17,19H,3,5-7H2,1-2H3/b8-4-/t9-,11+,14+/m1/s1", + "name": "14-Dihydroxycornestin", + "names": [ + "14-Dihydroxycornestin", + "Cornexistin" + ] + }, + { + "compound_id": "C08484", + "inchi": "InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19-", + "name": "Epoxymurin-A", + "names": [ + "Epoxymurin-A" + ] + }, + { + "compound_id": "C08485", + "inchi": "InChI=1S/C18H16O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-7,9-10,12H,8,11H2,1H3", + "name": "2-(4-Methoxyphenethyl)chromone", + "names": [ + "2-(4-Methoxyphenethyl)chromone" + ] + }, + { + "compound_id": "C08486", + "inchi": "InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+", + "name": "Ethyl(E,Z)-decadienoate", + "names": [ + "(2E,4Z)-2,4-Decadienoic acid, ethyl ester", + "Ethyl trans-2,cis-4-decadienoate", + "Ethyl(E,Z)-decadienoate" + ] + }, + { + "compound_id": "C08487", + "inchi": "InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+", + "name": "Ethyl tiglate", + "names": [ + "(E)-2-Methyl-2-butenoic acid ethyl ester", + "Ethyl 2-methylbut-2-enoate", + "Ethyl tiglate" + ] + }, + { + "compound_id": "C08488", + "inchi": "InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-11-12-13-20-25-33(38)34(39)26-21-15-14-17-22-31(36)23-18-16-19-24-32(37)28-30-27-29(2)41-35(30)40/h14-15,27,29,31-34,36-39H,3-13,16-26,28H2,1-2H3/b15-14-/t29-,31-,32+,33+,34+/m0/s1", + "name": "Giganin", + "names": [ + "Giganin" + ] + }, + { + "compound_id": "C08489", + "inchi": "InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-6H,1,4,7-9H2,2H3/b6-5-", + "name": "(Z)-3,5-Hexadienyl butyrate", + "names": [ + "(Z)-3,5-Hexadienyl butyrate" + ] + }, + { + "compound_id": "C08490", + "inchi": "InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-", + "name": "Jasmone", + "names": [ + "Jasmone", + "cis-Jasmone" + ] + }, + { + "compound_id": "C08491", + "inchi": "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1", + "name": "(-)-Jasmonic acid", + "names": [ + "(-)-Jasmonic acid", + "Jasmonate", + "Jasmonic acid", + "{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid" + ] + }, + { + "compound_id": "C08492", + "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-", + "name": "3-Hexenol", + "names": [ + "(3Z)-3-Hexen-1-ol", + "(3Z)-Hex-3-en-1-ol", + "3-Hexen-1-ol", + "3-Hexenol", + "Leaf alcohol", + "cis-3-Hexen-1-ol", + "cis-3-hexene-1-ol" + ] + }, + { + "compound_id": "C08493", + "inchi": "InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H", + "name": "Indole-3-carboxaldehyde", + "names": [ + "Indole-3-carbaldehyde", + "Indole-3-carboxaldehyde" + ] + }, + { + "compound_id": "C08494", + "inchi": "InChI=1S/C14H15NO7/c16-6-14(20)11(18)9(17)10(22-14)13(19)21-12-8-4-2-1-3-7(8)5-15-12/h1-4,9-11,16-18,20H,5-6H2/t9-,10?,11+,14-/m1/s1", + "name": "Isotan B", + "names": [ + "Isotan B" + ] + }, + { + "compound_id": "C08495", + "inchi": "InChI=1S/C15H21N3O15/c19-9(1-4-16(24)25)30-7-8-12(22)13(23)14(32-10(20)2-5-17(26)27)15(31-8)33-11(21)3-6-18(28)29/h8,12-15,22-23H,1-7H2/t8-,12-,13+,14-,15+/m1/s1", + "name": "Karakin", + "names": [ + "Endecaphillin A", + "Karakin", + "beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)" + ] + }, + { + "compound_id": "C08496", + "inchi": "InChI=1S/C9H15N3O7/c10-6(13)3-12-5(9(18)19)2-11-4(8(16)17)1-7(14)15/h4-5,11-12H,1-3H2,(H2,10,13)(H,14,15)(H,16,17)(H,18,19)/t4-,5?/m0/s1", + "name": "Lycomarasmine B", + "names": [ + "Lycomarasmine", + "Lycomarasmine B" + ] + }, + { + "compound_id": "C08497", + "inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+", + "name": "(E)-2-Hexenal", + "names": [ + "(E)-2-Hexenal", + "Leaf aldehyde", + "trans-2-Hexenal" + ] + }, + { + "compound_id": "C08498", + "inchi": "InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10+/m0/s1", + "name": "Lilac aldehyde", + "names": [ + "Lilac aldehyde" + ] + }, + { + "compound_id": "C08499", + "inchi": "InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+", + "name": "Nona-2,6-dienal", + "names": [ + "2,6-Nonadienal, (2E,6Z)-", + "Nona-2,6-dienal" + ] + }, + { + "compound_id": "C08501", + "inchi": "InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1", + "name": "gamma-Nonalactone", + "names": [ + "Dihydro-5-pentyl-2(3H)-furanone", + "delta-n-Amylbutyrolactone", + "gamma-Nonalactone" + ] + }, + { + "compound_id": "C08502", + "inchi": "InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1", + "name": "Parasorbic acid", + "names": [ + "Parasorbic acid" + ] + }, + { + "compound_id": "C08503", + "inchi": "InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+", + "name": "Pinolidoxin", + "names": [ + "Pinolidoxin" + ] + }, + { + "compound_id": "C08504", + "inchi": "InChI=1S/C13H24N2O11/c1-15(22)14-4-25-13-11(21)9(19)8(18)6(26-13)3-24-12-10(20)7(17)5(16)2-23-12/h5-13,16-21H,2-4H2,1H3/b15-14-/t5-,6-,7+,8-,9+,10-,11-,12+,13-/m1/s1", + "name": "Macrozamin", + "names": [ + "Macrozamin" + ] + }, + { + "compound_id": "C08505", + "inchi": "InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3", + "name": "Purpureacin-1", + "names": [ + "Purpureacin-1" + ] + }, + { + "compound_id": "C08506", + "inchi": "InChI=1S/C12H14N2OS2/c1-15-14-8-9(7-13-12(16)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,16)", + "name": "Methoxybrassinin", + "names": [ + "Methoxybrassinin" + ] + }, + { + "compound_id": "C08507", + "inchi": "InChI=1S/C9H17NO8/c11-4-5-6(12)7(13)8(14)9(18-5)17-3-1-2-10(15)16/h5-9,11-14H,1-4H2/t5-,6-,7+,8-,9-/m1/s1", + "name": "Miserotoxin", + "names": [ + "Miserotoxin" + ] + }, + { + "compound_id": "C08509", + "inchi": "InChI=1S/C12H20O3/c1-2-5-11-8-3-6-10(13)7-4-9-12(14)15-11/h3,6,10-11,13H,2,4-5,7-9H2,1H3/b6-3+/t10-,11?/m1/s1", + "name": "Putaminoxin", + "names": [ + "Putaminoxin" + ] + }, + { + "compound_id": "C08510", + "inchi": "InChI=1S/C16H26N4O2/c1-21-15-8-6-13(10-16(15)22-2)5-7-14(20-12-18)4-3-9-19-11-17/h6,8,10-12,14H,3-5,7,9H2,1-2H3,(H2,17,19)(H2,18,20)", + "name": "Ruscopine", + "names": [ + "Ruscopine" + ] + }, + { + "compound_id": "C08511", + "inchi": "InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,7-8H,4H2,1-3H3,(H,11,14)/t5-,7?,8-/m0/s1", + "name": "Tenuazonic acid", + "names": [ + "Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-", + "Tenuazonic acid" + ] + }, + { + "compound_id": "C08512", + "inchi": "InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6+,8+,9-,10+,11+/m0/s1", + "name": "Ranunculin", + "names": [ + "Ranunculin" + ] + }, + { + "compound_id": "C08513", + "inchi": "InChI=1S/C18H19NO4/c1-10(20)23-14-3-2-11-4-5-19-8-12-6-15-16(22-9-21-15)7-13(12)17(14)18(11)19/h2,6-7,14,17-18H,3-5,8-9H2,1H3/t14-,17-,18-/m1/s1", + "name": "Acetylcaranine", + "names": [ + "Acetylcaranine", + "Belamarine" + ] + }, + { + "compound_id": "C08514", + "inchi": "InChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1", + "name": "3-Acetylnerbowdine", + "names": [ + "3-Acetylnerbowdine" + ] + }, + { + "compound_id": "C08515", + "inchi": "InChI=1S/C19H23NO5/c1-20-8-7-10-5-6-12-14(16(10)20)11-9-13(22-2)17(23-3)18(24-4)15(11)19(21)25-12/h5,9,12,14,16H,6-8H2,1-4H3/t12-,14-,16-/m1/s1", + "name": "Albomaculine", + "names": [ + "Albomaculine" + ] + }, + { + "compound_id": "C08516", + "inchi": "InChI=1S/C18H23NO4/c1-21-11-4-5-18-6-7-19(15(18)8-11)10-12-13(18)9-14(20)17(23-3)16(12)22-2/h4-5,9,11,15,20H,6-8,10H2,1-3H3/t11-,15+,18+/m0/s1", + "name": "Amaryllisine", + "names": [ + "Amaryllisine" + ] + }, + { + "compound_id": "C08517", + "inchi": "InChI=1S/C18H21NO5/c1-21-10-3-4-18-12-6-13-17(24-9-23-13)16(22-2)11(12)7-19(8-15(18)20)14(18)5-10/h3-4,6,10,14-15,20H,5,7-9H2,1-2H3/t10-,14?,15+,18+/m0/s1", + "name": "Ambelline", + "names": [ + "(3alpha,11S)-1,2-Didehydro-3,7-dimethoxycrinan-11-ol", + "Ambelline" + ] + }, + { + "compound_id": "C08518", + "inchi": "InChI=1S/C19H25NO3/c1-20(12-11-15-5-8-17(21-2)9-6-15)14-16-7-10-18(22-3)19(13-16)23-4/h5-10,13H,11-12,14H2,1-4H3", + "name": "Belladine", + "names": [ + "Belladine" + ] + }, + { + "compound_id": "C08519", + "inchi": "InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14+/m0/s1", + "name": "Brunsvigine", + "names": [ + "(-)-Brunsvigine", + "3alpha-Pancracine", + "Brunsvigine" + ] + }, + { + "compound_id": "C08520", + "inchi": "InChI=1S/C18H19NO6/c1-19-4-3-8-5-10(20)15-12(14(8)19)9-6-11-16(24-7-23-11)17(22-2)13(9)18(21)25-15/h5-6,10,12,14-15,20H,3-4,7H2,1-2H3/t10-,12-,14+,15+/m0/s1", + "name": "Candimine", + "names": [ + "Candimine" + ] + }, + { + "compound_id": "C08521", + "inchi": "InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2/t12-,15-,16-/m1/s1", + "name": "Caranine", + "names": [ + "Caranine" + ] + }, + { + "compound_id": "C08522", + "inchi": "InChI=1S/C19H22N2O3/c22-14-8-21-7-11-5-15-16(24-9-23-15)6-12(11)17-18-10(2-1-3-20-18)4-13(14)19(17)21/h4-6,10,14,17-20,22H,1-3,7-9H2/t10-,14?,17+,18-,19+/m0/s1", + "name": "Caribine", + "names": [ + "Caribine" + ] + }, + { + "compound_id": "C08523", + "inchi": "InChI=1S/C17H21NO4/c1-22-14-5-10-7-18-3-2-9-4-11(8-19)17(21)15(16(9)18)12(10)6-13(14)20/h4-6,11,15-17,19-21H,2-3,7-8H2,1H3/t11-,15+,16-,17-/m1/s1", + "name": "Carinatine", + "names": [ + "Carinatine" + ] + }, + { + "compound_id": "C08524", + "inchi": "InChI=1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12?,13-,16+,17?,18+/m1/s1", + "name": "Cavinine", + "names": [ + "Cavinine" + ] + }, + { + "compound_id": "C08525", + "inchi": "InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15?,16-,17-/m0/s1", + "name": "Crinamine", + "names": [ + "(3alpha,5alpha,11R,13beta,19alpha)-1, 2-Didehydro-3-methoxycrinan-11-ol", + "Crinamine" + ] + }, + { + "compound_id": "C08526", + "inchi": "InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1", + "name": "Galanthamine", + "names": [ + "Galantamine", + "Galanthamine" + ] + }, + { + "compound_id": "C08527", + "inchi": "InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15?,16+,17+/m1/s1", + "name": "Haemanthamine", + "names": [ + "(+)-Haemanthamine", + "(3beta,5alpha,11R,13beta,19alpha)-1,2-Didehydro-3-methoxycrinan-11-ol", + "Haemanthamine", + "Hemanthamine" + ] + }, + { + "compound_id": "C08528", + "inchi": "InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/t11-,14-,15+,16+/m0/s1", + "name": "Hippeastrine", + "names": [ + "Hippeastrine" + ] + }, + { + "compound_id": "C08529", + "inchi": "InChI=1S/C20H23NO12/c22-3-9-13(24)16(27)17(28)20(33-9)32-7-2-6-5-1-8-18(31-4-30-8)14(25)10(5)19(29)21-11(6)15(26)12(7)23/h1-2,7,9,11-13,15-17,20,22-28H,3-4H2,(H,21,29)/t7?,9-,11-,12-,13-,15+,16+,17-,20?/m1/s1", + "name": "Kalbreclasine", + "names": [ + "Kalbreclasine" + ] + }, + { + "compound_id": "C08530", + "inchi": "InChI=1S/C18H23NO4/c1-19-7-6-10-4-5-13-16(17(10)19)11-8-14(21-2)15(22-3)9-12(11)18(20)23-13/h4,8-9,13,16-18,20H,5-7H2,1-3H3/t13-,16-,17-,18+/m1/s1", + "name": "Lycorenine", + "names": [ + "Lycorenine" + ] + }, + { + "compound_id": "C08531", + "inchi": "InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m0/s1", + "name": "Lycoricidine", + "names": [ + "Lycoricidine" + ] + }, + { + "compound_id": "C08532", + "inchi": "InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1", + "name": "Lycorine", + "names": [ + "Lycorine" + ] + }, + { + "compound_id": "C08533", + "inchi": "InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1", + "name": "Narciclasine", + "names": [ + "Narciclasine" + ] + }, + { + "compound_id": "C08534", + "inchi": "InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1", + "name": "Narwedine", + "names": [ + "(-)-Narwedine", + "Galanthaminone", + "Narwedine" + ] + }, + { + "compound_id": "C08535", + "inchi": "InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1", + "name": "Pancratistatin", + "names": [ + "Pancratistatin" + ] + }, + { + "compound_id": "C08536", + "inchi": "InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1", + "name": "Pretazettine", + "names": [ + "Pretazettine" + ] + }, + { + "compound_id": "C08537", + "inchi": "InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24?,29?,30+/m0/s1", + "name": "Amaranthin", + "names": [ + "Amaranthin" + ] + }, + { + "compound_id": "C08538", + "inchi": "InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1", + "name": "Betalamic acid", + "names": [ + "Betalamic acid" + ] + }, + { + "compound_id": "C08539", + "inchi": "InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H5,21,22,23,24,25,26,27,28)/t11-,13-/m0/s1", + "name": "Betanidin", + "names": [ + "2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-", + "Betanidin" + ] + }, + { + "compound_id": "C08540", + "inchi": "InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1", + "name": "Betanin", + "names": [ + "Betanin" + ] + }, + { + "compound_id": "C08541", + "inchi": "InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)/t13-,15-,18+,19+,20+,21+,22-,23-,24+,25?,29?,30+/m0/s1", + "name": "Bougainvillein-r-I", + "names": [ + "Bougainvillein-r-I", + "Bougainvillein-v" + ] + }, + { + "compound_id": "C08542", + "inchi": "InChI=1S/C40H42N2O22/c1-59-24-10-15(2-4-22(24)44)3-5-27(46)62-33-31(50)30(49)32(38(57)58)63-40(33)64-34-29(48)28(47)26(14-43)61-39(34)60-25-12-17-11-21(37(55)56)42(20(17)13-23(25)45)7-6-16-8-18(35(51)52)41-19(9-16)36(53)54/h2-8,10,12-13,19,21,26,28-34,39-40,43,47-50H,9,11,14H2,1H3,(H6,44,45,46,51,52,53,54,55,56,57,58)/t19-,21-,26+,28+,29-,30-,31-,32-,33+,34?,39+,40?/m0/s1", + "name": "Celosianin II", + "names": [ + "Celosianin II" + ] + }, + { + "compound_id": "C08543", + "inchi": "InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1", + "name": "Dopaxanthin", + "names": [ + "Dopaxanthin" + ] + }, + { + "compound_id": "C08544", + "inchi": "InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1", + "name": "Gomphrenin-I", + "names": [ + "Gomphrenin-I" + ] + }, + { + "compound_id": "C08545", + "inchi": "InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1", + "name": "Squamocin", + "names": [ + "Squamocin" + ] + }, + { + "compound_id": "C08546", + "inchi": "InChI=1S/C10H16O2/c1-5-8(3)7-12-10(11)9(4)6-2/h5-6H,7H2,1-4H3/b8-5+,9-6+", + "name": "Tiglyl tiglate", + "names": [ + "(E)-2-Methylcrotonic acid (E)-2-methyl-2-butenyl ester", + "Tiglyl tiglate" + ] + }, + { + "compound_id": "C08547", + "inchi": "InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-13-20-17(12-23(25)38)11-21(33(47)48)36(20)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1", + "name": "Gomphrenin-V", + "names": [ + "Gomphrenin-V" + ] + }, + { + "compound_id": "C08548", + "inchi": "InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3-,15-4-/t9-,11+/m0/s1", + "name": "Humilixanthin", + "names": [ + "Humilixanthin" + ] + }, + { + "compound_id": "C08549", + "inchi": "InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)/t10-,11-/m0/s1", + "name": "Indicaxanthin", + "names": [ + "Indicaxanthin" + ] + }, + { + "compound_id": "C08550", + "inchi": "InChI=1S/C36H42N2O23/c1-36(56,9-21(40)41)10-22(42)57-11-20-23(43)25(45)29(61-34-27(47)24(44)26(46)28(60-34)33(54)55)35(59-20)58-19-7-13-6-17(32(52)53)38(16(13)8-18(19)39)3-2-12-4-14(30(48)49)37-15(5-12)31(50)51/h2-4,7-8,15,17,20,23-29,34-35,43-47,56H,5-6,9-11H2,1H3,(H6,39,40,41,48,49,50,51,52,53,54,55)/t15-,17-,20+,23+,24-,25-,26-,27+,28-,29?,34?,35+,36+/m0/s1", + "name": "Iresinin I", + "names": [ + "Iresinin I" + ] + }, + { + "compound_id": "C08551", + "inchi": "InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1", + "name": "Isobetanin", + "names": [ + "Isobetanin" + ] + }, + { + "compound_id": "C08552", + "inchi": "InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1", + "name": "Lampranthin II", + "names": [ + "Lampranthin II" + ] + }, + { + "compound_id": "C08553", + "inchi": "InChI=1S/C33H60O8/c1-3-4-8-15-28(36)23-29(37)18-11-6-12-19-32(40)25-33(41)21-14-7-13-20-31(39)24-30(38)17-10-5-9-16-27(35)22-26(2)34/h27-28,31-32,35-36,39-40H,3-25H2,1-2H3/t27-,28-,31-,32-/m1/s1", + "name": "PM-Toxin A", + "names": [ + "(4R,12R,20R,28R)-4,12,20,28-Tetrahydroxy-2,10,18,26-tritriacontanetetrone", + "PM-Toxin A" + ] + }, + { + "compound_id": "C08554", + "inchi": "InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4-", + "name": "Miraxanthin-I", + "names": [ + "Miraxanthin-I" + ] + }, + { + "compound_id": "C08555", + "inchi": "InChI=1S/C13H14N2O8/c16-10(17)5-7(11(18)19)14-2-1-6-3-8(12(20)21)15-9(4-6)13(22)23/h1-3,7,9,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,14-2-", + "name": "Miraxanthin-II", + "names": [ + "Miraxanthin-II" + ] + }, + { + "compound_id": "C08556", + "inchi": "InChI=1S/C17H18N2O5/c20-13-3-1-11(2-4-13)5-7-18-8-6-12-9-14(16(21)22)19-15(10-12)17(23)24/h1-4,6,8-9,15,19-20H,5,7,10H2,(H,21,22)(H,23,24)/b12-6-,18-8-", + "name": "Miraxanthin-III", + "names": [ + "Miraxanthin-III" + ] + }, + { + "compound_id": "C08557", + "inchi": "InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6-", + "name": "Miraxanthin-V", + "names": [ + "Miraxanthin-V" + ] + }, + { + "compound_id": "C08558", + "inchi": "InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13-,15-,16+,17-,18-/m1/s1", + "name": "Tuberonic acid glucoside", + "names": [ + "Tuberonic acid glucoside" + ] + }, + { + "compound_id": "C08559", + "inchi": "InChI=1S/C14H13N3O8/c18-10-5-9(25-17-10)11(14(23)24)15-2-1-6-3-7(12(19)20)16-8(4-6)13(21)22/h1-3,5,8,11,16H,4H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b6-1-,15-2-/t8-,11-/m0/s1", + "name": "Musca-aurin-I", + "names": [ + "Musca-aurin-I", + "Muscaaurin I" + ] + }, + { + "compound_id": "C08560", + "inchi": "InChI=1S/C18H16N2O10/c21-14-7-9(6-13(30-14)18(28)29)5-10(15(22)23)19-2-1-8-3-11(16(24)25)20-12(4-8)17(26)27/h1-3,6-7,10,12,20H,4-5H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/b8-1-,19-2-/t10-,12-/m0/s1", + "name": "Musca-aurin-II", + "names": [ + "Musca-aurin-II", + "Muscaaurin II" + ] + }, + { + "compound_id": "C08561", + "inchi": "InChI=1S/C11H18O8/c1-5(2-3-12)10(17)19-11-9(16)8(15)7(14)6(4-13)18-11/h6-9,11-16H,1-4H2/t6-,7-,8+,9-,11+/m1/s1", + "name": "Tuliposide A", + "names": [ + "Tuliposide A" + ] + }, + { + "compound_id": "C08562", + "inchi": "InChI=1S/C15H16N4O6/c16-10(13(20)21)5-9-6-19(7-17-9)2-1-8-3-11(14(22)23)18-12(4-8)15(24)25/h1-3,6-7,10,12H,4-5,16H2,(H3,20,21,22,23,24,25)/t10-,12-/m0/s1", + "name": "Musca-aurin-VII", + "names": [ + "Musca-aurin-VII", + "Muscaaurin VII" + ] + }, + { + "compound_id": "C08563", + "inchi": "InChI=1S/C18H14N2O10/c21-14(22)9-3-7(4-10(19-9)15(23)24)1-2-20-11(16(25)26)5-8-6-12(17(27)28)30-18(29)13(8)20/h1-3,6,10-11H,4-5H2,(H4,21,22,23,24,25,26,27,28)/t10-,11-/m0/s1", + "name": "Muscapurpurin", + "names": [ + "Muscapurpurin" + ] + }, + { + "compound_id": "C08564", + "inchi": "InChI=1S/C14H16N2O7/c17-8-5-11(14(22)23)16(6-8)2-1-7-3-9(12(18)19)15-10(4-7)13(20)21/h1-3,8,10-11,17H,4-6H2,(H3,18,19,20,21,22,23)/t8-,10+,11+/m1/s1", + "name": "Portulacaxanthin I", + "names": [ + "Portulacaxanthin I" + ] + }, + { + "compound_id": "C08565", + "inchi": "InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6-/t13-,15-/m0/s1", + "name": "Portulacaxanthin II", + "names": [ + "Portulacaxanthin II" + ] + }, + { + "compound_id": "C08566", + "inchi": "InChI=1S/C11H12N2O6/c14-9(15)5-12-2-1-6-3-7(10(16)17)13-8(4-6)11(18)19/h1-3,8,13H,4-5H2,(H,14,15)(H,16,17)(H,18,19)/b6-1-,12-2-/t8-/m0/s1", + "name": "Portulacaxanthin III", + "names": [ + "Portulacaxanthin III" + ] + }, + { + "compound_id": "C08567", + "inchi": "InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17-,18-,19+,20-,24-/m1/s1", + "name": "Prebetanin", + "names": [ + "Prebetanin" + ] + }, + { + "compound_id": "C08568", + "inchi": "InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4-/t8-,10-/m0/s1", + "name": "Vulgaxanthin-I", + "names": [ + "Vulgaxanthin-I" + ] + }, + { + "compound_id": "C08569", + "inchi": "InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,15-4-/t8-,10-/m0/s1", + "name": "Vulgaxanthin-II", + "names": [ + "Vulgaxanthin-II" + ] + }, + { + "compound_id": "C08570", + "inchi": "InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5?,6-,7-,8+,9-,11+/m1/s1", + "name": "Tuliposide B", + "names": [ + "Tuliposide B" + ] + }, + { + "compound_id": "C08571", + "inchi": "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3/t10-/m0/s1", + "name": "gamma-Undecalactone", + "names": [ + "2(3H)-Furanone, 5-heptyldihydro-", + "gamma-Undecalactone" + ] + }, + { + "compound_id": "C08572", + "inchi": "InChI=1S/C39H68O7/c1-4-5-6-7-8-15-18-21-24-35(44-31(3)40)36-27-28-38(46-36)37-26-25-34(45-37)33(41)23-20-17-14-12-10-9-11-13-16-19-22-32-29-30(2)43-39(32)42/h29-30,33-38,41H,4-28H2,1-3H3/t30-,33+,34+,35-,36+,37+,38+/m0/s1", + "name": "Uvaricin", + "names": [ + "Uvaricin" + ] + }, + { + "compound_id": "C08573", + "inchi": "InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+", + "name": "Abyssinone VI", + "names": [ + "Abyssinone VI" + ] + }, + { + "compound_id": "C08574", + "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8H,(H2-,16,17,18)/p+1", + "name": "Apigeninidin", + "names": [ + "Apigeninidin" + ] + }, + { + "compound_id": "C08575", + "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-11(18)5-9-12(21-15)6-10(17)14(20)13(9)19/h1-6H,(H4-,16,17,18,19,20)/p+1", + "name": "Aurantinidin", + "names": [ + "Aurantinidin" + ] + }, + { + "compound_id": "C08576", + "inchi": "InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-", + "name": "Aureusidin", + "names": [ + "Aureusidin" + ] + }, + { + "compound_id": "C08577", + "inchi": "InChI=1S/C15H10O7/c16-7-4-8(17)13-11(5-7)22-12(15(13)21)3-6-1-9(18)14(20)10(19)2-6/h1-5,16-20H/b12-3-", + "name": "Bracteatin", + "names": [ + "Bracteatin" + ] + }, + { + "compound_id": "C08578", + "inchi": "InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+", + "name": "Butein", + "names": [ + "Butein" + ] + }, + { + "compound_id": "C08579", + "inchi": "InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1", + "name": "Antheraxanthin", + "names": [ + "Antheraxanthin" + ] + }, + { + "compound_id": "C08580", + "inchi": "InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1", + "name": "Astaxanthin", + "names": [ + "Astaxanthin" + ] + }, + { + "compound_id": "C08581", + "inchi": "InChI=1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1", + "name": "Azafrin", + "names": [ + "Azafrin" + ] + }, + { + "compound_id": "C08582", + "inchi": "InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-", + "name": "Bixin", + "names": [ + "Bixin", + "Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate" + ] + }, + { + "compound_id": "C08583", + "inchi": "InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+", + "name": "Canthaxanthin", + "names": [ + "Canthaxanthin" + ] + }, + { + "compound_id": "C08584", + "inchi": "InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1", + "name": "Capsanthin", + "names": [ + "Capsanthin" + ] + }, + { + "compound_id": "C08585", + "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1", + "name": "Capsorubin", + "names": [ + "Capsorubin" + ] + }, + { + "compound_id": "C08586", + "inchi": "InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1", + "name": "delta-Carotene", + "names": [ + "delta-Carotene" + ] + }, + { + "compound_id": "C08587", + "inchi": "InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-22,24-26,30H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+", + "name": "beta-Carotene 5,6-epoxide", + "names": [ + "5,6-Epoxy-beta,beta-carotene", + "beta-Carotene 5,6-epoxide" + ] + }, + { + "compound_id": "C08588", + "inchi": "InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+", + "name": "Crocetin", + "names": [ + "8,8'-diapocarotene-8,8'-dioic acid", + "Crocetin" + ] + }, + { + "compound_id": "C08589", + "inchi": "InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1", + "name": "Crocin", + "names": [ + "Crocin" + ] + }, + { + "compound_id": "C08590", + "inchi": "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1", + "name": "Zeinoxanthin", + "names": [ + "(3R,6'R)-beta,epsilon-Caroten-3-ol", + "3-Hydroxy-alpha-carotene", + "Zeinoxanthin" + ] + }, + { + "compound_id": "C08591", + "inchi": "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1", + "name": "beta-Cryptoxanthin", + "names": [ + "beta-Cryptoxanthin" + ] + }, + { + "compound_id": "C08592", + "inchi": "InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+", + "name": "Echinenone", + "names": [ + "Echinenone" + ] + }, + { + "compound_id": "C08593", + "inchi": "InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-36,41-42H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-/t35-,36-/m1/s1", + "name": "Eschscholtzxanthin", + "names": [ + "Eschscholtzxanthin" + ] + }, + { + "compound_id": "C08594", + "inchi": "InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/m0/s1", + "name": "Flavoxanthin", + "names": [ + "Flavoxanthin" + ] + }, + { + "compound_id": "C08595", + "inchi": "InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1", + "name": "Capensinidin", + "names": [ + "Capensinidin" + ] + }, + { + "compound_id": "C08596", + "inchi": "InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41+,42-/m0/s1", + "name": "Fucoxanthin", + "names": [ + "Fucoxanthin" + ] + }, + { + "compound_id": "C08597", + "inchi": "InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-55,65-67H,13-38,49-50,56-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66+,67-/m0/s1", + "name": "Helenien", + "names": [ + "Helenien", + "Xantofyl palmitate" + ] + }, + { + "compound_id": "C08598", + "inchi": "InChI=1S/C21H20O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,26,28-30H,8H2/b6-3+/t14-,17-,18+,19-,21+/m1/s1", + "name": "Carthamone", + "names": [ + "Carthamone" + ] + }, + { + "compound_id": "C08599", + "inchi": "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1", + "name": "Lactucaxanthin", + "names": [ + "Lactucaxanthin" + ] + }, + { + "compound_id": "C08600", + "inchi": "InChI=1S/C25H22O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-9,19,23,25-29H,10-11H2,1H3/t19-,23+,25+/m0/s1", + "name": "Silandrin", + "names": [ + "Silandrin" + ] + }, + { + "compound_id": "C08601", + "inchi": "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1", + "name": "Lutein", + "names": [ + "Lutein", + "Xanthophyll" + ] + }, + { + "compound_id": "C08602", + "inchi": "InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1", + "name": "Lutein 5,6-epoxide", + "names": [ + "Lutein 5,6-epoxide" + ] + }, + { + "compound_id": "C08603", + "inchi": "InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+", + "name": "Lycoxanthin", + "names": [ + "Lycoxanthin" + ] + }, + { + "compound_id": "C08604", + "inchi": "InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1", + "name": "Chrysanthemin", + "names": [ + "Chrysanthemin", + "Cyanidin 3-O-beta-D-glucoside", + "Cyanidin 3-O-glucoside" + ] + }, + { + "compound_id": "C08605", + "inchi": "InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+", + "name": "Citroxanthin", + "names": [ + "Citroxanthin", + "Mutatochrome" + ] + }, + { + "compound_id": "C08606", + "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1", + "name": "Neoxanthin", + "names": [ + "Neoxanthin", + "all-trans-Neoxanthin" + ] + }, + { + "compound_id": "C08607", + "inchi": "InChI=1S/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22+", + "name": "Neurosporaxanthin", + "names": [ + "Neurosporaxanthin", + "all-trans-Neurosporaxanthin" + ] + }, + { + "compound_id": "C08608", + "inchi": "InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+", + "name": "Norbixin", + "names": [ + "Norbixin" + ] + }, + { + "compound_id": "C08609", + "inchi": "InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1", + "name": "Physalien", + "names": [ + "Physalien", + "Zeaxanthin dipalmitate" + ] + }, + { + "compound_id": "C08610", + "inchi": "InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-", + "name": "Rhodoxanthin", + "names": [ + "Rhodoxanthin" + ] + }, + { + "compound_id": "C08611", + "inchi": "InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1", + "name": "Rubixanthin", + "names": [ + "Rubixanthin" + ] + }, + { + "compound_id": "C08612", + "inchi": "InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29?,30-,31?,32-/m1/s1", + "name": "Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)", + "names": [ + "Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)" + ] + }, + { + "compound_id": "C08613", + "inchi": "InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", + "name": "Torulene", + "names": [ + "Torulene" + ] + }, + { + "compound_id": "C08614", + "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1", + "name": "Violaxanthin", + "names": [ + "Violaxanthin", + "all-trans-Violaxanthin" + ] + }, + { + "compound_id": "C08615", + "inchi": "InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1", + "name": "alpha-Amyrin", + "names": [ + "alpha-Amyrin" + ] + }, + { + "compound_id": "C08616", + "inchi": "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1", + "name": "beta-Amyrin", + "names": [ + "beta-Amyrenol", + "beta-Amyrin" + ] + }, + { + "compound_id": "C08617", + "inchi": "InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1", + "name": "Asiatic acid", + "names": [ + "Asiatic acid" + ] + }, + { + "compound_id": "C08618", + "inchi": "InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1", + "name": "Betulin", + "names": [ + "Betulin" + ] + }, + { + "compound_id": "C08619", + "inchi": "InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1", + "name": "Betulinic acid", + "names": [ + "Betulinic acid" + ] + }, + { + "compound_id": "C08620", + "inchi": "InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1", + "name": "Cyanidin 3-O-rutinoside", + "names": [ + "Cyanidin 3-O-rhamnosylglucoside", + "Cyanidin 3-O-rutinoside" + ] + }, + { + "compound_id": "C08621", + "inchi": "InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-/m1/s1", + "name": "Dammarenediol-I", + "names": [ + "Dammarenediol-I" + ] + }, + { + "compound_id": "C08622", + "inchi": "InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,27+,28-,29-,30+/m1/s1", + "name": "Dipterocarpol", + "names": [ + "Dipterocarpol" + ] + }, + { + "compound_id": "C08623", + "inchi": "InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1", + "name": "alpha-Elemolic acid", + "names": [ + "alpha-Elemolic acid" + ] + }, + { + "compound_id": "C08624", + "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1", + "name": "Euphol", + "names": [ + "Euphol" + ] + }, + { + "compound_id": "C08625", + "inchi": "InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1", + "name": "Fernene", + "names": [ + "Fernene" + ] + }, + { + "compound_id": "C08626", + "inchi": "InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1", + "name": "Friedelin", + "names": [ + "Friedelin" + ] + }, + { + "compound_id": "C08627", + "inchi": "InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21-,23-,24?,25+,26-,27-,29+,30+,31-,32-/m1/s1", + "name": "Hopane-29-acetate", + "names": [ + "Hopane-29-acetate" + ] + }, + { + "compound_id": "C08628", + "inchi": "InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1", + "name": "Lupeol", + "names": [ + "Lupeol" + ] + }, + { + "compound_id": "C08629", + "inchi": "InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)49-15-5-11(37)4-14-12(15)6-17(51-33-29(47)26(44)23(41)20(9-36)54-33)30(48-14)10-1-2-13(38)16(3-10)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-36,39-47H,7-9H2,(H-,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1", + "name": "Cyanidin 3,5,3'-tri-O-glucoside", + "names": [ + "Cyanidin 3,5,3'-tri-O-glucoside" + ] + }, + { + "compound_id": "C08630", + "inchi": "InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1", + "name": "Lupeol acetate", + "names": [ + "3-Acetyllupeol", + "Lupeol acetate" + ] + }, + { + "compound_id": "C08631", + "inchi": "InChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,26-,27+,28+,29+/m0/s1", + "name": "Messagenin", + "names": [ + "Messagenin" + ] + }, + { + "compound_id": "C08632", + "inchi": "InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1", + "name": "Papyriferic acid", + "names": [ + "Papyriferic acid" + ] + }, + { + "compound_id": "C08633", + "inchi": "InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1", + "name": "Pristimerin", + "names": [ + "Pristimerin" + ] + }, + { + "compound_id": "C08634", + "inchi": "InChI=1S/C30H50O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-25,31-33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,24-,25-,28-,29+,30-/m1/s1", + "name": "Sapelin A", + "names": [ + "Sapelin A" + ] + }, + { + "compound_id": "C08635", + "inchi": "InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17-,18+,20+,21+,22-,23-,24+,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1", + "name": "Taccalonolide A", + "names": [ + "Taccalonolide A" + ] + }, + { + "compound_id": "C08636", + "inchi": "InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1", + "name": "Taraxasterol", + "names": [ + "Taraxasterol" + ] + }, + { + "compound_id": "C08637", + "inchi": "InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1", + "name": "Taraxerol", + "names": [ + "Taraxerol" + ] + }, + { + "compound_id": "C08638", + "inchi": "InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27+,28-/m1/s1", + "name": "Tingenone", + "names": [ + "Tingenone" + ] + }, + { + "compound_id": "C08639", + "inchi": "InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1", + "name": "Cyanin", + "names": [ + "Cyanidin 3,5-O-diglucoside", + "Cyanidin 3,5-di-O-glucoside", + "Cyanin" + ] + }, + { + "compound_id": "C08640", + "inchi": "InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-1-9(2-15(20(14)39)51-32-28(47)25(44)22(41)18(7-35)54-32)30-16(5-11-12(38)3-10(37)4-13(11)49-30)52-33-29(48)26(45)23(42)19(8-36)55-33/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1", + "name": "Delphinidin 3,3',5'-tri-O-glucoside", + "names": [ + "Delphinidin 3,3',5'-tri-O-glucoside" + ] + }, + { + "compound_id": "C08641", + "inchi": "InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1", + "name": "Gentiodelphin", + "names": [ + "Gentiodelphin" + ] + }, + { + "compound_id": "C08642", + "inchi": "InChI=1S/C79H90O45/c1-108-42-19-32(8-11-35(42)86)70-45(22-34-40(110-70)20-33(85)21-41(34)112-74-67(105)61(99)55(93)46(23-80)116-74)115-78-73(124-79-72(65(103)59(97)50(27-84)120-79)123-54(92)15-7-31-3-10-37(88)44(18-31)114-76-69(107)63(101)57(95)48(25-82)118-76)66(104)60(98)51(121-78)28-109-52(90)13-5-29-4-12-39(38(89)16-29)111-77-71(64(102)58(96)49(26-83)119-77)122-53(91)14-6-30-2-9-36(87)43(17-30)113-75-68(106)62(100)56(94)47(24-81)117-75/h2-22,46-51,55-69,71-84,93-107H,23-28H2,1H3,(H4-,85,86,87,88,89,91,92)/p+1/b13-5+/t46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67-,68-,69-,71-,72-,73?,74-,75-,76-,77-,78-,79?/m1/s1", + "name": "Heavenly blue anthocyanin", + "names": [ + "Heavenly blue anthocyanin" + ] + }, + { + "compound_id": "C08643", + "inchi": "InChI=1S/C18H16O7/c1-22-10-6-12(19)11-8-13(20)18(25-14(11)7-10)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1", + "name": "Hirsutidin", + "names": [ + "Hirsutidin" + ] + }, + { + "compound_id": "C08644", + "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7-", + "name": "Hispidol", + "names": [ + "Hispidol" + ] + }, + { + "compound_id": "C08646", + "inchi": "InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20/h1-5H,(H5-,16,17,18,19,20,21)/p+1", + "name": "6-Hydroxycyanidin", + "names": [ + "6-Hydroxycyanidin" + ] + }, + { + "compound_id": "C08647", + "inchi": "InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1", + "name": "Cyanidin 3-O-galactoside", + "names": [ + "Cyanidin 3-O-galactoside" + ] + }, + { + "compound_id": "C08648", + "inchi": "InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+", + "name": "Isobavachalcone", + "names": [ + "Isobavachalcone" + ] + }, + { + "compound_id": "C08649", + "inchi": "InChI=1S/C27H32O15/c28-9-18-20(33)22(35)24(37)26(41-18)39-12-3-4-13(16(32)8-12)14(30)5-1-11-2-6-15(31)17(7-11)40-27-25(38)23(36)21(34)19(10-29)42-27/h1-8,18-29,31-38H,9-10H2/b5-1+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1", + "name": "Isobutrin", + "names": [ + "Isobutrin" + ] + }, + { + "compound_id": "C08650", + "inchi": "InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+", + "name": "Isoliquiritigenin", + "names": [ + "Isoliquiritigenin" + ] + }, + { + "compound_id": "C08651", + "inchi": "InChI=1S/C16H12O6/c1-21-16-11(18)5-3-9-14(20)13(22-15(9)16)7-8-2-4-10(17)12(19)6-8/h2-7,17-19H,1H3/b13-7-", + "name": "Leptosidin", + "names": [ + "Leptosidin" + ] + }, + { + "compound_id": "C08652", + "inchi": "InChI=1S/C15H10O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1-7H,(H3-,16,17,18,19)/p+1", + "name": "Luteolinidin", + "names": [ + "Luteolinidin" + ] + }, + { + "compound_id": "C08653", + "inchi": "InChI=1S/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/t25-,26-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1", + "name": "Malonylawobanin", + "names": [ + "Malonylawobanin" + ] + }, + { + "compound_id": "C08654", + "inchi": "InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18?,19-,20+,21-,22+,23+,24+,25-,26+,27?/m1/s1", + "name": "Acetylbrowniine", + "names": [ + "Acetylbrowniine", + "Browniine 14-acetate" + ] + }, + { + "compound_id": "C08655", + "inchi": "InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20?,21?,22?,23-,24+,25-,26+,27-,28+,30+,31?,32+,33-,34+/m1/s1", + "name": "Aconifine", + "names": [ + "Aconifine", + "Aconitane-3,8,10,13,14,15-hexol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-" + ] + }, + { + "compound_id": "C08656", + "inchi": "InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19+,20-,21-,22+/m0/s1", + "name": "Ajaconine", + "names": [ + "Ajaconine" + ] + }, + { + "compound_id": "C08657", + "inchi": "InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17-,19+,20+,22-,23?,25+,26-,27+,28-,31-,32-,33+,34-,35?/m0/s1", + "name": "Anhwiedelphinine", + "names": [ + "Anhwiedelphinine" + ] + }, + { + "compound_id": "C08658", + "inchi": "InChI=1S/C31H43NO7/c1-8-15(3)26(35)38-22-20-17(5)10-29-13-19(34)31(37)28(6)11-18(33)12-30(31,25(21(20)29)32(7)14-28)24(29)23(22)39-27(36)16(4)9-2/h8-9,18-25,33-34,37H,5,10-14H2,1-4,6-7H3/b15-8+,16-9+/t18-,19-,20?,21+,22?,23+,24?,25+,28-,29-,30-,31-/m0/s1", + "name": "Anopterine", + "names": [ + "Anopterine" + ] + }, + { + "compound_id": "C08659", + "inchi": "InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22?,23-,24+,25-,26+,28+,29+,30-,31+,32?/m1/s1", + "name": "Inuline", + "names": [ + "Anthranoyllycoctonine", + "Inuline" + ] + }, + { + "compound_id": "C08660", + "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16+,17?,18+,19-,20-,21-,22-/m0/s1", + "name": "Atisine", + "names": [ + "Atisine" + ] + }, + { + "compound_id": "C08661", + "inchi": "InChI=1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)/t20-,21-,23+,24?,27-,28+,29-,30?,32+,33+,34-,35+,36?/m1/s1", + "name": "Avadharidine", + "names": [ + "Aconitane-7,8-diol, 4-(((2-((4-amino-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16beta)-", + "Avadharidine" + ] + }, + { + "compound_id": "C08662", + "inchi": "InChI=1S/C36H46N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26,28-29,32,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24?,26+,28+,29-,32-,33-,34+,35-,36?/m0/s1", + "name": "Barbinine", + "names": [ + "Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)-", + "Barbinine" + ] + }, + { + "compound_id": "C08663", + "inchi": "InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19?,20?,21?,22-,23+,24-,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1", + "name": "Beiwutine", + "names": [ + "Beiwutine" + ] + }, + { + "compound_id": "C08664", + "inchi": "InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24?,25+,26-,27?,28?,29-,30-,31-,33+,34+,35-,36+/m1/s1", + "name": "Bikhaconitine", + "names": [ + "Bikhaconitine" + ] + }, + { + "compound_id": "C08665", + "inchi": "InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16?,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1", + "name": "Browniine", + "names": [ + "Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-", + "Browniine" + ] + }, + { + "compound_id": "C08666", + "inchi": "InChI=1S/C23H37NO5/c1-4-24-10-21(11-25)6-5-17(29-3)23-13-7-12-15(28-2)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14?,15+,16-,17?,18-,19+,20-,21+,22+,23-/m1/s1", + "name": "Cammaconine", + "names": [ + "Cammaconine", + "Columbiananine" + ] + }, + { + "compound_id": "C08667", + "inchi": "InChI=1S/C21H33NO4/c1-3-22-10-18(2)6-5-14(23)21-12-8-11-4-7-19(25,15(12)16(11)24)20(26,17(21)22)9-13(18)21/h11-17,23-26H,3-10H2,1-2H3/t11-,12+,13+,14?,15+,16-,17+,18-,19+,20?,21+/m0/s1", + "name": "Cardiopetalidine", + "names": [ + "Cardiopetalidine" + ] + }, + { + "compound_id": "C08668", + "inchi": "InChI=1S/C37H52N2O11/c1-7-39-18-34(19-50-32(42)20-10-8-9-11-23(20)38-26(40)12-13-27(41)47-4)15-14-25(46-3)36-22-16-21-24(45-2)17-35(43,28(22)29(21)48-5)37(44,33(36)39)31(49-6)30(34)36/h8-11,21-22,24-25,28-31,33,43-44H,7,12-19H2,1-6H3,(H,38,40)/t21-,22-,24+,25?,28-,29+,30-,31+,33+,34+,35-,36+,37?/m1/s1", + "name": "Septentriodine", + "names": [ + "Cashmiradelphine", + "Septentriodine" + ] + }, + { + "compound_id": "C08669", + "inchi": "InChI=1S/C24H41NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17-20,22,26-27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,18-,19-,20-,22-,24+/m0/s1", + "name": "Cassaidine", + "names": [ + "Cassaidine" + ] + }, + { + "compound_id": "C08670", + "inchi": "InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1", + "name": "Cassaine", + "names": [ + "Cassaine" + ] + }, + { + "compound_id": "C08671", + "inchi": "InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16?,17+,18-,19?,20-,21+,22-,23+,24?,25-/m1/s1", + "name": "Condelphine", + "names": [ + "Condelphine" + ] + }, + { + "compound_id": "C08672", + "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h14-17,19H,3-13H2,1-2H3/t14-,15?,16-,17-,19?,20+,21-,22+/m1/s1", + "name": "Cuauchichicine", + "names": [ + "Cuauchichicine", + "Veatchine,15-deoxy-16,17-dihydro-15-oxo-, (16-beta,20S)-" + ] + }, + { + "compound_id": "C08673", + "inchi": "InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24?,26+,27-,28+,29-,32-,33-,34+,35-,36?/m0/s1", + "name": "14-Deacetylnudicauline", + "names": [ + "14-Deacetylnudicauline" + ] + }, + { + "compound_id": "C08674", + "inchi": "InChI=1S/C38H54N2O11/c1-8-40-18-35(19-51-33(43)21-11-9-10-12-24(21)39-32(42)20(2)15-27(41)48-5)14-13-26(47-4)37-23-16-22-25(46-3)17-36(44,28(23)29(22)49-6)38(45,34(37)40)31(50-7)30(35)37/h9-12,20,22-23,25-26,28-31,34,44-45H,8,13-19H2,1-7H3,(H,39,42)/t20?,22-,23-,25+,26?,28-,29+,30-,31+,34+,35+,36-,37+,38?/m1/s1", + "name": "Delavaine A", + "names": [ + "Delavaine A" + ] + }, + { + "compound_id": "C08675", + "inchi": "InChI=1S/C26H41NO7/c1-6-27-11-23(12-29-2)8-7-17(31-4)25-15-9-14-16(30-3)10-24(18(15)19(14)32-5)26(22(25)27,34-13-33-24)21(28)20(23)25/h14-22,28H,6-13H2,1-5H3/t14-,15-,16+,17?,18-,19+,20-,21+,22+,23+,24-,25+,26?/m1/s1", + "name": "Delcorine", + "names": [ + "Delcorine" + ] + }, + { + "compound_id": "C08676", + "inchi": "InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15?,16-,17+,18-,19+,20+,21+,22-,23+,24?/m1/s1", + "name": "Delcosine", + "names": [ + "Delcosine" + ] + }, + { + "compound_id": "C08677", + "inchi": "InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21?,22+,23-,24?,25?,26-,27-,28-,30+,31+,32-,33+/m1/s1", + "name": "Delphinine", + "names": [ + "Delphinine" + ] + }, + { + "compound_id": "C08678", + "inchi": "InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16?,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1", + "name": "Delsoline", + "names": [ + "Delsoline" + ] + }, + { + "compound_id": "C08679", + "inchi": "InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17?,18+,19+,20-,21+,22+,23+,24+,25-,26-,27?/m1/s1", + "name": "Deltaline", + "names": [ + "Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-", + "Deltaline" + ] + }, + { + "compound_id": "C08680", + "inchi": "InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14+,15-,16+,17-,18-,19-,20+,21+,22?/m1/s1", + "name": "Denudatine", + "names": [ + "Denudatine" + ] + }, + { + "compound_id": "C08681", + "inchi": "InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3/t20?,22-,23-,25+,26?,28-,29+,30-,31+,34+,35+,36-,37+,38?/m1/s1", + "name": "Elatine", + "names": [ + "Aconitane-4-methanol, 20-ethyl-7,8-(methylenebis(oxy))-, 1,6,14,16-tetramethoxy-2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate(ester), (1-alpha,6-beta,14-alpha,16-beta)-", + "Elatine" + ] + }, + { + "compound_id": "C08682", + "inchi": "InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1", + "name": "Erythrophleguine", + "names": [ + "Erythrophleguine" + ] + }, + { + "compound_id": "C08683", + "inchi": "InChI=1S/C34H47NO10/c1-8-35-15-32(16-39-2)22(36)13-24(43-6)34-19-14-33(38)23(42-5)12-18(26(29(34)35)27(44-7)28(32)34)25(19)30(33)45-31(37)17-9-10-20(40-3)21(11-17)41-4/h9-12,19,22-30,36,38H,8,13-16H2,1-7H3/t19-,22-,23+,24?,25-,26?,27?,28-,29-,30-,32+,33+,34+/m1/s1", + "name": "Falaconitine", + "names": [ + "Falaconitine" + ] + }, + { + "compound_id": "C08684", + "inchi": "InChI=1S/C33H46N2O10/c1-6-35-16-28(17-45-26(37)19-9-7-8-10-21(19)34-18(2)36)12-11-24(43-4)32-23(28)15-29(38,27(32)35)30(39)14-22(42-3)20-13-31(32,40)33(30,41)25(20)44-5/h7-10,20,22-25,27,38-41H,6,11-17H2,1-5H3,(H,34,36)/t20-,22+,23-,24?,25+,27-,28+,29?,30+,31-,32+,33+/m1/s1", + "name": "Finaconitine", + "names": [ + "Finaconitine" + ] + }, + { + "compound_id": "C08685", + "inchi": "InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15?,16-,17-,18+,19?,20-,21-,22+/m1/s1", + "name": "Garryine", + "names": [ + "Garryine" + ] + }, + { + "compound_id": "C08686", + "inchi": "InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13?,14+,15?,16+,17+,18?,20-,21+,22-/m0/s1", + "name": "Heteratisine", + "names": [ + "Heteratisine" + ] + }, + { + "compound_id": "C08687", + "inchi": "InChI=1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10?,11-,12+,13-,14+,15+,16?,17+,18-,19-,20-/m0/s1", + "name": "Hetisine", + "names": [ + "Hetisan-2,11,13-triol", + "Hetisine" + ] + }, + { + "compound_id": "C08688", + "inchi": "InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20?,21-,22?,23?,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1", + "name": "Hypaconitine", + "names": [ + "Hypaconitine" + ] + }, + { + "compound_id": "C08689", + "inchi": "InChI=1S/C22H33NO4/c1-20-9-7-16(24)22(3)17(20)14(27-19(22)25)10-12-13(20)6-8-21(2)15(23(4)5)11-26-18(12)21/h10,13-18,24H,6-9,11H2,1-5H3/t13?,14-,15?,16+,17-,18?,20-,21?,22+/m1/s1", + "name": "Icaceine", + "names": [ + "Icaceine" + ] + }, + { + "compound_id": "C08690", + "inchi": "InChI=1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,18?,19-,20-,21-,22+/m0/s1", + "name": "Icacine", + "names": [ + "Icacine" + ] + }, + { + "compound_id": "C08691", + "inchi": "InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22?,23+,24-,25?,26?,27-,28-,29-,31+,32+,33-,34+/m1/s1", + "name": "Indaconitine", + "names": [ + "Indaconitine" + ] + }, + { + "compound_id": "C08692", + "inchi": "InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22?,23-,24?,25?,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1", + "name": "Jesaconitine", + "names": [ + "Jesaconitine" + ] + }, + { + "compound_id": "C08693", + "inchi": "InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16?,17-,18+,19-,20+,21?,22-/m1/s1", + "name": "Karakoline", + "names": [ + "Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-", + "Karakoline" + ] + }, + { + "compound_id": "C08694", + "inchi": "InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20?,22+,23-,24+,25?,26-,27+,29-,30+,31+,32+/m1/s1", + "name": "Lappaconitine", + "names": [ + "Lappaconitine" + ] + }, + { + "compound_id": "C08695", + "inchi": "InChI=1S/C22H31NO2/c1-14-16-5-6-18-21(11-16,19(14)25-15(2)24)10-7-17-20(3)8-4-9-22(17,18)13-23-12-20/h13,16-19H,1,4-12H2,2-3H3/t16?,17-,18-,19-,20+,21-,22+/m1/s1", + "name": "Lindheimerine", + "names": [ + "Lindheimerine" + ] + }, + { + "compound_id": "C08696", + "inchi": "InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24?,27-,28+,29-,30+,32+,33+,34?,35+,36?/m1/s1", + "name": "Lycaconitine", + "names": [ + "Lycaconitine" + ] + }, + { + "compound_id": "C08697", + "inchi": "InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16?,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1", + "name": "Lycoctonine", + "names": [ + "Lycoctonine" + ] + }, + { + "compound_id": "C08698", + "inchi": "InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20?,21-,22?,23-,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1", + "name": "Mesaconitine", + "names": [ + "Mesaconitine" + ] + }, + { + "compound_id": "C08699", + "inchi": "InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22-,24+,25?,27-,28+,29-,30+,33+,34+,35?,36+,37?/m1/s1", + "name": "Methyllycaconitine", + "names": [ + "Methyllycaconitine" + ] + }, + { + "compound_id": "C08700", + "inchi": "InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12?,13?,14-,15+,16+,17?,18?,19+,20-,21?,22-/m0/s1", + "name": "Napelline", + "names": [ + "Napelline" + ] + }, + { + "compound_id": "C08701", + "inchi": "InChI=1S/C23H37NO5/c1-14-15(11-20(28)29-10-9-24-4)5-6-16-21(14)17(26)12-18-22(16,2)8-7-19(27)23(18,3)13-25/h11,13-14,16-19,21,24,26-27H,5-10,12H2,1-4H3/b15-11+/t14-,16-,17-,18+,19-,21-,22+,23+/m0/s1", + "name": "Norerythrostachaldine", + "names": [ + "Norerythrostachaldine" + ] + }, + { + "compound_id": "C08702", + "inchi": "InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26?,28+,29-,30+,31-,34-,35-,36?,37-,38?/m0/s1", + "name": "Nudicauline", + "names": [ + "Nudicauline" + ] + }, + { + "compound_id": "C08703", + "inchi": "InChI=1S/C24H35NO3/c1-15-17-5-6-19-23(13-17,20(15)28-16(2)26)10-7-18-22(3)8-4-9-24(18,19)21-25(14-22)11-12-27-21/h17-21H,1,4-14H2,2-3H3/t17?,18-,19-,20-,21?,22+,23-,24+/m1/s1", + "name": "Ovatine", + "names": [ + "Ovatine" + ] + }, + { + "compound_id": "C08704", + "inchi": "InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24?,25+,26-,27?,28?,29-,30-,31-,33+,34+,35-,36+/m1/s1", + "name": "Pseudoaconitine", + "names": [ + "Pseudoaconitine" + ] + }, + { + "compound_id": "C08705", + "inchi": "InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19?,20-,21-,22+,23+,24+,25+/m0/s1", + "name": "Ryanodine", + "names": [ + "Ryania", + "Ryanodine" + ] + }, + { + "compound_id": "C08706", + "inchi": "InChI=1S/C38H54N2O11/c1-8-40-19-35(20-51-33(43)21-11-9-10-12-24(21)39-27(41)13-14-28(42)47-4)16-15-26(46-3)37-23-17-22-25(45-2)18-36(50-7,29(23)30(22)48-5)38(44,34(37)40)32(49-6)31(35)37/h9-12,22-23,25-26,29-32,34,44H,8,13-20H2,1-7H3,(H,39,41)/t22-,23-,25+,26?,29-,30+,31-,32+,34+,35+,36-,37+,38?/m1/s1", + "name": "Septentrionine", + "names": [ + "Septentrionine" + ] + }, + { + "compound_id": "C08707", + "inchi": "InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12?,13-,15-,16-,17?,18?,19-,20+,21?,22+/m1/s1", + "name": "Songorine", + "names": [ + "Napellonine", + "Songorine", + "Zongorine" + ] + }, + { + "compound_id": "C08708", + "inchi": "InChI=1S/C20H25NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-12,14-16,23H,1,3-9H2,2H3/t11-,12-,14?,15-,16-,17+,18+,19+,20+/m1/s1", + "name": "Spiradine A", + "names": [ + "6-Hydroxyhetisan-11-one", + "Spiradine A" + ] + }, + { + "compound_id": "C08709", + "inchi": "InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,20+,21?,22+,23?,24+/m0/s1", + "name": "Spiramine A", + "names": [ + "Spiramine A" + ] + }, + { + "compound_id": "C08710", + "inchi": "InChI=1S/C22H29NO3/c1-12-9-20-11-15(24)16-19(2)4-3-5-21(16)17(23-6-7-26-18(19)23)14(20)8-13(12)10-22(20,21)25/h9,13-14,16-18,25H,3-8,10-11H2,1-2H3/t13-,14+,16+,17+,18+,19+,20-,21?,22-/m0/s1", + "name": "Spirasine I", + "names": [ + "Spirasine I" + ] + }, + { + "compound_id": "C08711", + "inchi": "InChI=1S/C22H27NO3/c1-11-9-21-10-14(24)16-20(2)4-3-5-22(16)17(21)15(25)12(11)8-13(21)18(22)23-6-7-26-19(20)23/h12-13,16-19H,1,3-10H2,2H3/t12-,13-,16-,17?,18-,19-,20-,21+,22?/m1/s1", + "name": "Spiredine", + "names": [ + "Spiredine" + ] + }, + { + "compound_id": "C08712", + "inchi": "InChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3/t24?,25-,29+,30+,31?,32+,33?,34+,35-,36-,37-,38+,39+,40-,41+,42-/m0/s1", + "name": "Staphidine", + "names": [ + "Staphidine" + ] + }, + { + "compound_id": "C08713", + "inchi": "InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15?,16+,17-,18?,19-,20+,21-,22+,23?,24-/m1/s1", + "name": "Talatizamine", + "names": [ + "Talatizamine" + ] + }, + { + "compound_id": "C08714", + "inchi": "InChI=1S/C22H27NO4/c1-11-9-21-10-14(25)16-20(2)4-3-5-22(16)17(21)15(26)12(11)8-13(21)18(22)23(6-7-24)19(20)27/h12-13,16-18,24H,1,3-10H2,2H3/t12-,13-,16-,17?,18-,20-,21+,22+/m1/s1", + "name": "Thalicsessine", + "names": [ + "21-(2-Hydroxyethyl)-6,21-secohetisan-6,11,19-trione", + "Thalicsessine" + ] + }, + { + "compound_id": "C08715", + "inchi": "InChI=1S/C27H43NO8/c1-7-28-12-24(13-36-14(2)29)9-8-18(33-4)26-16-10-15-17(32-3)11-25(30,19(16)20(15)34-5)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18?,19-,20+,21-,22+,23+,24+,25-,26+,27?/m1/s1", + "name": "Tricornine", + "names": [ + "Tricornine" + ] + }, + { + "compound_id": "C08716", + "inchi": "InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1", + "name": "Malvidin", + "names": [ + "Malvidin", + "Malvidin chloride" + ] + }, + { + "compound_id": "C08717", + "inchi": "InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1", + "name": "Silychristin", + "names": [ + "Silychristin" + ] + }, + { + "compound_id": "C08718", + "inchi": "InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1", + "name": "Malvin", + "names": [ + "Malvin" + ] + }, + { + "compound_id": "C08719", + "inchi": "InChI=1S/C30H36O4/c1-18(2)7-10-21-15-23(16-22(29(21)33)11-8-19(3)4)28-17-27(32)25-13-14-26(31)24(30(25)34-28)12-9-20(5)6/h7-9,13-16,28,31,33H,10-12,17H2,1-6H3/t28-/m0/s1", + "name": "Sophoranone", + "names": [ + "Sophoranone" + ] + }, + { + "compound_id": "C08720", + "inchi": "InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H/b12-6-", + "name": "Maritimetin", + "names": [ + "Maritimetin" + ] + }, + { + "compound_id": "C08721", + "inchi": null, + "name": "Polysialic acid acetylated at O-9", + "names": [ + "Polysialic acid acetylated at O-9" + ] + }, + { + "compound_id": "C08722", + "inchi": "InChI=1S/C16H10O5/c17-10-7-11-13(16-15(10)19-8-20-16)14(18)12(21-11)6-9-4-2-1-3-5-9/h1-7,17H,8H2/b12-6-", + "name": "4,5-Methylenedioxy-6-hydroxyaurone", + "names": [ + "4,5-Methylenedioxy-6-hydroxyaurone" + ] + }, + { + "compound_id": "C08723", + "inchi": "InChI=1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1", + "name": "Monardaein", + "names": [ + "Monardaein" + ] + }, + { + "compound_id": "C08724", + "inchi": "InChI=1S/C15H12O6/c16-10(9-3-6-12(18)15(21)14(9)20)4-1-8-2-5-11(17)13(19)7-8/h1-7,17-21H/b4-1+", + "name": "Okanin", + "names": [ + "Okanin" + ] + }, + { + "compound_id": "C08725", + "inchi": "InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1", + "name": "Pelargonin", + "names": [ + "Pelargonidin 3,5-di-beta-D-glucoside", + "Pelargonin" + ] + }, + { + "compound_id": "C08726", + "inchi": "InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H", + "name": "Peonidin", + "names": [ + "3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride", + "Peonidin" + ] + }, + { + "compound_id": "C08727", + "inchi": "InChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H", + "name": "Petunidin", + "names": [ + "Petunidin", + "Petunidin chloride" + ] + }, + { + "compound_id": "C08728", + "inchi": "InChI=1S/C15H8O6/c16-7-3-10(19)14-12(4-7)20-13-2-6-1-8(17)9(18)5-11(6)21-15(13)14/h1-5H,(H3-,16,17,18,19)/p+1", + "name": "Riccionidin A", + "names": [ + "Riccionidin A" + ] + }, + { + "compound_id": "C08729", + "inchi": "InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1", + "name": "Rosinidin", + "names": [ + "Rosinidin" + ] + }, + { + "compound_id": "C08730", + "inchi": "InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-", + "name": "Sulphuretin", + "names": [ + "Sulfuretin", + "Sulphuretin" + ] + }, + { + "compound_id": "C08731", + "inchi": "InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+", + "name": "Xenognosin A", + "names": [ + "Xenognosin A" + ] + }, + { + "compound_id": "C08732", + "inchi": "InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+", + "name": "Albafuran A", + "names": [ + "4-((2E)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol", + "Albafuran A" + ] + }, + { + "compound_id": "C08733", + "inchi": "InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)", + "name": "Ammeline", + "names": [ + "2-Hydroxy-4,6-diamino-1,3,5-triazine", + "Ammeline" + ] + }, + { + "compound_id": "C08734", + "inchi": "InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)", + "name": "Ammelide", + "names": [ + "2,4-Dihydroxy-6-amino-1,3,5-triazine", + "Ammelide" + ] + }, + { + "compound_id": "C08735", + "inchi": "InChI=1S/C3H3ClN4O/c4-1-6-2(5)8-3(9)7-1/h(H3,5,6,7,8,9)", + "name": "2-Chloro-4-hydroxy-6-amino-1,3,5-triazine", + "names": [ + "2-Chloro-4-hydroxy-6-amino-1,3,5-triazine" + ] + }, + { + "compound_id": "C08736", + "inchi": "InChI=1S/C3H2ClN3O2/c4-1-5-2(8)7-3(9)6-1/h(H2,5,6,7,8,9)", + "name": "6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione", + "names": [ + "2-Chloro-4,6-dihydroxy-1,3,5-triazine", + "6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione" + ] + }, + { + "compound_id": "C08737", + "inchi": "InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)", + "name": "Melamine", + "names": [ + "2,4,6-Triamino-1,3,5-triazine", + "Melamine" + ] + }, + { + "compound_id": "C08738", + "inchi": "InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33-,34+/m0/s1", + "name": "Albanol A", + "names": [ + "Albanol A", + "Mulberrofuran G" + ] + }, + { + "compound_id": "C08739", + "inchi": "InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3", + "name": "alpha-Cotonefuran", + "names": [ + "alpha-Cotonefuran" + ] + }, + { + "compound_id": "C08740", + "inchi": "InChI=1S/C16H16O6/c1-18-11-7-9-8-5-6-10(17)14(19-2)12(8)22-13(9)16(21-4)15(11)20-3/h5-7,17H,1-4H3", + "name": "beta-Cotonefuran", + "names": [ + "beta-Cotonefuran" + ] + }, + { + "compound_id": "C08741", + "inchi": "InChI=1S/C13H12O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-7H,1H2,2-3H3", + "name": "Dehydrotremetone", + "names": [ + "Dehydrotremetone" + ] + }, + { + "compound_id": "C08742", + "inchi": "InChI=1S/C15H14O6/c1-18-12-6-11-7(4-9(12)16)8-5-10(17)14(19-2)15(20-3)13(8)21-11/h4-6,16-17H,1-3H3", + "name": "2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran", + "names": [ + "2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran" + ] + }, + { + "compound_id": "C08743", + "inchi": "InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3", + "name": "Eriobofuran", + "names": [ + "2,4-Dimethoxydibenzofuran-3-ol", + "Eriobofuran" + ] + }, + { + "compound_id": "C08744", + "inchi": "InChI=1S/C13H14O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4,6,12,15H,1,5H2,2-3H3/t12-/m1/s1", + "name": "Dihydroeuparin", + "names": [ + "6-Hydroxytremetone", + "Dihydroeuparin" + ] + }, + { + "compound_id": "C08745", + "inchi": "InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23?,24?/m1/s1", + "name": "Lithospermic acid", + "names": [ + "Lithospermic acid" + ] + }, + { + "compound_id": "C08746", + "inchi": "InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,15-,16-,17-,18-,19-,22-,23-,24+,25+/m1/s1", + "name": "Ailanthinone", + "names": [ + "Ailanthinone" + ] + }, + { + "compound_id": "C08747", + "inchi": "InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1", + "name": "Ailanthone", + "names": [ + "Ailanthone" + ] + }, + { + "compound_id": "C08748", + "inchi": "InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1", + "name": "Azadirachtin A", + "names": [ + "Azadirachtin", + "Azadirachtin A" + ] + }, + { + "compound_id": "C08749", + "inchi": "InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1", + "name": "Bruceantin", + "names": [ + "Bruceantin" + ] + }, + { + "compound_id": "C08750", + "inchi": "InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1", + "name": "Bruceantinol", + "names": [ + "Bruceantinol" + ] + }, + { + "compound_id": "C08751", + "inchi": "InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1", + "name": "Bruceine B", + "names": [ + "Bruceine B" + ] + }, + { + "compound_id": "C08752", + "inchi": "InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1", + "name": "Bruceine D", + "names": [ + "Bruceine D" + ] + }, + { + "compound_id": "C08753", + "inchi": "InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1", + "name": "Bruceoside A", + "names": [ + "Bruceoside A" + ] + }, + { + "compound_id": "C08754", + "inchi": "InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1", + "name": "Brusatol", + "names": [ + "Brusatol" + ] + }, + { + "compound_id": "C08755", + "inchi": "InChI=1S/C25H34O9/c1-10(2)6-16(27)34-18-17-12(4)19(28)25(31)22-23(5)13(11(3)7-14(26)20(23)29)8-15(33-21(18)30)24(17,22)9-32-25/h7,10,12-13,15,17-20,22,28-29,31H,6,8-9H2,1-5H3/t12-,13+,15-,17-,18-,19-,20-,22-,23-,24+,25+/m1/s1", + "name": "Castelanone", + "names": [ + "Castelanone" + ] + }, + { + "compound_id": "C08756", + "inchi": "InChI=1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,15-,16-,17-,18-,19-,20+/m1/s1", + "name": "Chaparrin", + "names": [ + "Chaparrin" + ] + }, + { + "compound_id": "C08757", + "inchi": "InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1", + "name": "Chaparrinone", + "names": [ + "Chaparrinone" + ] + }, + { + "compound_id": "C08758", + "inchi": "InChI=1S/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1", + "name": "Chaparrolide", + "names": [ + "Chaparrolide" + ] + }, + { + "compound_id": "C08759", + "inchi": "InChI=1S/C19H24O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h5,8-9,12-16,22-23H,6H2,1-4H3/t8-,9+,12-,13+,14-,15-,16-,18+,19+/m1/s1", + "name": "Eurycomalactone", + "names": [ + "Eurycomalactone" + ] + }, + { + "compound_id": "C08760", + "inchi": "InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1", + "name": "Glaucarubin", + "names": [ + "Glaucarubin" + ] + }, + { + "compound_id": "C08761", + "inchi": "InChI=1S/C16H16O6/c1-18-9-7-5-6-8-10-13(19-2)11(17)15(20-3)16(21-4)14(10)22-12(8)9/h5-7,17H,1-4H3", + "name": "6-Methoxy-alpha-pyrufuran", + "names": [ + "6-Methoxy-alpha-pyrufuran" + ] + }, + { + "compound_id": "C08762", + "inchi": "InChI=1S/C14H14O3/c1-8(2)12-6-10-5-11(9(3)15)14(16-4)7-13(10)17-12/h5-7H,1H2,2-4H3", + "name": "6-O-Methyleuparin", + "names": [ + "1-(6-Methoxy-2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone", + "6-O-Methyleuparin" + ] + }, + { + "compound_id": "C08763", + "inchi": "InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1", + "name": "Glaucarubinone", + "names": [ + "Glaucarubinone" + ] + }, + { + "compound_id": "C08764", + "inchi": "InChI=1S/C20H26O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-9,11-15,17,22-24,26H,5-6H2,1-3H3/t8-,9+,11-,12-,13-,14-,15-,17-,18-,19+,20+/m1/s1", + "name": "Glaucarubolone", + "names": [ + "Glaucarubolone" + ] + }, + { + "compound_id": "C08765", + "inchi": "InChI=1/C25H34O7/c1-13(10-18(27)28)23(4)8-6-15-19(20(29)30)14(11-16(26)24(15,23)5)12-25-9-7-17(32-25)22(2,3)21(25)31/h6,13,16-17,26H,7-12H2,1-5H3,(H,27,28)(H,29,30)/t13-,16-,17+,23+,24+,25+/m1/s1/f/h27,29H", + "name": "Glycinoeclepin A", + "names": [ + "Glycinoeclepin A" + ] + }, + { + "compound_id": "C08766", + "inchi": "InChI=1S/C27H32O10/c1-21(2)20(30)25(31)22(3,11-8-16(28)33-6)15-7-10-23(4)17(14-9-12-34-13-14)35-19(29)18-26(23,36-18)24(15,5)27(25,32)37-21/h8-9,11-13,15,17-18,31-32H,7,10H2,1-6H3/b11-8-/t15-,17+,18-,22-,23+,24-,25+,26-,27+/m1/s1", + "name": "Harrisonin", + "names": [ + "Harrisonin" + ] + }, + { + "compound_id": "C08767", + "inchi": "InChI=1S/C28H36O10/c1-12(29)37-18-9-17(31)27-11-36-23(34)24(18,2)15(27)8-16(30)26(4)21(27)20(32)22(33)25(3)14(13-5-6-35-10-13)7-19-28(25,26)38-19/h5-6,10,14-19,21-23,30-31,33-34H,7-9,11H2,1-4H3/t14-,15-,16+,17-,18+,19+,21-,22-,23+,24+,25+,26+,27+,28+/m0/s1", + "name": "12alpha-Hydroxyamoorstatin", + "names": [ + "12alpha-Hydroxyamoorstatin" + ] + }, + { + "compound_id": "C08768", + "inchi": "InChI=1S/C26H32O9/c1-22(2,31)15-9-16(27)24(4)14(25(15)12-33-18(29)10-17(25)28)5-7-23(3)19(13-6-8-32-11-13)34-21(30)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", + "name": "Ichangin", + "names": [ + "Ichangin" + ] + }, + { + "compound_id": "C08769", + "inchi": "InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1", + "name": "Isobrucein A", + "names": [ + "Isobrucein A" + ] + }, + { + "compound_id": "C08770", + "inchi": "InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1", + "name": "Isobrucein B", + "names": [ + "Isobrucein B" + ] + }, + { + "compound_id": "C08771", + "inchi": "InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1", + "name": "Neoquassin", + "names": [ + "Neoquassin" + ] + }, + { + "compound_id": "C08772", + "inchi": "InChI=1S/C22H34O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-17,19,23-24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,15?,16+,17-,19-,20+,21-,22+/m1/s1", + "name": "Nigakihemiacetal A", + "names": [ + "Nigakihemiacetal A" + ] + }, + { + "compound_id": "C08773", + "inchi": "InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1", + "name": "Nomilin", + "names": [ + "Nomilin" + ] + }, + { + "compound_id": "C08774", + "inchi": "InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9-", + "name": "(Z)-2-Decene-4,6,8-triynoic acid methylester", + "names": [ + "(Z)-2-Decene-4,6,8-triynoic acid methylester" + ] + }, + { + "compound_id": "C08775", + "inchi": "InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1", + "name": "Obacunone", + "names": [ + "Obacunone" + ] + }, + { + "compound_id": "C08776", + "inchi": "InChI=1S/C23H34O7/c1-10-7-15(25)21(27)23(5)13(10)8-16-22(4)14(9-17(26)30-16)11(2)18(28-6)19(20(22)23)29-12(3)24/h10-11,13-16,18-20,25H,7-9H2,1-6H3/t10-,11-,13+,14+,15+,16-,18+,19-,20+,22-,23+/m1/s1", + "name": "Picrasin C", + "names": [ + "Nigakilactone J", + "Picrasin C", + "Quassin" + ] + }, + { + "compound_id": "C08777", + "inchi": "InChI=1/C27H36O11/c1-7-24(4,38-12(3)28)23(34)37-17-19-26(6)21(32)16(30)18-25(5)13(11(2)8-14(29)20(25)31)9-15(36-22(17)33)27(18,19)10-35-26/h8,13,15-21,30-32H,7,9-10H2,1-6H3/t13-,15+,16+,17+,18+,19-,20+,21-,24+,25-,26-,27+/m0/s1", + "name": "Quassimarin", + "names": [ + "Quassimarin" + ] + }, + { + "compound_id": "C08778", + "inchi": "InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1", + "name": "Quassin", + "names": [ + "Nigakilactone D", + "Quassin" + ] + }, + { + "compound_id": "C08779", + "inchi": "InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1", + "name": "Rutaevin", + "names": [ + "Rutaevin" + ] + }, + { + "compound_id": "C08780", + "inchi": "InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23+,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1", + "name": "Salannin", + "names": [ + "Salannin" + ] + }, + { + "compound_id": "C08781", + "inchi": "InChI=1S/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17+,18-/m1/s1", + "name": "Samaderin A", + "names": [ + "Samaderin A" + ] + }, + { + "compound_id": "C08782", + "inchi": "InChI=1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3/t9-,12+,14-,16-,17-,18-,19-,20+,23+,24-,25+/m1/s1", + "name": "Sergeolide", + "names": [ + "Sergeolide" + ] + }, + { + "compound_id": "C08783", + "inchi": "InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24+,25-/m1/s1", + "name": "Simalikilactone D", + "names": [ + "Simalikilactone D" + ] + }, + { + "compound_id": "C08784", + "inchi": "InChI=1S/C25H34O10/c1-10-6-13(26)19(29)23(5)12(10)7-14-24-9-33-25(32,21(23)24)18(28)11(2)16(24)17(20(30)34-14)35-15(27)8-22(3,4)31/h6,11-12,14,16-19,21,28-29,31-32H,7-9H2,1-5H3/t11-,12+,14-,16-,17-,18-,19-,21-,23-,24+,25+/m1/s1", + "name": "Soularubinone", + "names": [ + "Soularubinone" + ] + }, + { + "compound_id": "C08785", + "inchi": "InChI=1S/C31H38O9/c1-16-25(29(6)11-9-22(34)28(4,5)21(29)14-24(35)36-8)26(38-17(2)32)27(39-18(3)33)30(7)20(19-10-12-37-15-19)13-23-31(16,30)40-23/h9-12,15,20-21,23,25-27H,1,13-14H2,2-8H3/t20-,21-,23+,25+,26-,27-,29-,30+,31+/m0/s1", + "name": "Toonacilin", + "names": [ + "Toonacilin" + ] + }, + { + "compound_id": "C08786", + "inchi": "InChI=1S/C35H46O13/c1-8-15(2)29(42)47-30-31(5)20-12-21(38)33(7)25(34(20,14-44-30)27(41)24(45-16(3)36)28(31)46-17(4)37)23(39)26(40)32(6)19(18-9-10-43-13-18)11-22-35(32,33)48-22/h9-10,13,15,19-22,24-28,30,38,40-41H,8,11-12,14H2,1-7H3/t15-,19+,20+,21-,22-,24-,25+,26-,27+,28-,30+,31-,32-,33-,34+,35-/m1/s1", + "name": "Trichilin A", + "names": [ + "Trichilin A" + ] + }, + { + "compound_id": "C08787", + "inchi": "InChI=1S/C27H34O11/c1-7-10(2)22(32)37-17-15-11(3)8-14(29)20(31)25(15,6)24-26-9-35-27(24,34)19(30)12(4)16(26)18(36-13(5)28)23(33)38-21(17)26/h7-8,12,15-21,24,30-31,34H,9H2,1-6H3/b10-7+/t12-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26-,27+/m1/s1", + "name": "Undulatone", + "names": [ + "Undulatone" + ] + }, + { + "compound_id": "C08788", + "inchi": "InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3/t14-,15-,18+,19-,20+,23-,24-,25+,26+/m0/s1", + "name": "Zapoterin", + "names": [ + "Zapoterin" + ] + }, + { + "compound_id": "C08789", + "inchi": "InChI=1S/C30H50O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-24,31-32,34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24?,28+,29-,30+/m1/s1", + "name": "Bryodulcosigenin", + "names": [ + "Bryodulcosigenin" + ] + }, + { + "compound_id": "C08790", + "inchi": "InChI=1S/C42H68O13/c1-21(19-52-37-36(51)34(49)32(47)27(55-37)20-53-38-35(50)33(48)31(46)26(18-43)54-38)9-8-10-22(2)23-15-16-40(5)28-13-11-24-25(12-14-29(44)39(24,3)4)42(28,7)30(45)17-41(23,40)6/h9,11,22-23,25-29,31-38,43-44,46-51H,8,10,12-20H2,1-7H3/b21-9+/t22-,23-,25-,26-,27-,28+,29+,31-,32-,33+,34+,35-,36-,37-,38-,40+,41-,42+/m1/s1", + "name": "Carnosifloside I", + "names": [ + "Carnosifloside I" + ] + }, + { + "compound_id": "C08791", + "inchi": "InChI=1S/C48H78O18/c1-22(20-61-42-40(59)38(57)35(54)29(65-42)21-62-43-39(58)36(55)33(52)27(18-49)63-43)9-8-10-23(2)24-15-16-46(5)30-13-11-25-26(48(30,7)31(51)17-47(24,46)6)12-14-32(45(25,3)4)66-44-41(60)37(56)34(53)28(19-50)64-44/h9,11,23-24,26-30,32-44,49-50,52-60H,8,10,12-21H2,1-7H3/b22-9+/t23-,24-,26-,27-,28-,29-,30+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44+,46+,47-,48+/m1/s1", + "name": "Carnosifloside III", + "names": [ + "Carnosifloside III" + ] + }, + { + "compound_id": "C08792", + "inchi": "InChI=1S/C48H80O18/c1-22(20-61-42-40(59)38(57)35(54)29(65-42)21-62-43-39(58)36(55)33(52)27(18-49)63-43)9-8-10-23(2)24-15-16-46(5)30-13-11-25-26(48(30,7)31(51)17-47(24,46)6)12-14-32(45(25,3)4)66-44-41(60)37(56)34(53)28(19-50)64-44/h9,11,23-24,26-44,49-60H,8,10,12-21H2,1-7H3/b22-9+/t23-,24-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44+,46+,47-,48+/m1/s1", + "name": "Carnosifloside VI", + "names": [ + "Carnosifloside VI" + ] + }, + { + "compound_id": "C08793", + "inchi": "InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1", + "name": "Cucurbitacin A", + "names": [ + "Cucurbitacin A" + ] + }, + { + "compound_id": "C08794", + "inchi": "InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1", + "name": "Cucurbitacin B", + "names": [ + "Cucurbitacin B" + ] + }, + { + "compound_id": "C08795", + "inchi": "InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1", + "name": "Cucurbitacin C", + "names": [ + "Cucurbitacin C" + ] + }, + { + "compound_id": "C08796", + "inchi": "InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin D", + "names": [ + "Cucurbitacin D" + ] + }, + { + "compound_id": "C08797", + "inchi": "InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1", + "name": "Cucurbitacin E", + "names": [ + "Cucurbitacin E" + ] + }, + { + "compound_id": "C08798", + "inchi": "InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin F", + "names": [ + "Cucurbitacin F" + ] + }, + { + "compound_id": "C08799", + "inchi": "InChI=1S/C30H46O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16-20,23,31-33,37-38H,10-14H2,1-8H3/t16-,17+,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin H", + "names": [ + "Cucurbitacin H" + ] + }, + { + "compound_id": "C08800", + "inchi": "InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin I", + "names": [ + "Cucurbitacin I" + ] + }, + { + "compound_id": "C08801", + "inchi": "InChI=1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin J", + "names": [ + "Cucurbitacin J" + ] + }, + { + "compound_id": "C08802", + "inchi": "InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,13,17,19-20,23,31-32,36-37H,10-12,14-15H2,1-8H3/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin L", + "names": [ + "Cucurbitacin L" + ] + }, + { + "compound_id": "C08803", + "inchi": "InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin O", + "names": [ + "Cucurbitacin O" + ] + }, + { + "compound_id": "C08804", + "inchi": "InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1", + "name": "Cucurbitacin P", + "names": [ + "Cucurbitacin P" + ] + }, + { + "compound_id": "C08805", + "inchi": "InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1", + "name": "Cucurbitacin Q", + "names": [ + "Cucurbitacin Q" + ] + }, + { + "compound_id": "C08806", + "inchi": "InChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1", + "name": "Cucurbitacin S", + "names": [ + "Cucurbitacin S" + ] + }, + { + "compound_id": "C08807", + "inchi": "InChI=1S/C30H44O6/c1-25(2,35)12-11-22(33)30(8,36)23-20(32)16-29(7)21-10-9-17-18(15-19(31)24(34)26(17,3)4)27(21,5)13-14-28(23,29)6/h9,11-12,15,18,20-21,23,31-32,35-36H,10,13-14,16H2,1-8H3/b12-11+/t18-,20-,21-,23+,27+,28-,29+,30+/m1/s1", + "name": "11-Deoxocucurbitacin I", + "names": [ + "11-Deoxocucurbitacin I" + ] + }, + { + "compound_id": "C08808", + "inchi": "InChI=1S/C30H48O4/c1-25(2)18-9-11-21-27(5)15-13-20(29(7)16-14-24(34-29)26(3,4)33)28(27,6)17-23(32)30(21,8)19(18)10-12-22(25)31/h9,19-22,24,31,33H,10-17H2,1-8H3/t19-,20+,21+,22+,24+,27+,28-,29+,30+/m1/s1", + "name": "Gratiogenin", + "names": [ + "Gratiogenin" + ] + }, + { + "compound_id": "C08809", + "inchi": "InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1", + "name": "Spinoside A", + "names": [ + "Spinoside A" + ] + }, + { + "compound_id": "C08810", + "inchi": "InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1", + "name": "Ajugalactone", + "names": [ + "Ajugalactone" + ] + }, + { + "compound_id": "C08811", + "inchi": "InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1", + "name": "Ajugasterone C", + "names": [ + "Ajugasterone C" + ] + }, + { + "compound_id": "C08813", + "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1", + "name": "Brassicasterol", + "names": [ + "Brassicasterol" + ] + }, + { + "compound_id": "C08814", + "inchi": "InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1", + "name": "Brassinolide", + "names": [ + "Brassinolide" + ] + }, + { + "compound_id": "C08815", + "inchi": null, + "name": "Agar", + "names": [ + "Agar" + ] + }, + { + "compound_id": "C08816", + "inchi": "InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1", + "name": "Cyasterone", + "names": [ + "Cyasterone" + ] + }, + { + "compound_id": "C08817", + "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "Fucosterol", + "names": [ + "Fucosterol" + ] + }, + { + "compound_id": "C08818", + "inchi": null, + "name": "Carrageenan", + "names": [ + "Carrageenan" + ] + }, + { + "compound_id": "C08819", + "inchi": "InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1", + "name": "Inokosterone", + "names": [ + "Inokosterone" + ] + }, + { + "compound_id": "C08821", + "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "Isofucosterol", + "names": [ + "Isofucosterol", + "delta5-Avenasterol" + ] + }, + { + "compound_id": "C08822", + "inchi": null, + "name": "Gum arabic", + "names": [ + "Gum arabic" + ] + }, + { + "compound_id": "C08823", + "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22,24-25,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1", + "name": "Lichesterol", + "names": [ + "Lichesterol" + ] + }, + { + "compound_id": "C08825", + "inchi": "InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1", + "name": "Lophenol", + "names": [ + "4-Methylcholest-7-en-3-ol", + "4alpha-Methyl-5alpha-cholest-7-en-3beta-ol", + "Lophenol" + ] + }, + { + "compound_id": "C08827", + "inchi": null, + "name": "Gum tragacanth", + "names": [ + "Gum tragacanth", + "Tragacanth" + ] + }, + { + "compound_id": "C08829", + "inchi": "InChI=1S/C28H46O7/c1-15(16(2)14-29)10-24(33)27(5,34)23-7-9-28(35)18-11-20(30)19-12-21(31)22(32)13-25(19,3)17(18)6-8-26(23,28)4/h11,15-17,19,21-24,29,31-35H,6-10,12-14H2,1-5H3/t15-,16?,17+,19+,21-,22+,23+,24-,25-,26-,27-,28-/m1/s1", + "name": "Makisterone B", + "names": [ + "Makisterone B" + ] + }, + { + "compound_id": "C08830", + "inchi": "InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1", + "name": "24-Methylenecycloartanol", + "names": [ + "24-Methylenecycloartanol", + "9,19-Cyclolanostan-3-o1, 24-methylene-, (3beta)-" + ] + }, + { + "compound_id": "C08831", + "inchi": "InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1", + "name": "Miroestrol", + "names": [ + "Miroestrol" + ] + }, + { + "compound_id": "C08832", + "inchi": "InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1", + "name": "Podecdysone B", + "names": [ + "Podecdysone B" + ] + }, + { + "compound_id": "C08833", + "inchi": "InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)23-12-13-26(5)24-10-9-21-17-22(29)11-14-27(21)18-28(24,27)16-15-25(23,26)4/h19-24,29H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+/m1/s1", + "name": "Pollinastanol", + "names": [ + "Pollinastanol" + ] + }, + { + "compound_id": "C08834", + "inchi": "InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1", + "name": "Polypodine B", + "names": [ + "Polypodine B" + ] + }, + { + "compound_id": "C08835", + "inchi": "InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1", + "name": "Ponasterone A", + "names": [ + "Ponasterone A" + ] + }, + { + "compound_id": "C08836", + "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "Poriferasterol", + "names": [ + "(3beta,22E,24R)-Stigmasta-5,22-dien-3-ol", + "Poriferasterol" + ] + }, + { + "compound_id": "C08837", + "inchi": "InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1", + "name": "Poststerone", + "names": [ + "Poststerone" + ] + }, + { + "compound_id": "C08838", + "inchi": "InChI=1S/C27H44O7/c1-14(2)18(28)12-23(32)26(5,33)22-7-9-27(34)16-10-19(29)17-11-20(30)21(31)13-24(17,3)15(16)6-8-25(22,27)4/h10,14-15,17-18,20-23,28,30-34H,6-9,11-13H2,1-5H3/t15-,17-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1", + "name": "Pterosterone", + "names": [ + "Pterosterone" + ] + }, + { + "compound_id": "C08839", + "inchi": "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1", + "name": "Schottenol", + "names": [ + "7-Stigmastenol", + "Schottenol" + ] + }, + { + "compound_id": "C08840", + "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1", + "name": "alpha-Spinasterol", + "names": [ + "Spinasterol", + "alpha-Spinasterol" + ] + }, + { + "compound_id": "C08841", + "inchi": "InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1", + "name": "Withaferin A", + "names": [ + "Withaferin A" + ] + }, + { + "compound_id": "C08842", + "inchi": "InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1", + "name": "Withanolide D", + "names": [ + "Withanolide D" + ] + }, + { + "compound_id": "C08843", + "inchi": "InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22-,23-,24+,25+,26-,27+,28+,29-/m0/s1", + "name": "Adonitoxin", + "names": [ + "Adonitoxigenin 3-O-alpha-L-rhamnoside", + "Adonitoxin" + ] + }, + { + "compound_id": "C08844", + "inchi": "InChI=1S/C16H14O5/c1-19-12-6-15(20-2)13-8-14(21-16(13)7-12)9-3-10(17)5-11(18)4-9/h3-8,17-18H,1-2H3", + "name": "Moracin A", + "names": [ + "Moracin A" + ] + }, + { + "compound_id": "C08845", + "inchi": "InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1", + "name": "Adynerin", + "names": [ + "Adynerigenin 3-O-beta-D-diginoside", + "Adynerin" + ] + }, + { + "compound_id": "C08846", + "inchi": "InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+", + "name": "Mulberrofuran A", + "names": [ + "Mulberrofuran A" + ] + }, + { + "compound_id": "C08847", + "inchi": "InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1", + "name": "alpha-Antiarin", + "names": [ + "Antiarigenin 3-O-beta-D-antiaroside", + "alpha-Antiarin" + ] + }, + { + "compound_id": "C08848", + "inchi": "InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)19-11-20(30)27(3)17(15-10-21(31)37-13-15)6-9-29(27,36)18(19)5-8-28(26,35)12-16/h10,14,16-20,22-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1", + "name": "Antioside", + "names": [ + "Antiogenin 3-O-alpha-L-rhamnoside", + "Antioside" + ] + }, + { + "compound_id": "C08849", + "inchi": "InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1", + "name": "Asclepin", + "names": [ + "Asclepin" + ] + }, + { + "compound_id": "C08850", + "inchi": "InChI=1S/C29H42O10/c1-13-22(32)23(33)24(34)25(37-13)38-16-4-6-26(2)15(9-16)10-20-29(39-20)18(26)11-19(30)27(3)17(5-7-28(27,29)35)14-8-21(31)36-12-14/h8,13,15-20,22-25,30,32-35H,4-7,9-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1", + "name": "Aspecioside", + "names": [ + "Aspecioside" + ] + }, + { + "compound_id": "C08851", + "inchi": "InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27+,28-,29-/m0/s1", + "name": "Bipindoside", + "names": [ + "Bipindoside" + ] + }, + { + "compound_id": "C08852", + "inchi": "InChI=1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23-,24-,25+,26-/m0/s1", + "name": "Bryophyllin A", + "names": [ + "Bryophyllin A" + ] + }, + { + "compound_id": "C08853", + "inchi": "InChI=1S/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3/t16-,19+,20-,21-,22-,24-,25+,26+,28+,29+,30+,31+,32+/m1/s1", + "name": "Bryotoxin A", + "names": [ + "Bryotoxin A" + ] + }, + { + "compound_id": "C08854", + "inchi": "InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23-,25+,26-,27-,28+,29+/m1/s1", + "name": "Calactin", + "names": [ + "Calactin" + ] + }, + { + "compound_id": "C08855", + "inchi": "InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1", + "name": "Calotropin", + "names": [ + "Calotropin" + ] + }, + { + "compound_id": "C08856", + "inchi": "InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42-/m0/s1", + "name": "Thevetin B", + "names": [ + "Thevetin B" + ] + }, + { + "compound_id": "C08857", + "inchi": "InChI=1S/C32H44O11/c1-15-24(36)26(38-4)27(41-16(2)34)29(40-15)42-19-7-9-31(14-33)18(12-19)5-6-21-23(31)25-28(43-25)30(3)20(8-10-32(21,30)37)17-11-22(35)39-13-17/h11,14-15,18-21,23-29,36-37H,5-10,12-13H2,1-4H3/t15-,18+,19-,20+,21+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32-/m0/s1", + "name": "Cerbertin", + "names": [ + "Cerbertin" + ] + }, + { + "compound_id": "C08858", + "inchi": "InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1", + "name": "Convallatoxin", + "names": [ + "Convallatoxin", + "Strophanthidin 3-O-alpha-L-rhamnoside" + ] + }, + { + "compound_id": "C08859", + "inchi": "InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1", + "name": "Cymarin", + "names": [ + "Cymarin", + "Strophanthidin 3-O-beta-D-cymaroside" + ] + }, + { + "compound_id": "C08860", + "inchi": "InChI=1S/C30H42O9/c1-15-25(32)21(36-4)13-23(38-15)39-18-7-9-28(2)17(12-18)5-6-20-24(28)26(33)27(34)29(3)19(8-10-30(20,29)35)16-11-22(31)37-14-16/h11,15,17-21,23,25,32-33,35H,5-10,12-14H2,1-4H3/t15-,17+,18-,19+,20+,21-,23-,25-,28-,29-,30-/m0/s1", + "name": "Decoside", + "names": [ + "Decogenin 3-O-alpha-L-oleandroside", + "Decoside" + ] + }, + { + "compound_id": "C08861", + "inchi": "InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1", + "name": "Diginatin", + "names": [ + "Diginatigenin 3-O-tridigitoxoside", + "Diginatin" + ] + }, + { + "compound_id": "C08862", + "inchi": "InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1", + "name": "Digitalin", + "names": [ + "Digitalin", + "Gitoxigenin 3-O-glucosyldigitaloside" + ] + }, + { + "compound_id": "C08863", + "inchi": "InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27-,28-,29+,30-/m0/s1", + "name": "Divaricoside", + "names": [ + "Divaricoside", + "Divaside", + "Sarmentogenin 3-O-alpha-L-oleandroside" + ] + }, + { + "compound_id": "C08864", + "inchi": "InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27+,28-,29+,30-/m0/s1", + "name": "Divostroside", + "names": [ + "Divostroside", + "Sarmentogenin 3-O-alpha-L-diginoside" + ] + }, + { + "compound_id": "C08865", + "inchi": "InChI=1S/C29H38O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7,12,14-19,21-22,24,30,32,34-35H,4-6,8-11H2,1-3H3/t12-,14-,15-,16-,17-,18-,19+,21+,22-,24+,25+,26+,27-,28+,29+/m1/s1", + "name": "Eriocarpin", + "names": [ + "Eriocarpin" + ] + }, + { + "compound_id": "C08866", + "inchi": "InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1", + "name": "Gitoxin", + "names": [ + "Gitoxigenin 3-O-tridigitoxoside", + "Gitoxin" + ] + }, + { + "compound_id": "C08867", + "inchi": "InChI=1S/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1", + "name": "Hellebrigenin 3-acetate", + "names": [ + "Hellebrigenin 3-acetate" + ] + }, + { + "compound_id": "C08868", + "inchi": "InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-/m0/s1", + "name": "Hellebrin", + "names": [ + "Hellebrigenin 3-O-glucosylrhamnoside", + "Hellebrin" + ] + }, + { + "compound_id": "C08869", + "inchi": "InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1", + "name": "Helveticoside", + "names": [ + "Helveticoside", + "Strophanthidin 3-O-beta-D-digitoxoside" + ] + }, + { + "compound_id": "C08870", + "inchi": "InChI=1S/C29H36O11/c1-12-6-18(30)29(35)24(37-12)38-16-8-14-9-19-28(40-19)22(25(14,2)10-17(16)39-29)21(32)23(33)26(3)15(4-5-27(26,28)34)13-7-20(31)36-11-13/h7,12,14-17,19,21-22,24,32,34-35H,4-6,8-11H2,1-3H3/t12-,14-,15-,16-,17-,19+,21+,22-,24+,25+,26+,27-,28+,29+/m1/s1", + "name": "Labriformidin", + "names": [ + "Labriformidin" + ] + }, + { + "compound_id": "C08871", + "inchi": "InChI=1/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29?,30+,31-/m1/s1", + "name": "Labriformin", + "names": [ + "Labriformin" + ] + }, + { + "compound_id": "C08872", + "inchi": "InChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1", + "name": "Lanceotoxin A", + "names": [ + "Lanceotoxin A" + ] + }, + { + "compound_id": "C08873", + "inchi": "InChI=1S/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,28-,29+,30-,31-,32-/m0/s1", + "name": "Lanceotoxin B", + "names": [ + "Lanceotoxin B" + ] + }, + { + "compound_id": "C08874", + "inchi": "InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22-,23+,24+,25-,26+,27+,28-,29-/m0/s1", + "name": "Lokundjoside", + "names": [ + "Bipindogenin 3-O-alpha-L-rhamnoside", + "Cuspidoside", + "Lokundjoside" + ] + }, + { + "compound_id": "C08875", + "inchi": "InChI=1S/C30H44O10/c1-14-22(32)25(37-4)24(34)27(39-14)40-17-7-9-28(2)16(12-17)5-6-19-21(28)23(33)26(35)29(3)18(8-10-30(19,29)36)15-11-20(31)38-13-15/h11,14,16-19,21-22,24-27,32,34-36H,5-10,12-13H2,1-4H3/t14-,16-,17+,18-,19-,21-,22+,24-,25+,26-,27+,28+,29+,30+/m1/s1", + "name": "Musaroside", + "names": [ + "Musaroside", + "Sarmutogenin 3-O-beta-D-digitaloside" + ] + }, + { + "compound_id": "C08876", + "inchi": "InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1", + "name": "Neriifolin", + "names": [ + "Digitoxigenin 3-(alpha-L-thevetoside)", + "Neriifolin" + ] + }, + { + "compound_id": "C08877", + "inchi": "InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16+,17-,18+,19+,20+,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1", + "name": "Rhodexin A", + "names": [ + "Rhodexin A", + "Sarmentogenin 3-O-alpha-L-rhamnoside" + ] + }, + { + "compound_id": "C08878", + "inchi": "InChI=1S/C29H44O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,14,16-19,21-25,30-31,33-37H,3-8,10-13H2,1-2H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1", + "name": "Sarmentoloside", + "names": [ + "Sarmentologenin 3-O-(6-deoxy-alpha-L-taloside)", + "Sarmentoloside" + ] + }, + { + "compound_id": "C08879", + "inchi": "InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1", + "name": "Scillaren A", + "names": [ + "Scillaren A", + "Scillarenin 3-O-glucosylrhamnoside" + ] + }, + { + "compound_id": "C08880", + "inchi": "InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1", + "name": "Scilliroside", + "names": [ + "Scilliroside", + "Scillirosidin 3-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C08881", + "inchi": "InChI=1S/C42H64O19/c1-19-35(60-38-34(51)32(49)36(27(16-44)59-38)61-37-33(50)31(48)30(47)26(15-43)58-37)25(54-3)13-29(56-19)57-21-4-9-40(18-45)23-5-8-39(2)22(20-12-28(46)55-17-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43-44,47-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31+,32-,33-,34-,35?,36?,37?,38?,39-,40+,41+,42+/m1/s1", + "name": "k-Strophanthoside", + "names": [ + "Strophanthidin 3-diglucosylcymarose", + "k-Strophanthoside" + ] + }, + { + "compound_id": "C08882", + "inchi": "InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40+,41+,42-/m0/s1", + "name": "Thevetin A", + "names": [ + "Cannogenin 3-O-gentiobiosylthevetoside", + "Thevetin A" + ] + }, + { + "compound_id": "C08883", + "inchi": "InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1", + "name": "Uscharidin", + "names": [ + "Uscharidin" + ] + }, + { + "compound_id": "C08884", + "inchi": "InChI=1S/C30H44O10/c1-16-26(34)22(37-3)11-24(39-16)40-18-4-8-28(15-31)19-5-7-27(2)25(17-10-23(33)38-14-17)21(32)13-30(27,36)20(19)6-9-29(28,35)12-18/h10,15-16,18-22,24-26,32,34-36H,4-9,11-14H2,1-3H3/t16-,18+,19+,20-,21+,22-,24+,25+,26+,27-,28+,29+,30+/m1/s1", + "name": "Vernadigin", + "names": [ + "Strophadogenin 3-O-beta-D-diginoside", + "Vernadigin" + ] + }, + { + "compound_id": "C08885", + "inchi": "InChI=1S/C33H52O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)12-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)8-9-31(18,3)21(20)13-25(35)32(22,26)4/h16-24,26-30,34,36-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24-,26+,27+,28+,29-,30-,31+,32-,33-/m1/s1", + "name": "Agavoside A", + "names": [ + "Agavoside A" + ] + }, + { + "compound_id": "C08886", + "inchi": "InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1", + "name": "Asparagoside A", + "names": [ + "(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside", + "Asparagoside A" + ] + }, + { + "compound_id": "C08887", + "inchi": "InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,74-51)19-65-44-38(61)36(59)33(56)28(16-52)68-44)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)67-47-43(72-46-40(63)37(60)34(57)29(17-53)69-46)41(64)42(30(18-54)70-47)71-45-39(62)35(58)32(55)21(2)66-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3/t20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42?,43?,44+,45?,46?,47+,48-,49-,50-,51-/m0/s1", + "name": "Avenacoside A", + "names": [ + "Avenacoside A" + ] + }, + { + "compound_id": "C08888", + "inchi": "InChI=1S/C57H92O28/c1-21-33-28(84-57(21)13-12-54(3,85-57)20-74-49-41(69)39(67)35(63)29(16-58)77-49)15-27-25-7-6-23-14-24(8-10-55(23,4)26(25)9-11-56(27,33)5)76-53-48(44(72)46(32(19-61)80-53)81-50-42(70)38(66)34(62)22(2)75-50)83-52-45(73)47(37(65)31(18-60)79-52)82-51-43(71)40(68)36(64)30(17-59)78-51/h6,21-22,24-53,58-73H,7-20H2,1-5H3/t21-,22-,24-,25+,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46?,47-,48?,49+,50?,51-,52?,53+,54-,55-,56-,57-/m0/s1", + "name": "Avenacoside B", + "names": [ + "Avenacoside B" + ] + }, + { + "compound_id": "C08889", + "inchi": "InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-59-50(84)52(40(74)33(17-67)91-59)95-58-49(83)45(79)51(35(19-69)93-58)94-60-54(97-57-48(82)44(78)39(73)32(16-66)90-57)53(41(75)34(18-68)92-60)96-56-47(81)43(77)38(72)31(15-65)89-56/h21-60,64-85H,5-20H2,1-4H3/t21-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48-,49-,50-,51+,52+,53+,54?,55-,56+,57?,58+,59-,60+,61+,62+,63-/m1/s1", + "name": "Capsicoside A", + "names": [ + "Capsicoside A" + ] + }, + { + "compound_id": "C08890", + "inchi": "InChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1", + "name": "Convallagenin A", + "names": [ + "Convallagenin A" + ] + }, + { + "compound_id": "C08891", + "inchi": "InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1", + "name": "Convallamarogenin", + "names": [ + "Convallamarogenin" + ] + }, + { + "compound_id": "C08892", + "inchi": "InChI=1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49?,50+,51-,52?,53-,54-,55-,56-,57+/m0/s1", + "name": "Convallamaroside", + "names": [ + "Convallamaroside" + ] + }, + { + "compound_id": "C08893", + "inchi": "InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1", + "name": "Convallasaponin A", + "names": [ + "Convallasaponin A" + ] + }, + { + "compound_id": "C08894", + "inchi": "InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38?,39?,40?,41?,42-,43+,44+,45-/m1/s1", + "name": "Deltonin", + "names": [ + "Deltonin" + ] + }, + { + "compound_id": "C08895", + "inchi": "InChI=1S/C51H84O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43?,44?,45-,46?,47?,48-,49+,50+,51-/m1/s1", + "name": "Deltoside", + "names": [ + "Deltoside" + ] + }, + { + "compound_id": "C08896", + "inchi": "InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1", + "name": "Digitogenin", + "names": [ + "Digitogenin" + ] + }, + { + "compound_id": "C08897", + "inchi": "InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38?,39?,40?,41?,42-,43+,44+,45-/m1/s1", + "name": "Dioscin", + "names": [ + "Dioscin" + ] + }, + { + "compound_id": "C08898", + "inchi": "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", + "name": "Diosgenin", + "names": [ + "Diosgenin" + ] + }, + { + "compound_id": "C08899", + "inchi": "InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1", + "name": "Gitogenin", + "names": [ + "Gitogenin" + ] + }, + { + "compound_id": "C08900", + "inchi": "InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43?,44+,45-,46?,47+,48+,49+,50-/m1/s1", + "name": "Gitonin", + "names": [ + "Gitonin" + ] + }, + { + "compound_id": "C08901", + "inchi": "InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39?,40?,41+,42-,43+,44+,45-/m1/s1", + "name": "Gracillin", + "names": [ + "Gracillin" + ] + }, + { + "compound_id": "C08902", + "inchi": "InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1", + "name": "Hecogenin", + "names": [ + "Hecogenin" + ] + }, + { + "compound_id": "C08904", + "inchi": "InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39?,40-,41?,42-,43+,44+,45-/m1/s1", + "name": "Officinalisnin I", + "names": [ + "Officinalisnin I" + ] + }, + { + "compound_id": "C08905", + "inchi": "InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24?,25+,26+,27-,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39?,40-,41?,42+,43-,44-,45-/m1/s1", + "name": "Osladin", + "names": [ + "Osladin" + ] + }, + { + "compound_id": "C08906", + "inchi": "InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42-,43?,44?,45+,46?,47?,48+,49-,50-,51+/m0/s1", + "name": "Parillin", + "names": [ + "Parillin" + ] + }, + { + "compound_id": "C08907", + "inchi": "InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43?,44?,45-,46?,47?,48-,49+,50+,51-/m1/s1", + "name": "Protodioscin", + "names": [ + "Protodioscin" + ] + }, + { + "compound_id": "C08908", + "inchi": "InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44?,45-,46?,47+,48-,49+,50+,51-/m1/s1", + "name": "Protogracillin", + "names": [ + "Protogracillin" + ] + }, + { + "compound_id": "C08909", + "inchi": "InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Ruscogenin", + "names": [ + "Ruscogenin" + ] + }, + { + "compound_id": "C08910", + "inchi": "InChI=1S/C50H80O23/c1-19(17-65-44-39(61)37(59)35(57)29(15-51)69-44)8-11-50(64)20(2)32-28(73-50)14-26-24-7-6-22-12-23(13-31(54)49(22,5)25(24)9-10-48(26,32)4)68-47-43(34(56)27(53)18-66-47)72-46-41(63)42(33(55)21(3)67-46)71-45-40(62)38(60)36(58)30(16-52)70-45/h6,20-21,23-47,51-64H,1,7-18H2,2-5H3/t20-,21-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37-,38-,39+,40+,41+,42?,43?,44+,45?,46?,47-,48-,49-,50+/m0/s1", + "name": "Ruscoside", + "names": [ + "Ruscoside" + ] + }, + { + "compound_id": "C08911", + "inchi": "InChI=1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3/t21-,22-,23-,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47-,48?,49?,50+,51+,52?,53?,54+,55-,56-,57+/m0/s1", + "name": "Sarsaparilloside", + "names": [ + "Sarsaparilloside" + ] + }, + { + "compound_id": "C08912", + "inchi": "InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-41-36(53)34(51)32(49)28(16-46)58-41)37(54)38(29(17-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h19-42,46-54H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37-,38?,39?,40?,41?,42+,43-,44-,45+/m0/s1", + "name": "Sarsasapogenin 3-O-4G-rhamnosylsophoroside", + "names": [ + "Sarsasapogenin 3-O-4G-rhamnosylsophoroside" + ] + }, + { + "compound_id": "C08913", + "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", + "name": "Smilagenin", + "names": [ + "(25R)-5beta-Spirostan-3beta-ol", + "Smilagenin" + ] + }, + { + "compound_id": "C08914", + "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", + "name": "Tigogenin", + "names": [ + "5-alpha-Spirostan-3-beta-ol", + "Tigogenin" + ] + }, + { + "compound_id": "C08915", + "inchi": "InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,48?,49+,50-,51+,52?,53+,54+,55+,56-/m1/s1", + "name": "Tigonin", + "names": [ + "Tigonin" + ] + }, + { + "compound_id": "C08916", + "inchi": "InChI=1S/C32H52O9/c1-15-7-10-32(39-13-15)16(2)24-23(41-32)12-20-18-6-5-17-11-21(33)26(36)28(31(17,4)19(18)8-9-30(20,24)3)40-29-27(37)25(35)22(34)14-38-29/h15-29,33-37H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29+,30+,31+,32-/m1/s1", + "name": "Tokoronin", + "names": [ + "Tokoronin" + ] + }, + { + "compound_id": "C08917", + "inchi": "InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43?,44?,45+,46?,47?,48+,49-,50-,51+/m0/s1", + "name": "Trigonelloside C", + "names": [ + "Asparasaponin I", + "Trigonelloside C" + ] + }, + { + "compound_id": "C08918", + "inchi": "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", + "name": "Yamogenin", + "names": [ + "Yamogenin" + ] + }, + { + "compound_id": "C08919", + "inchi": "InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34?,35?,36+,37-,38-,39+/m0/s1", + "name": "Yamogenin 3-O-neohesperidoside", + "names": [ + "Yamogenin 3-O-neohesperidoside" + ] + }, + { + "compound_id": "C08920", + "inchi": "InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20?,21-,22+,23-,24-,25-,26+,27-,28+,30-,32+,33-,34-,35+,36-/m0/s1", + "name": "Abrusoside A", + "names": [ + "Abrusoside A" + ] + }, + { + "compound_id": "C08921", + "inchi": "InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40?,41?,42-,43-,44-,47?,48?,49+,51-,52+,53+,54+,55-/m0/s1", + "name": "Aescin", + "names": [ + "Aescin", + "Escin" + ] + }, + { + "compound_id": "C08922", + "inchi": "InChI=1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1", + "name": "Aridanin", + "names": [ + "Aridanin" + ] + }, + { + "compound_id": "C08923", + "inchi": "InChI=1S/C48H78O18/c1-43(2)14-16-48(42(60)66-40-36(58)34(56)31(53)25(20-50)62-40)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-37(59)38(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,45-,46+,47+,48-/m0/s1", + "name": "Arvensoside A", + "names": [ + "Arvensoside A" + ] + }, + { + "compound_id": "C08924", + "inchi": "InChI=1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30?,31-,32-,33?,34-,37+,38-,39+,40-,41+/m0/s1", + "name": "Astragaloside III", + "names": [ + "Astragaloside III" + ] + }, + { + "compound_id": "C08925", + "inchi": "InChI=1S/C47H78O18/c1-20-28(51)31(54)33(56)38(60-20)64-35-29(52)22(50)18-59-40(35)63-26-10-12-47-19-46(47)14-13-43(6)36(45(8)11-9-27(65-45)42(4,5)58)21(49)16-44(43,7)25(46)15-23(37(47)41(26,2)3)61-39-34(57)32(55)30(53)24(17-48)62-39/h20-40,48-58H,9-19H2,1-8H3/t20-,21-,22+,23?,24+,25-,26-,27-,28-,29-,30+,31+,32-,33+,34+,35?,36-,37-,38?,39?,40-,43+,44-,45+,46-,47+/m0/s1", + "name": "Astrasieversianin XVI", + "names": [ + "Astrasieversianin XVI" + ] + }, + { + "compound_id": "C08926", + "inchi": "InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44?,46+,47?,48+,49+,50+,51+,52+,53-,54+,55-/m1/s1", + "name": "Avenacin A-1", + "names": [ + "Avenacin A-1" + ] + }, + { + "compound_id": "C08927", + "inchi": "InChI=1S/C54H80O20/c1-48(2)29-13-16-52(6)30(17-34-54(74-34)31-18-49(3,24-57)35(71-44(66)25-11-9-8-10-12-25)20-51(31,5)32(58)19-53(52,54)7)50(29,4)15-14-33(48)72-47-43(73-46-42(65)40(63)37(60)27(22-56)69-46)38(61)28(23-67-47)70-45-41(64)39(62)36(59)26(21-55)68-45/h8-12,24,26-43,45-47,55-56,58-65H,13-23H2,1-7H3/t26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41-,42-,43?,45+,46?,47+,49+,50+,51+,52-,53+,54-/m1/s1", + "name": "Avenacin B-2", + "names": [ + "Avenacin B-2" + ] + }, + { + "compound_id": "C08928", + "inchi": "InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1", + "name": "Mulberrofuran C", + "names": [ + "Mulberrofuran C" + ] + }, + { + "compound_id": "C08929", + "inchi": "InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)14(18-2)11(12)16/h4-7,16H,1-3H3", + "name": "alpha-Pyrufuran", + "names": [ + "1,3,4-Trimethoxy-2-dibenzofuranol", + "alpha-Pyrufuran" + ] + }, + { + "compound_id": "C08930", + "inchi": "InChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32?,34?,35+,37+,38+,39-,40+,41+,42+/m0/s1", + "name": "Azukisaponin III", + "names": [ + "Azukisaponin III" + ] + }, + { + "compound_id": "C08931", + "inchi": "InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1", + "name": "Barringtogenol C", + "names": [ + "Barringtogenol C" + ] + }, + { + "compound_id": "C08932", + "inchi": "InChI=1S/C42H68O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-31(51)29(49)32(24(18-44)55-35)56-34-30(50)28(48)27(47)23(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32?,33-,34?,35-,38-,39-,40+,41+,42-/m0/s1", + "name": "Bayogenin 3-O-cellobioside", + "names": [ + "Bayogenin 3-O-cellobioside" + ] + }, + { + "compound_id": "C08933", + "inchi": "InChI=1S/C55H86O25/c1-22(59)80-55-21-50(2,3)14-11-23(55)24(60)17-54(8)30(55)10-9-29-52(6)15-13-31(51(4,5)28(52)12-16-53(29,54)7)75-49-43(78-47-39(68)36(65)33(62)26(19-57)73-47)40(69)41(44(79-49)45(70)71)76-48-42(37(66)34(63)27(20-58)74-48)77-46-38(67)35(64)32(61)25(18-56)72-46/h10,23,25-29,31-44,46-49,56-58,61-69H,9,11-21H2,1-8H3,(H,70,71)/t23-,25-,26-,27-,28+,29-,31+,32-,33+,34+,35+,36+,37+,38-,39-,40+,41?,42?,43?,44+,46?,47?,48?,49-,52+,53-,54-,55+/m1/s1", + "name": "Camellidin I", + "names": [ + "Camellidin I" + ] + }, + { + "compound_id": "C08934", + "inchi": "InChI=1S/C53H84O24/c1-48(2)13-10-21-22(57)16-52(7)28(53(21,69)20-48)9-8-27-50(5)14-12-29(49(3,4)26(50)11-15-51(27,52)6)73-47-42(77-45-37(65)34(62)31(59)24(18-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(19-56)72-46)76-44-36(64)33(61)30(58)23(17-54)70-44/h9,21,23-27,29-42,44-47,54-56,58-66,69H,8,10-20H2,1-7H3,(H,67,68)/t21-,23-,24-,25-,26+,27-,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39+,40+,41?,42?,44?,45?,46+,47-,50+,51-,52-,53+/m1/s1", + "name": "Camellidin II", + "names": [ + "Camellidin II" + ] + }, + { + "compound_id": "C08935", + "inchi": "InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23+,24-,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36+,37?/m1/s1", + "name": "Cimicifugoside", + "names": [ + "Cimicifugoside" + ] + }, + { + "compound_id": "C08936", + "inchi": "InChI=1S/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37?,38+,39-,40?,41-,42-,44-,45+,46-,47-,48-/m0/s1", + "name": "Colubrin", + "names": [ + "Colubrin" + ] + }, + { + "compound_id": "C08937", + "inchi": "InChI=1S/C50H78O19/c1-23(2)16-26-17-48(9,59)41-27-10-11-32-46(7)14-13-33(45(5,6)31(46)12-15-47(32,8)49(27)21-50(41,69-26)62-22-49)66-44-40(64-25(4)53)37(29(55)20-61-44)67-43-36(58)39(38(63-24(3)52)30(18-51)65-43)68-42-35(57)34(56)28(54)19-60-42/h16,26-44,51,54-59H,10-15,17-22H2,1-9H3/t26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41-,42-,43-,44-,46-,47+,48-,49-,50-/m0/s1", + "name": "Colubrinoside", + "names": [ + "Colubrinoside" + ] + }, + { + "compound_id": "C08938", + "inchi": "InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45?,46?,47?,48+,49?,50+,51+,53+,54+,55-,56+,57-,58+/m1/s1", + "name": "Cyclamin", + "names": [ + "Cyclamin" + ] + }, + { + "compound_id": "C08939", + "inchi": "InChI=1S/C47H80O18/c1-21(8-11-28(50)42(3,4)59)30-24(63-41-38(58)35(55)33(53)25(64-41)18-61-39-37(57)34(54)31(51)22(2)62-39)16-45(7)27-10-9-26-43(5,20-48)29(65-40-36(56)32(52)23(49)17-60-40)12-13-46(26)19-47(27,46)15-14-44(30,45)6/h21-41,48-59H,8-20H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28+,29+,30?,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41-,43-,44-,45+,46-,47+/m1/s1", + "name": "Cyclofoetoside B", + "names": [ + "Cyclofoetoside B" + ] + }, + { + "compound_id": "C08940", + "inchi": "InChI=1S/C45H72O16/c1-40(2)14-15-45(39(54)55)22(16-40)21-8-9-27-42(5)12-11-29(41(3,4)26(42)10-13-43(27,6)44(21,7)17-28(45)49)59-37-34(31(51)24(47)19-57-37)61-38-35(32(52)25(48)20-58-38)60-36-33(53)30(50)23(46)18-56-36/h8,22-38,46-53H,9-20H2,1-7H3,(H,54,55)/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,34?,35?,36?,37-,38?,42-,43+,44+,45+/m0/s1", + "name": "Desglucomusennin", + "names": [ + "Desglucomusennin" + ] + }, + { + "compound_id": "C08941", + "inchi": "InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-32(50)30(48)28(46)23(19-44)55-34)16-14-39(4)20(21(42)17-37)7-8-24-38(3)11-10-26(41(6,35(51)52)25(38)9-12-40(24,39)5)56-33-31(49)29(47)27(45)22(18-43)54-33/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,38+,39+,40+,41-,42-/m0/s1", + "name": "Dianoside A", + "names": [ + "Dianoside A" + ] + }, + { + "compound_id": "C08942", + "inchi": "InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1", + "name": "Echinocystic acid", + "names": [ + "Echinocystic acid" + ] + }, + { + "compound_id": "C08943", + "inchi": "InChI=1S/C41H64O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-27,29-34,42-43,45-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,29+,30-,31+,32?,33?,34-,38-,39+,40+,41-/m0/s1", + "name": "Flaccidin B", + "names": [ + "Flaccidin B" + ] + }, + { + "compound_id": "C08944", + "inchi": "InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25?,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39?,40-,41?,42-,43?,45+,46+,47+,48-/m0/s1", + "name": "Ginsenoside Re", + "names": [ + "Ginsenoside Re" + ] + }, + { + "compound_id": "C08945", + "inchi": "InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23?,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34?,35-,36?,37?,39+,40+,41+,42-/m0/s1", + "name": "Ginsenoside Rf", + "names": [ + "Ginsenoside Rf" + ] + }, + { + "compound_id": "C08946", + "inchi": "InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23?,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36?,37-,39+,40+,41+,42-/m0/s1", + "name": "Ginsenoside Rg1", + "names": [ + "Ginsenoside Rg1", + "Sanchinoside C1" + ] + }, + { + "compound_id": "C08947", + "inchi": "InChI=1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1", + "name": "Gymnemic acid I", + "names": [ + "Gymnemic acid I" + ] + }, + { + "compound_id": "C08948", + "inchi": "InChI=1S/C15H14O5/c1-17-12-10-8-6-4-5-7-9(8)20-13(10)15(19-3)11(16)14(12)18-2/h4-7,16H,1-3H3", + "name": "beta-Pyrufuran", + "names": [ + "1,2,4-Trimethoxy-3-dibenzofuranol", + "beta-Pyrufuran" + ] + }, + { + "compound_id": "C08949", + "inchi": "InChI=1S/C47H78O18/c1-23(2)8-7-14-47(59,22-61-40-37(57)35(55)33(53)27(18-48)62-40)25-11-15-44(5)24(25)9-10-30-45(44,6)16-12-29-43(3,4)31(13-17-46(29,30)21-50)64-42-39(32(52)26(51)20-60-42)65-41-38(58)36(56)34(54)28(19-49)63-41/h8,21,24-42,48-49,51-59H,7,9-20,22H2,1-6H3/t24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39?,40-,41?,42+,44-,45-,46-,47-/m1/s1", + "name": "Gypenoside XXV", + "names": [ + "Gypenoside XXV" + ] + }, + { + "compound_id": "C08950", + "inchi": "InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1", + "name": "Gypsogenin", + "names": [ + "Gypsogenin" + ] + }, + { + "compound_id": "C08951", + "inchi": "InChI=1S/C24H28O7/c1-7-10(4)18(26)17-22(30)12(6)21(29)16-15-20(28)11(5)19(27)14(13(25)8-9(2)3)23(15)31-24(16)17/h9-10,27-30H,7-8H2,1-6H3", + "name": "Pseudorhodomyrtoxin", + "names": [ + "Pseudorhodomyrtoxin", + "psi-Rhodomyrtoxin" + ] + }, + { + "compound_id": "C08952", + "inchi": "InChI=1S/C42H64O14/c1-20-26(44)27(45)28(46)34(53-20)55-31-29(47)32(33(49)50)56-35(30(31)48)54-25-11-12-38(4)23(39(25,5)19-43)10-13-41(7)24(38)9-8-21-22-18-37(2,3)14-16-42(22,36(51)52)17-15-40(21,41)6/h8,19-20,22-32,34-35,44-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t20-,22-,23+,24+,25-,26-,27+,28+,29-,30+,31-,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1", + "name": "Gypsogenin 3-O-rhamnosylglucuronide", + "names": [ + "Gypsogenin 3-O-rhamnosylglucuronide" + ] + }, + { + "compound_id": "C08953", + "inchi": "InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1", + "name": "Hederagenin 3-O-arabinoside", + "names": [ + "Cauloside A", + "Hederagenin 3-O-arabinoside" + ] + }, + { + "compound_id": "C08954", + "inchi": "InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32?,33?,34-,37-,38-,39+,40+,41-/m0/s1", + "name": "alpha-Hederin", + "names": [ + "alpha-Hederin" + ] + }, + { + "compound_id": "C08955", + "inchi": "InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32?,33?,34-,38-,39+,40+,41-/m0/s1", + "name": "beta-Hederin", + "names": [ + "beta-Hederin" + ] + }, + { + "compound_id": "C08956", + "inchi": "InChI=1S/C53H86O21/c1-22-32(56)35(59)38(62)44(69-22)74-42-33(57)23(2)70-46(40(42)64)73-41-27(21-68-43-37(61)34(58)26(54)20-67-43)71-45(39(63)36(41)60)72-31-13-14-50(7)28(49(31,5)6)12-15-51(8)29(50)11-10-24-25-18-48(3,4)16-17-53(25,47(65)66)30(55)19-52(24,51)9/h10,22-23,25-46,54-64H,11-21H2,1-9H3,(H,65,66)/t22-,23-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41?,42?,43-,44?,45-,46?,50-,51+,52+,53+/m0/s1", + "name": "Helianthoside A", + "names": [ + "Helianthoside A" + ] + }, + { + "compound_id": "C08957", + "inchi": "InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(18-36)41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23-,24+,25-,27-,28+,29-,32-,33+,34+,35-/m0/s1", + "name": "Ilexolide A", + "names": [ + "Ilexolide A" + ] + }, + { + "compound_id": "C08958", + "inchi": "InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37?,38+,39?,40-,41-,45-,46+,47+,48-/m0/s1", + "name": "Lemmatoxin", + "names": [ + "Lemmatoxin" + ] + }, + { + "compound_id": "C08959", + "inchi": "InChI=1S/C48H76O21/c1-43(2)11-13-48(42(62)63)14-12-45(4)20(21(48)15-43)7-8-26-44(3)16-22(51)37(47(6,41(60)61)27(44)9-10-46(26,45)5)69-40-35(59)36(30(54)24(18-50)66-40)68-39-34(58)32(56)29(53)25(67-39)19-64-38-33(57)31(55)28(52)23(17-49)65-38/h7,21-40,49-59H,8-19H2,1-6H3,(H,60,61)(H,62,63)/t21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,44+,45+,46+,47-,48-/m0/s1", + "name": "Medicagenic acid 3-O-triglucoside", + "names": [ + "Medicagenic acid 3-O-triglucoside" + ] + }, + { + "compound_id": "C08960", + "inchi": "InChI=1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)/t23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37+,38-,39?,40?,41?,42-,43-,44?,48-,49+,50+,51+/m0/s1", + "name": "Musennin", + "names": [ + "Musennin" + ] + }, + { + "compound_id": "C08961", + "inchi": "InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25?,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38?,39-,40?,41-,42?,44+,45+,46+,47-/m0/s1", + "name": "Notoginsenoside R1", + "names": [ + "Notoginsenoside R1" + ] + }, + { + "compound_id": "C08962", + "inchi": "InChI=1S/C48H76O18/c1-21-28(50)30(52)33(55)39(61-21)64-36-32(54)35(57)41(65-37(36)38(58)59)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-34(56)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+,36?,37-,39?,40-,41+,45-,46+,47+,48-/m0/s1", + "name": "Olaxoside", + "names": [ + "Olaxoside" + ] + }, + { + "compound_id": "C08963", + "inchi": "InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-35(57)33(55)31(53)25(20-50)62-40)36(58)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37?,38?,39?,40?,41-,45-,46+,47+,48-/m0/s1", + "name": "Oleanoglycotoxin-A", + "names": [ + "Oleanoglycotoxin-A" + ] + }, + { + "compound_id": "C08964", + "inchi": "InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1", + "name": "Oleanoic acid 3-O-glucuronide", + "names": [ + "Oleanoic acid 3-O-glucuronide", + "Silphioside F" + ] + }, + { + "compound_id": "C08965", + "inchi": "InChI=1S/C29H44O3/c1-24(2)19-9-12-27(5)20(26(19,4)11-10-22(24)30)8-7-17-18-15-25(3)13-14-29(18,23(31)32)21(25)16-28(17,27)6/h7,18-22,30H,8-16H2,1-6H3,(H,31,32)/t18-,19-,20+,21-,22-,25+,26-,27+,28+,29+/m0/s1", + "name": "Pfaffic acid", + "names": [ + "Pfaffic acid" + ] + }, + { + "compound_id": "C08966", + "inchi": "InChI=1S/C40H60O13/c1-35(2)21-9-12-38(5)22(8-7-18-19-15-36(3)13-14-40(19,34(48)49)23(36)16-39(18,38)6)37(21,4)11-10-24(35)51-33-30(27(44)26(43)29(52-33)31(46)47)53-32-28(45)25(42)20(41)17-50-32/h7,19-30,32-33,41-45H,8-17H2,1-6H3,(H,46,47)(H,48,49)/t19-,20+,21-,22+,23-,24-,25-,26-,27-,28+,29-,30?,32?,33+,36+,37-,38+,39+,40+/m0/s1", + "name": "Pfaffoside A", + "names": [ + "Pfaffoside A" + ] + }, + { + "compound_id": "C08967", + "inchi": "InChI=1S/C65H104O31/c1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7/h9,17-18,25,27-52,54-59,66-82H,10-16,19-24H2,1-8H3,(H,83,84)/t25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51?,52?,54+,55?,56?,57+,58-,59-,61+,62-,63+,64+,65+/m0/s1", + "name": "Phaseoloside D", + "names": [ + "Phaseoloside D" + ] + }, + { + "compound_id": "C08968", + "inchi": "InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1", + "name": "Phytolaccoside B", + "names": [ + "Esculentoside B", + "Phytolaccoside B" + ] + }, + { + "compound_id": "C08969", + "inchi": "InChI=1S/C41H68O13/c1-19-31(54-34-29(47)27(45)22(43)17-51-34)28(46)30(48)35(52-19)53-26-12-13-38(6)23(37(26,4)5)11-14-39(7)24(38)10-9-20-21-15-36(2,3)32(49)33(50)41(21,18-42)16-25(44)40(20,39)8/h9,19,21-35,42-50H,10-18H2,1-8H3/t19-,21-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,38-,39+,40-,41-/m0/s1", + "name": "Pittoside A", + "names": [ + "Pittoside A" + ] + }, + { + "compound_id": "C08970", + "inchi": "InChI=1S/C54H88O23/c1-22-30(58)33(61)36(64)44(70-22)76-41-35(63)32(60)24(20-56)72-46(41)74-39-38(66)40(43(67)68)75-47(42(39)77-45-37(65)34(62)31(59)23(19-55)71-45)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,50-,51+,52-,53+,54-/m0/s1", + "name": "Primulasaponin", + "names": [ + "Primulasaponin" + ] + }, + { + "compound_id": "C08971", + "inchi": "InChI=1S/C30H44O5/c1-25(2)15-18-17-14-19(31)23-27(5)10-9-21(32)26(3,4)20(27)8-11-29(23,7)28(17,6)12-13-30(18,24(34)35)16-22(25)33/h14,18-20,23,31H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,19+,20-,23+,27-,28+,29+,30+/m0/s1", + "name": "Propapyriogenin A2", + "names": [ + "Propapyriogenin A2" + ] + }, + { + "compound_id": "C08972", + "inchi": "InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1", + "name": "Quillaic acid", + "names": [ + "Quillaic acid" + ] + }, + { + "compound_id": "C08973", + "inchi": "InChI=1S/C54H88O26S/c1-49(2)14-16-54(17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(80-81(69,70)71)50(3,4)29(51)10-13-53(30,52)7)48(68)79-46-42(67)38(63)35(60)28(77-46)22-73-47-43(39(64)33(58)26(20-56)75-47)78-45-41(66)37(62)34(59)27(76-45)21-72-44-40(65)36(61)32(57)25(19-55)74-44/h8,24-47,55-67H,9-22H2,1-7H3,(H,69,70,71)/p-1/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43?,44+,45?,46-,47+,51-,52+,53+,54-/m0/s1", + "name": "Rotundioside B", + "names": [ + "Rotundioside B" + ] + }, + { + "compound_id": "C08974", + "inchi": "InChI=1S/C16H14O5/c1-19-10-3-4-11(12(17)7-10)15-6-9-5-13(18)16(20-2)8-14(9)21-15/h3-8,17-18H,1-2H3", + "name": "Sainfuran", + "names": [ + "Sainfuran" + ] + }, + { + "compound_id": "C08975", + "inchi": "InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1", + "name": "Saikosaponin A", + "names": [ + "Saikosaponin A" + ] + }, + { + "compound_id": "C08976", + "inchi": "InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39?,40+,41?,42-,45-,46+,47+,48+/m0/s1", + "name": "Saikosaponin BK1", + "names": [ + "Saikosaponin BK1" + ] + }, + { + "compound_id": "C08977", + "inchi": "InChI=1S/C87H138O49/c1-28-42(94)49(101)55(107)73(120-28)134-68-65(130-79-66(132-75-57(109)51(103)46(98)36(22-89)124-75)48(100)38(26-119-79)126-71-53(105)43(95)33(92)24-117-71)61(113)78(135-69(68)70(114)115)127-41-13-14-83(6)39(84(41,7)27-91)12-15-86(9)40(83)11-10-31-32-20-82(4,5)16-18-87(32,19-17-85(31,86)8)81(116)136-77-60(112)64(63(30(3)121-77)129-72-54(106)44(96)34(93)25-118-72)131-80-67(133-76-58(110)52(104)47(99)37(23-90)125-76)59(111)62(29(2)122-80)128-74-56(108)50(102)45(97)35(21-88)123-74/h10,27-30,32-69,71-80,88-90,92-113H,11-26H2,1-9H3,(H,114,115)/t28-,29-,30+,32-,33-,34+,35+,36+,37+,38?,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62?,63-,64?,65+,66?,67+,68?,69-,71?,72-,73?,74?,75?,76-,77-,78+,79-,80?,83-,84+,85+,86+,87-/m0/s1", + "name": "Saponoside D", + "names": [ + "Saponoside D" + ] + }, + { + "compound_id": "C08978", + "inchi": "InChI=1S/C70H104O32/c1-29-54(99-58-49(82)45(78)39(27-92-58)97-60-50(83)46(79)43(76)37(25-71)95-60)48(81)52(85)59(93-29)100-56-53(86)55(98-42(75)15-11-31-10-13-35(90-8)36(22-31)91-9)30(2)94-62(56)102-64(89)69-19-18-65(3,4)23-33(69)32-12-14-40-66(5)24-34(74)57(101-61-51(84)47(80)44(77)38(26-72)96-61)68(7,63(87)88)41(66)16-17-67(40,6)70(32,28-73)21-20-69/h10-13,15,22,29-30,33-34,37-41,43-62,71-74,76-86H,14,16-21,23-28H2,1-9H3,(H,87,88)/b15-11+/t29-,30+,33-,34-,37+,38+,39?,40+,41+,43-,44+,45-,46-,47-,48-,49+,50+,51+,52+,53-,54?,55-,56+,57-,58?,59-,60?,61-,62-,66+,67+,68-,69-,70-/m0/s1", + "name": "Senegin II", + "names": [ + "Senegin II" + ] + }, + { + "compound_id": "C08979", + "inchi": "InChI=1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1", + "name": "Toxol", + "names": [ + "Toxol" + ] + }, + { + "compound_id": "C08980", + "inchi": "InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1", + "name": "Soyasapogenol B", + "names": [ + "24-Hydroxysophoradiol", + "Soyasapogenol B" + ] + }, + { + "compound_id": "C08981", + "inchi": "InChI=1S/C18H20O4/c1-6-11(4)18(20)22-17-14-9-13(12(5)19)7-8-15(14)21-16(17)10(2)3/h6-9,16-17H,2H2,1,3-5H3/b11-6-/t16-,17+/m0/s1", + "name": "Toxyl angelate", + "names": [ + "Toxyl angelate" + ] + }, + { + "compound_id": "C08982", + "inchi": "InChI=1S/C59H96O29/c1-54(2)16-23-22-8-9-29-56(4)12-11-30(83-53-45(38(72)37(71)43(85-53)48(77)78)87-52-44(36(70)33(67)27(19-62)82-52)86-51-40(74)35(69)32(66)26(18-61)81-51)57(5,21-63)28(56)10-13-59(29,7)58(22,6)15-14-55(23,3)47(46(54)76)88-49-41(75)42(24(64)20-79-49)84-50-39(73)34(68)31(65)25(17-60)80-50/h8,23-47,49-53,60-76H,9-21H2,1-7H3,(H,77,78)/t23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44?,45?,46-,47+,49-,50-,51?,52?,53+,55+,56-,57+,58+,59+/m0/s1", + "name": "Soyasaponin A1", + "names": [ + "Soyasaponin A1" + ] + }, + { + "compound_id": "C08983", + "inchi": "InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37?,38?,40?,41?,42+,44+,45-,46+,47+,48+/m0/s1", + "name": "Soyasaponin I", + "names": [ + "Soyasaponin I" + ] + }, + { + "compound_id": "C08984", + "inchi": "InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1", + "name": "Spinasaponin A", + "names": [ + "Spinasaponin A" + ] + }, + { + "compound_id": "C08985", + "inchi": "InChI=1S/C42H70O14/c1-20(2)7-8-22(45)21(3)29-23(46)15-40(6)27-10-9-26-38(4,19-53-36-34(51)32(49)30(47)24(16-43)54-36)28(56-37-35(52)33(50)31(48)25(17-44)55-37)11-12-41(26)18-42(27,41)14-13-39(29,40)5/h7,21-37,43-52H,8-19H2,1-6H3/t21-,22+,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42+/m1/s1", + "name": "Thalicoside A", + "names": [ + "Thalicoside A" + ] + }, + { + "compound_id": "C08986", + "inchi": "InChI=1S/C59H92O27/c1-10-24(2)49(76)86-46-47(79-25(3)63)59(23-62)27(17-54(46,4)5)26-11-12-32-55(6)15-14-34(56(7,22-61)31(55)13-16-57(32,8)58(26,9)18-33(59)66)81-53-45(85-52-44(36(68)29(65)21-78-52)84-50-39(71)35(67)28(64)20-77-50)42(41(73)43(83-53)48(74)75)82-51-40(72)38(70)37(69)30(19-60)80-51/h10-11,27-47,50-53,60-62,64-73H,12-23H2,1-9H3,(H,74,75)/b24-10-/t27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44?,45?,46-,47-,50?,51-,52?,53+,55-,56-,57+,58+,59-/m0/s1", + "name": "Theasaponin", + "names": [ + "Theasaponin" + ] + }, + { + "compound_id": "C08987", + "inchi": "InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32+,33-,34+,35+,38-,39-,40+,41-,42-,43+,44+,45+,46-,47?,48?,49?,50-,51?,52?,53?,54-,55-,58-,59-,60-,61+,62+,63?/m0/s1", + "name": "Tubeimoside I", + "names": [ + "Tubeimoside I" + ] + }, + { + "compound_id": "C08988", + "inchi": "InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1", + "name": "Ursolic acid", + "names": [ + "Ursolic acid" + ] + }, + { + "compound_id": "C08989", + "inchi": "InChI=1S/C59H96O27/c1-22-33(65)36(68)40(72)49(78-22)83-45-28(63)20-77-48(43(45)75)82-44-24(3)80-50(42(74)39(44)71)84-46-38(70)34(66)23(2)79-52(46)86-53(76)59-15-14-54(4,5)16-26(59)25-10-11-31-55(6)17-27(62)47(85-51-41(73)37(69)35(67)29(19-60)81-51)56(7,21-61)30(55)12-13-57(31,8)58(25,9)18-32(59)64/h10,22-24,26-52,60-75H,11-21H2,1-9H3/t22-,23+,24-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41+,42+,43+,44?,45-,46+,47-,48?,49-,50-,51-,52-,55-,56-,57+,58+,59?/m0/s1", + "name": "Virgaureasaponin I", + "names": [ + "Virgaureasaponin I" + ] + }, + { + "compound_id": "C08990", + "inchi": "InChI=1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,39-,40-,41+,42+,43-/m0/s1", + "name": "Yiamoloside B", + "names": [ + "Yiamoloside B" + ] + }, + { + "compound_id": "C08991", + "inchi": "InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)40(64-26(5)52)35(55)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)67-43-38(58)36(56)30(20-60-43)66-44-39(59)37(57)34(54)24(3)62-44/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3/t24-,25-,28-,29+,30?,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44?,45?,47-,48+,49-,50-,51-/m0/s1", + "name": "Ziziphin", + "names": [ + "Ziziphin" + ] + }, + { + "compound_id": "C08992", + "inchi": "InChI=1S/C13H14O2/c1-8(2)13-7-11-6-10(9(3)14)4-5-12(11)15-13/h4-6,13H,1,7H2,2-3H3/t13-/m1/s1", + "name": "Tremetone", + "names": [ + "Tremetone" + ] + }, + { + "compound_id": "C08993", + "inchi": "InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3", + "name": "Vignafuran", + "names": [ + "Vignafuran" + ] + }, + { + "compound_id": "C08994", + "inchi": "InChI=1S/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16+,17-,19+/m1/s1", + "name": "Aloesin", + "names": [ + "Aloesin" + ] + }, + { + "compound_id": "C08995", + "inchi": "InChI=1S/C31H24O10/c1-12-6-17(32)25-21(40-12)9-14-8-20(38-4)27(30(39-5)22(14)28(25)35)24-16-10-15(37-3)11-19(34)23(16)29(36)26-18(33)7-13(2)41-31(24)26/h6-11,34-36H,1-5H3", + "name": "Aurasperone D", + "names": [ + "Aurasperone D" + ] + }, + { + "compound_id": "C08996", + "inchi": "InChI=1S/C16H18O9/c1-5-2-6(18)10-8(24-5)3-7(19)11(13(10)21)16-15(23)14(22)12(20)9(4-17)25-16/h2-3,9,12,14-17,19-23H,4H2,1H3/t9-,12-,14+,15-,16+/m1/s1", + "name": "Biflorin", + "names": [ + "Biflorin" + ] + }, + { + "compound_id": "C08997", + "inchi": "InChI=1S/C26H30O8/c1-7-8-17(28)19-22(31)15(21(30)14-9-10-26(4,5)34-25(14)19)11-16-23(32)18(13(3)27)20(29)12(2)24(16)33-6/h9-10,29-32H,7-8,11H2,1-6H3", + "name": "Butyrylmallotochromene", + "names": [ + "1-Butanone, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-", + "Butyrylmallotochromene" + ] + }, + { + "compound_id": "C08998", + "inchi": "InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3", + "name": "Cannabichromene", + "names": [ + "Cannabichromene" + ] + }, + { + "compound_id": "C08999", + "inchi": "InChI=1S/C16H12O7/c1-21-16-11(19)6-12-14(15(16)20)10(18)7-13(23-12)22-9-4-2-8(17)3-5-9/h2-7,17,19-20H,1H3", + "name": "Capillarisin", + "names": [ + "Capillarisin" + ] + }, + { + "compound_id": "C09000", + "inchi": "InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1", + "name": "Cimifugin", + "names": [ + "Cimifugin" + ] + }, + { + "compound_id": "C09001", + "inchi": "InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H", + "name": "5,7-Dihydroxychromone", + "names": [ + "5,7-Dihydroxychromone" + ] + }, + { + "compound_id": "C09002", + "inchi": "InChI=1S/C20H22O4/c1-11(2)6-7-14-18-13(8-9-20(4,5)24-18)17(22)16-15(21)10-12(3)23-19(14)16/h6,8-10,22H,7H2,1-5H3", + "name": "8-(3,3-Dimethylallyl)spatheliachromene", + "names": [ + "8-(3,3-Dimethylallyl)spatheliachromene" + ] + }, + { + "compound_id": "C09003", + "inchi": "InChI=1S/C17H20O3/c1-11(2)5-6-12-9-14(16(18)19)10-13-7-8-17(3,4)20-15(12)13/h5,7-10H,6H2,1-4H3,(H,18,19)", + "name": "2,2-Dimethyl-8-prenylchromene 6-carboxylic acid", + "names": [ + "2,2-Dimethyl-8-prenylchromene 6-carboxylic acid" + ] + }, + { + "compound_id": "C09004", + "inchi": "InChI=1S/C26H30O8/c1-7-15(27)17-20(30)13(19(29)12-9-10-25(3,4)34-22(12)17)11-14-21(31)18(16(28)8-2)24(33)26(5,6)23(14)32/h9-10,29-30,32-33H,7-8,11H2,1-6H3", + "name": "Drummondin A", + "names": [ + "Drummondin A" + ] + }, + { + "compound_id": "C09005", + "inchi": "InChI=1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3", + "name": "Encecalin", + "names": [ + "1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone", + "Encecalin" + ] + }, + { + "compound_id": "C09006", + "inchi": "InChI=1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3", + "name": "Eupatoriochromene", + "names": [ + "1-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone", + "Eupatoriochromene" + ] + }, + { + "compound_id": "C09007", + "inchi": "InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2", + "name": "Flindersiachromone", + "names": [ + "2-(2-Phenylethyl)chromone", + "Flindersiachromone" + ] + }, + { + "compound_id": "C09008", + "inchi": "InChI=1S/C16H8O4/c17-14-9-5-1-3-7-11(9)19-15-10-6-2-4-8-12(10)20-16(18)13(14)15/h1-8H", + "name": "Frutinone A", + "names": [ + "Frutinone A" + ] + }, + { + "compound_id": "C09009", + "inchi": "InChI=1S/C26H30O8/c1-11(2)19(28)18-22(31)15(21(30)14-8-9-26(5,6)34-25(14)18)10-16-23(32)17(13(4)27)20(29)12(3)24(16)33-7/h8-9,11,29-32H,10H2,1-7H3", + "name": "Isobutyrylmallotochromene", + "names": [ + "Isobutyrylmallotochromene" + ] + }, + { + "compound_id": "C09010", + "inchi": "InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3", + "name": "Khellin", + "names": [ + "Khellin" + ] + }, + { + "compound_id": "C09011", + "inchi": "InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1", + "name": "Khellol glucoside", + "names": [ + "Khellol glucoside", + "Khelloside" + ] + }, + { + "compound_id": "C09012", + "inchi": "InChI=1S/C11H10O4/c1-2-6-5-15-9-4-7(12)3-8(13)10(9)11(6)14/h3-5,12-13H,2H2,1H3", + "name": "Lathodoratin", + "names": [ + "Lathodoratin" + ] + }, + { + "compound_id": "C09013", + "inchi": "InChI=1S/C24H26O8/c1-10-18(27)16(11(2)25)21(30)15(22(10)31-6)9-14-19(28)13-7-8-24(4,5)32-23(13)17(12(3)26)20(14)29/h7-8,27-30H,9H2,1-6H3", + "name": "Mallotochromene", + "names": [ + "Mallotochromene" + ] + }, + { + "compound_id": "C09014", + "inchi": "InChI=1S/C16H16O4/c1-9-7-11(17)14-13(18-4)8-12-10(15(14)19-9)5-6-16(2,3)20-12/h5-8H,1-4H3", + "name": "5-O-Methylalloptaeroxylin", + "names": [ + "5-O-Methylalloptaeroxylin", + "Perforatin A" + ] + }, + { + "compound_id": "C09015", + "inchi": "InChI=1S/C15H18O4/c1-9(16)11-8-10-6-7-15(2,3)19-12(10)14(18-5)13(11)17-4/h6-8H,1-5H3", + "name": "Methylripariochromene A", + "names": [ + "Methylripariochromene A" + ] + }, + { + "compound_id": "C09016", + "inchi": "InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1", + "name": "5-O-Methylvisamminol", + "names": [ + "5-O-Methylvisamminol" + ] + }, + { + "compound_id": "C09017", + "inchi": "InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3", + "name": "Precocene I", + "names": [ + "Precocene 1", + "Precocene I" + ] + }, + { + "compound_id": "C09018", + "inchi": "InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3", + "name": "Precocene II", + "names": [ + "Precocene 2", + "Precocene II" + ] + }, + { + "compound_id": "C09019", + "inchi": "InChI=1S/C21H26N2O2/c1-15(24)23-17-6-3-2-5-16(17)20-10-13-22-12-4-8-19(9-7-18(20)23)11-14-25-21(19,20)22/h2-3,5-6,18H,4,7-14H2,1H3/t18-,19-,20-,21+/m1/s1", + "name": "1-Acetylaspidoalbidine", + "names": [ + "1-Acetylaspidoalbidine" + ] + }, + { + "compound_id": "C09020", + "inchi": "InChI=1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)/t9-,12-,18-,22+/m1/s1", + "name": "Adifoline", + "names": [ + "Adifoline" + ] + }, + { + "compound_id": "C09021", + "inchi": "InChI=1S/C20H24N2O2/c1-3-12-10-22(2)18-8-15-13-6-4-5-7-17(13)21-20(15)19(24)9-14(12)16(18)11-23/h3-7,14,16,18,21,23H,8-11H2,1-2H3/b12-3-/t14-,16+,18-/m1/s1", + "name": "Affinine", + "names": [ + "17-Hydroxyvobasan-3-one", + "Affinine" + ] + }, + { + "compound_id": "C09022", + "inchi": "InChI=1S/C20H24N2O/c1-3-12-10-22-18-9-15-13-6-4-5-7-17(13)21(2)20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,23H,8-11H2,1-2H3/b12-3-/t14?,16-,18+,19+/m1/s1", + "name": "Affinisine", + "names": [ + "Affinisine" + ] + }, + { + "compound_id": "C09023", + "inchi": "InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1", + "name": "Agroclavine", + "names": [ + "Agroclavine" + ] + }, + { + "compound_id": "C09024", + "inchi": "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1", + "name": "Ajmalicine", + "names": [ + "Ajmalicine", + "Raubasine" + ] + }, + { + "compound_id": "C09025", + "inchi": "InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16-,20+/m0/s1", + "name": "Akuammicine", + "names": [ + "Akuammicine" + ] + }, + { + "compound_id": "C09026", + "inchi": "InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15?,17-,18-,21-/m0/s1", + "name": "Akuammidine", + "names": [ + "Akuammidine", + "Rhazin" + ] + }, + { + "compound_id": "C09027", + "inchi": "InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15-,18+,20+,21?,22-/m1/s1", + "name": "Akuammine", + "names": [ + "Akuammine" + ] + }, + { + "compound_id": "C09028", + "inchi": "InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1", + "name": "Alstonine", + "names": [ + "Alstonine" + ] + }, + { + "compound_id": "C09029", + "inchi": "InChI=1S/C15H14O5/c1-15(2)4-3-9-12(20-15)6-11(18)13-10(17)5-8(7-16)19-14(9)13/h3-6,16,18H,7H2,1-2H3", + "name": "Ptaerochromenol", + "names": [ + "Ptaerochromenol" + ] + }, + { + "compound_id": "C09030", + "inchi": "InChI=1S/C15H14O6/c1-8-4-10(17)13-12(21-8)5-11-9(14(13)18)2-3-15(19,6-16)7-20-11/h2-5,16,18-19H,6-7H2,1H3", + "name": "Ptaeroglycol", + "names": [ + "Ptaeroglycol" + ] + }, + { + "compound_id": "C09031", + "inchi": "InChI=1S/C20H22O4/c1-12(2)5-6-15-18-13(7-8-20(3,4)24-18)9-16-17(22)10-14(11-21)23-19(15)16/h5,7-10,21H,6,11H2,1-4H3", + "name": "Pulverochromenol", + "names": [ + "Pulverochromenol" + ] + }, + { + "compound_id": "C09032", + "inchi": "InChI=1S/C20H15N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,9-11,22H,1,7-8H2", + "name": "Angustine", + "names": [ + "Angustine" + ] + }, + { + "compound_id": "C09033", + "inchi": "InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1", + "name": "Antirhine", + "names": [ + "Antirhine" + ] + }, + { + "compound_id": "C09034", + "inchi": "InChI=1S/C21H22N2O4/c1-26-18(25)12-10-20-11-16(24)27-15(20)6-8-23-9-7-21(19(20)23)13-4-2-3-5-14(13)22-17(12)21/h2-5,15,19,22H,6-11H2,1H3/t15-,19-,20-,21-/m0/s1", + "name": "Apodine", + "names": [ + "Apodine" + ] + }, + { + "compound_id": "C09035", + "inchi": "InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1", + "name": "Apovincamine", + "names": [ + "Apovincamine" + ] + }, + { + "compound_id": "C09036", + "inchi": "InChI=1S/C18H20N2/c1-3-13-10-20-9-8-14(13)12(2)18-16(11-20)15-6-4-5-7-17(15)19-18/h3-7,14,19H,2,8-11H2,1H3/b13-3-/t14-/m1/s1", + "name": "(-)-Apparicine", + "names": [ + "(-)-Apparicine" + ] + }, + { + "compound_id": "C09037", + "inchi": "InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17-,20-/m0/s1", + "name": "Aricine", + "names": [ + "Aricine" + ] + }, + { + "compound_id": "C09038", + "inchi": "InChI=1S/C24H32N2O5/c1-4-18(27)26-17-6-8-22-7-5-11-25-12-9-23(17,24(22,25)31-13-10-22)15-14-16(29-2)21(30-3)20(28)19(15)26/h14,17,28H,4-13H2,1-3H3/t17-,22-,23-,24+/m1/s1", + "name": "Aspidoalbine", + "names": [ + "Aspidoalbine" + ] + }, + { + "compound_id": "C09039", + "inchi": "InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+/t15-,17+,19+,20+,21?/m1/s1", + "name": "Aspidodasycarpine", + "names": [ + "Aspidodasycarpine" + ] + }, + { + "compound_id": "C09040", + "inchi": "InChI=1S/C22H26N2O3/c1-27-18(26)16-13-20-7-4-11-23-12-10-21(19(20)23)15-5-2-3-6-17(15)24(14-25)22(16,21)9-8-20/h2-3,5-6,14,16,19H,4,7-13H2,1H3/t16-,19-,20+,21+,22+/m0/s1", + "name": "Aspidofractine", + "names": [ + "Aspidofractine" + ] + }, + { + "compound_id": "C09041", + "inchi": "InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+/t14-,18-,20-,21-/m1/s1", + "name": "Aspidospermatine", + "names": [ + "Aspidospermatine" + ] + }, + { + "compound_id": "C09042", + "inchi": "InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1", + "name": "Aspidospermine", + "names": [ + "Aspidospermine" + ] + }, + { + "compound_id": "C09043", + "inchi": "InChI=1S/C33H42N4/c1-21-19-25-28(31(2,3)20-21)29(30-23(15-17-36(4)5)22-11-7-9-13-26(22)34-30)32-16-18-37(6)33(25,32)35-27-14-10-8-12-24(27)32/h7-14,19,25,28-29,34-35H,15-18,20H2,1-6H3/t25-,28-,29-,32+,33+/m0/s1", + "name": "Auricularine", + "names": [ + "Auricularine" + ] + }, + { + "compound_id": "C09044", + "inchi": "InChI=1S/C16H14O5/c1-7-4-10(17)15-13(21-7)5-9-8(2)12(20-3)6-11(18)14(9)16(15)19/h4-6,18-19H,1-3H3", + "name": "Quinquangulin", + "names": [ + "Quinquangulin" + ] + }, + { + "compound_id": "C09045", + "inchi": "InChI=1S/C21H24N2O4/c1-12(24)20-9-13(25)11-23-8-7-21(19(20)23)15-5-3-4-6-16(15)22-17(21)14(10-20)18(26)27-2/h3-6,12,19,22,24H,7-11H2,1-2H3/t12-,19-,20-,21-/m0/s1", + "name": "Baloxine", + "names": [ + "Baloxine" + ] + }, + { + "compound_id": "C09046", + "inchi": "InChI=1S/C23H24N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h5-6,8-9,11-12,14,16H,7,10H2,1-4H3/t12-,14-,16-/m0/s1", + "name": "Bleekerine", + "names": [ + "Bleekerine" + ] + }, + { + "compound_id": "C09047", + "inchi": "InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3", + "name": "Rubrofusarin", + "names": [ + "Rubrofusarin" + ] + }, + { + "compound_id": "C09048", + "inchi": "InChI=1S/C20H20O4/c1-11-10-14(21)15-17(22-11)12-6-8-19(2,3)23-16(12)13-7-9-20(4,5)24-18(13)15/h6-10H,1-5H3", + "name": "Spathelia bischromene", + "names": [ + "2,2,6,6,10-Pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one", + "Spathelia bischromene" + ] + }, + { + "compound_id": "C09049", + "inchi": "InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3", + "name": "Visnagin", + "names": [ + "Visnagin" + ] + }, + { + "compound_id": "C09050", + "inchi": "InChI=1S/C35H40N4O3/c1-3-20-16-19-17-35(34(41)42-2)32-24(13-15-38(18-19)33(20)35)22-8-11-28(40)29(30(22)37-32)27-10-9-25-31-23(12-14-36-25)21-6-4-5-7-26(21)39(27)31/h4-8,11,19-20,25,27,33,36-37,40H,3,9-10,12-18H2,1-2H3/t19-,20-,25+,27+,33-,35+/m0/s1", + "name": "Bonafousine", + "names": [ + "Bonafousine" + ] + }, + { + "compound_id": "C09051", + "inchi": "InChI=1S/C20H24N2O/c1-5-20(4)11-14(10-13(2)3)22-19(20)18(23)16-12-21-17-9-7-6-8-15(16)17/h5-10,12,14,19,21-22H,1,11H2,2-4H3/t14-,19+,20+/m1/s1", + "name": "Borrecapine", + "names": [ + "Borrecapine" + ] + }, + { + "compound_id": "C09052", + "inchi": "InChI=1S/C17H18N2O/c1-4-17(3)9-11(2)19-16(17)15(20)13-10-18-14-8-6-5-7-12(13)14/h4-8,10,16,18H,1,9H2,2-3H3/t16-,17+/m1/s1", + "name": "Borreline", + "names": [ + "Borreline" + ] + }, + { + "compound_id": "C09053", + "inchi": "InChI=1S/C16H14O4/c1-9(2)3-4-10-11-5-6-13(17)20-16(11)14(18)15-12(10)7-8-19-15/h3,5-8,18H,4H2,1-2H3", + "name": "Alloimperatorin", + "names": [ + "Alloimperatorin" + ] + }, + { + "compound_id": "C09054", + "inchi": "InChI=1S/C16H20N2/c1-11(2)10-15-16-13(8-9-18(15)3)12-6-4-5-7-14(12)17-16/h4-7,10,15,17H,8-9H2,1-3H3", + "name": "Borrerine", + "names": [ + "Borrerine" + ] + }, + { + "compound_id": "C09055", + "inchi": "InChI=1S/C24H28O9/c1-13-19(27)20(32-15(3)26)24(12-30-14(2)25)18(5-4-7-22(24)11-31-22)23(13)9-17(33-21(23)28)16-6-8-29-10-16/h6,8,10,13,17-18,20H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,20+,22+,23-,24+/m1/s1", + "name": "6-Acetylpicropolin", + "names": [ + "6-Acetylpicropolin" + ] + }, + { + "compound_id": "C09056", + "inchi": "InChI=1S/C24H30O4/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-13-21-23(26)20-14-12-19(25)15-22(20)28-24(21)27/h7,9,11-12,14-15,25-26H,5-6,8,10,13H2,1-4H3/b17-9+,18-11+", + "name": "Ammoresinol", + "names": [ + "Ammoresinol" + ] + }, + { + "compound_id": "C09057", + "inchi": "InChI=1S/C20H32O2/c1-12-6-10-16(13(2)8-11-17-20(4,5)22-17)19(21)18-14(3)7-9-15(12)18/h7,13,16-19,21H,6,8-11H2,1-5H3/t13-,16+,17?,18-,19-/m1/s1", + "name": "Acutilol A", + "names": [ + "Acutilol A" + ] + }, + { + "compound_id": "C09058", + "inchi": "InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1", + "name": "Ajugarin I", + "names": [ + "Ajugarin I" + ] + }, + { + "compound_id": "C09059", + "inchi": "InChI=1/C21H24O7/c1-10-8-14(27-19(10)23)25-9-13-15-17(26-11(2)22)12-6-5-7-21(3,4)16(12)18(15)28-20(13)24/h8-9,14-15,17-18H,5-7H2,1-4H3/b13-9+/t14-,15-,17+,18-/m1/s1", + "name": "Alectrol", + "names": [ + "Alectrol" + ] + }, + { + "compound_id": "C09060", + "inchi": "InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H", + "name": "Angelicin", + "names": [ + "Angelicin", + "Isopsoralen" + ] + }, + { + "compound_id": "C09061", + "inchi": "InChI=1S/C18H20O3/c1-10-4-3-5-12-13-6-7-18(21)9-17(13,8-11(18)2)15(14(10)12)16(19)20/h3-5,13,15,21H,2,6-9H2,1H3,(H,19,20)/t13-,15-,17+,18+/m1/s1", + "name": "Allogibberic acid", + "names": [ + "Allogibberic acid" + ] + }, + { + "compound_id": "C09062", + "inchi": "InChI=1S/C19H22O6/c1-8-9-3-5-18(14(8)21)10(7-9)12(15(22)23)13-17(2)11(20)4-6-19(13,18)25-16(17)24/h7,9,11-14,20-21H,1,3-6H2,2H3,(H,22,23)/t9-,11+,12-,13-,14+,17-,18-,19+/m1/s1", + "name": "Antheridic acid", + "names": [ + "Antheridic acid", + "Antheridiogen-An" + ] + }, + { + "compound_id": "C09063", + "inchi": "InChI=1S/C23H36O6/c1-6-18(26)29-19-14-8-7-13-12(2)15-9-16(24)20(3,4)23(15,28)17(25)10-22(13,19)11-21(14,5)27/h13-17,19,24-25,27-28H,2,6-11H2,1,3-5H3/t13-,14+,15-,16-,17+,19-,21+,22-,23-/m0/s1", + "name": "Asebotoxin II", + "names": [ + "Asebotoxin II" + ] + }, + { + "compound_id": "C09064", + "inchi": "InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1", + "name": "Atractyloside", + "names": [ + "Atractyloside" + ] + }, + { + "compound_id": "C09065", + "inchi": "InChI=1S/C32H50O8/c1-6-7-8-9-10-11-12-13-14-15-22(34)39-30-17-20(3)31(37)21-16-19(2)25(35)32(21,38)27(36)29(18-33)26(40-29)23(31)24(30)28(30,4)5/h16,20-21,23-24,26-27,33,36-38H,6-15,17-18H2,1-5H3/t20-,21+,23-,24-,26+,27-,29+,30+,31+,32-/m1/s1", + "name": "Baliospermin", + "names": [ + "Baliospermin" + ] + }, + { + "compound_id": "C09066", + "inchi": "InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1", + "name": "Cafestol", + "names": [ + "Cafestol" + ] + }, + { + "compound_id": "C09067", + "inchi": "InChI=1S/C20H28O4/c1-17(2)7-6-8-19(5)13(17)9-12(21)11-10-20(18(3,4)23)16(24-20)15(22)14(11)19/h13,16,23H,6-10H2,1-5H3/t13-,16?,19-,20?/m0/s1", + "name": "Callicarpone", + "names": [ + "Callicarpone" + ] + }, + { + "compound_id": "C09068", + "inchi": "InChI=1S/C35H44O9/c1-7-20(2)31(39)43-19-32(6)29-26-14-25(18-42-23(5)36)17-33(40)27(13-21(3)30(33)38)35(26,41)22(4)16-34(29,32)44-28(37)15-24-11-9-8-10-12-24/h8-14,20,22,26-27,29,40-41H,7,15-19H2,1-6H3/t20?,22-,26+,27-,29-,32-,33-,34+,35-/m1/s1", + "name": "Candletoxin A", + "names": [ + "Candletoxin A" + ] + }, + { + "compound_id": "C09069", + "inchi": "InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1", + "name": "Carnosol", + "names": [ + "Carnosol" + ] + }, + { + "compound_id": "C09070", + "inchi": "InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26-/m1/s1", + "name": "Caryoptin", + "names": [ + "Caryoptin" + ] + }, + { + "compound_id": "C09071", + "inchi": "InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16?,17-,18+,19-,20-,21+,22-/m1/s1", + "name": "Cascarillin", + "names": [ + "Cascarillin" + ] + }, + { + "compound_id": "C09072", + "inchi": "InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20-/m1/s1", + "name": "2,7,11-Cembratrien-4,6-diol", + "names": [ + "2,7,11-Cembratrien-4,6-diol" + ] + }, + { + "compound_id": "C09073", + "inchi": "InChI=1S/C20H22O7/c1-18-7-11(9-4-6-24-8-9)25-16(21)10(18)3-5-19(2)14(18)12-13-15(26-13)20(19,23)17(22)27-12/h4,6,8,10-15,23H,3,5,7H2,1-2H3/t10-,11+,12+,13-,14-,15-,18+,19+,20-/m0/s1", + "name": "Chasmanthin", + "names": [ + "Chasmanthin" + ] + }, + { + "compound_id": "C09074", + "inchi": "InChI=1S/C31H42O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-11,20-26,35H,8,12-15H2,1-7H3/t20-,21-,22-,23+,24+,25+,26+,28-,29+,30+,31-/m1/s1", + "name": "Clerodendrin A", + "names": [ + "Clerodendrin A" + ] + }, + { + "compound_id": "C09075", + "inchi": "InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1", + "name": "Clerodin", + "names": [ + "3-Deoxycaryoptinol", + "Clerodin" + ] + }, + { + "compound_id": "C09076", + "inchi": "InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1", + "name": "Coleonol", + "names": [ + "Coleonol", + "Colforsin", + "Forskolin" + ] + }, + { + "compound_id": "C09077", + "inchi": "InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1", + "name": "Columbin", + "names": [ + "Columbin" + ] + }, + { + "compound_id": "C09078", + "inchi": "InChI=1S/C33H54O11/c1-17(2)19-8-10-31(4)12-21-20(9-11-33(21,38)16-40-7)18(3)25(35)29(24(19)31)43-30-27(37)26(36)28(22(42-30)13-39-6)44-32(5,15-34)23-14-41-23/h12,17-18,20,22-23,25-30,34-38H,8-11,13-16H2,1-7H3/b21-12+/t18-,20+,22-,23+,25-,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1", + "name": "Cotylenin F", + "names": [ + "Cotylenin F" + ] + }, + { + "compound_id": "C09079", + "inchi": "InChI=1S/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-16,21-22H,5-8,10-11H2,1-4H3/t15-,16-,19-,20-/m1/s1", + "name": "Cyathin A3", + "names": [ + "Cyathin A3" + ] + }, + { + "compound_id": "C09080", + "inchi": "InChI=1S/C27H30O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-10,15,17-18,20-22,28,30-31H,1,11-12H2,2-4H3/t15-,17-,18-,20-,21+,22-,23-,24+,25-,26+,27+/m1/s1", + "name": "Daphnetoxin", + "names": [ + "Daphnetoxin" + ] + }, + { + "compound_id": "C09081", + "inchi": "InChI=1S/C20H28O4/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3)15(18)14(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3/t11-,12+,13+,14-,15+,16+,18+,19-,20+/m1/s1", + "name": "7beta,12alpha-Dihydroxykaurenolide", + "names": [ + "7beta,12alpha-Dihydroxykaurenolide" + ] + }, + { + "compound_id": "C09082", + "inchi": "InChI=1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24-,27-,28-,31+,32+/m0/s1", + "name": "Borreverine", + "names": [ + "Borreverine" + ] + }, + { + "compound_id": "C09083", + "inchi": "InChI=1S/C17H19N3/c1-11-17-16(12-6-3-4-7-14(12)19-17)13(10-18-11)15-8-5-9-20(15)2/h3-4,6-7,10,15,19H,5,8-9H2,1-2H3/t15-/m0/s1", + "name": "Brevicolline", + "names": [ + "Brevicolline" + ] + }, + { + "compound_id": "C09084", + "inchi": "InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1", + "name": "Brucine", + "names": [ + "Brucine" + ] + }, + { + "compound_id": "C09085", + "inchi": "InChI=1S/C40H48N4O2/c1-5-23-21-43(3)17-15-37-27-11-7-10-14-30(27)42-36-34-26-20-32-38(16-18-44(32,4)22-24(26)6-2)28-12-8-9-13-29(28)41(40(34,38)46)35(36)33(39(37,42)45)25(23)19-31(37)43/h5-14,25-26,31-36,45-46H,15-22H2,1-4H3/q+2/b23-5-,24-6-/t25-,26-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,43-,44-/m0/s1", + "name": "Calebassone", + "names": [ + "C-Calebassine", + "Calebassone" + ] + }, + { + "compound_id": "C09086", + "inchi": "InChI=1S/C27H38O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h9-10,14,16,19-21,31-32H,8,11-13H2,1-7H3/t14?,16-,19+,20-,21-,25-,26+,27-/m1/s1", + "name": "Diterpenoid EF-D", + "names": [ + "12-Deoxy-phorbol-13-alpha-methylbutyrate-20-acetate", + "Diterpenoid EF-D" + ] + }, + { + "compound_id": "C09087", + "inchi": "InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20+/m1/s1", + "name": "Diterpenoid SP-II", + "names": [ + "Diterpenoid SP-II" + ] + }, + { + "compound_id": "C09088", + "inchi": "InChI=1S/C42H48N4O5/c1-48-29-9-5-7-27-31(29)44-42-24-20-37-13-18-50-30(37)10-15-45(35(37)42)17-12-41(27,42)39(21-24)23-46-16-11-40-26-6-3-4-8-28(26)43-32(40)25(33(47)49-2)22-38(34(40)46)14-19-51-36(38)39/h3-9,24,30,34-36,43-44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38-,39+,40-,41-,42-/m0/s1", + "name": "Callichiline", + "names": [ + "Callichiline" + ] + }, + { + "compound_id": "C09089", + "inchi": "InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1", + "name": "Calligonine", + "names": [ + "Calligonine", + "Elaeagnine", + "Tetrahydroharman" + ] + }, + { + "compound_id": "C09090", + "inchi": "InChI=1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16-,19+,20-/m1/s1", + "name": "Enmein", + "names": [ + "Enmein" + ] + }, + { + "compound_id": "C09091", + "inchi": "InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-26(35)39-32-28(30(32,5)6)25-17-22(18-33)16-23-24(15-19(2)27(23)36)31(25,37)20(3)29(32)38-21(4)34/h9-15,17,20,23-25,28-29,33,37H,7-8,16,18H2,1-6H3/b10-9+,12-11+,14-13-/t20-,23+,24-,25+,28-,29-,31+,32-/m1/s1", + "name": "Euphorbia factor Ti2", + "names": [ + "Euphorbia factor Ti2" + ] + }, + { + "compound_id": "C09092", + "inchi": "InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1", + "name": "Ferruginol", + "names": [ + "Ferruginol" + ] + }, + { + "compound_id": "C09093", + "inchi": "InChI=1S/C26H42O8/c1-12(2)15-7-8-26(4)9-17-14(10-27)5-6-16(17)13(3)20(29)24(19(15)26)34-25-23(32)22(31)21(30)18(11-28)33-25/h9,12-14,16,18,20-25,27-32H,5-8,10-11H2,1-4H3/b17-9-/t13-,14-,16+,18-,20-,21-,22+,23-,24-,25-,26-/m1/s1", + "name": "Fusicoccin H", + "names": [ + "Fusicoccin H" + ] + }, + { + "compound_id": "C09094", + "inchi": "InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+", + "name": "Geranylgeraniol", + "names": [ + "2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-", + "Geranylgeraniol" + ] + }, + { + "compound_id": "C09095", + "inchi": "InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35+,36+/m1/s1", + "name": "Gnidicin", + "names": [ + "Gnidicin" + ] + }, + { + "compound_id": "C09096", + "inchi": "InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h10-19,23,25,27,29-32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1", + "name": "Gnididin", + "names": [ + "Gnididin" + ] + }, + { + "compound_id": "C09097", + "inchi": "InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21+,22+,23+/m1/s1", + "name": "Calycanthidine", + "names": [ + "Calycanthidine" + ] + }, + { + "compound_id": "C09098", + "inchi": "InChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H", + "name": "Canthin-6-one", + "names": [ + "6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one", + "Canthin-6-one" + ] + }, + { + "compound_id": "C09099", + "inchi": "InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1", + "name": "Naringenin 7-O-beta-D-glucoside", + "names": [ + "Naringenin 7-O-beta-D-glucoside", + "Prunin" + ] + }, + { + "compound_id": "C09100", + "inchi": "InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1", + "name": "Caracurine V", + "names": [ + "Caracurine V" + ] + }, + { + "compound_id": "C09101", + "inchi": "InChI=1S/C37H48O10/c1-6-7-8-9-10-11-15-18-34-45-30-26-29-33(20-38,44-29)32(41)35(42)25(19-22(4)27(35)39)37(26,47-34)23(5)28(36(30,46-34)21(2)3)43-31(40)24-16-13-12-14-17-24/h12-14,16-17,19,23,25-26,28-30,32,38,41-42H,2,6-11,15,18,20H2,1,3-5H3/t23-,25-,26+,28-,29+,30-,32-,33+,34+,35-,36+,37+/m1/s1", + "name": "Gnididilatin", + "names": [ + "Gnididilatin" + ] + }, + { + "compound_id": "C09102", + "inchi": "InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1", + "name": "Gniditrin", + "names": [ + "Gniditrin" + ] + }, + { + "compound_id": "C09103", + "inchi": "InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17+,19-,20-,21+,22+/m1/s1", + "name": "Grayanotoxin I", + "names": [ + "Grayanotoxin I" + ] + }, + { + "compound_id": "C09104", + "inchi": "InChI=1S/C19H22O6/c1-7(2)12-8-5-10-14-18(3,9(8)6-11(20)24-12)16-13(25-16)15(21)19(14,4)17(22)23-10/h6-7,10,13-16,21H,5H2,1-4H3/t10-,13+,14-,15+,16+,18-,19-/m1/s1", + "name": "Hallactone A", + "names": [ + "Hallactone A" + ] + }, + { + "compound_id": "C09105", + "inchi": "InChI=1S/C20H24O9S/c1-17-6-8-13(26-8)19(3)12(17)11(28-16(19)22)14-20(29-14)9(17)5-10(21)27-15(20)18(2,23)7-30(4,24)25/h5,8,11-15,23H,6-7H2,1-4H3/t8-,11-,12+,13-,14+,15+,17+,18-,19+,20-/m0/s1", + "name": "Hallactone B", + "names": [ + "Hallactone B" + ] + }, + { + "compound_id": "C09106", + "inchi": "InChI=1S/C23H28N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,11-14,20H,5-7,10H2,1-4H3,(H,24,27)/t12-,13-,14-,20-,23+/m0/s1", + "name": "Carapanaubine", + "names": [ + "Carapanaubine" + ] + }, + { + "compound_id": "C09107", + "inchi": "InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19-,21-/m1/s1", + "name": "Catharanthine", + "names": [ + "Catharanthine" + ] + }, + { + "compound_id": "C09108", + "inchi": "InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24-,25-,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1", + "name": "Huratoxin", + "names": [ + "Huratoxin" + ] + }, + { + "compound_id": "C09109", + "inchi": "InChI=1S/C20H30O7S/c1-17(9-10-26-28(23,24)25)7-8-20(22)13(12-17)11-14-15-18(2,16(21)27-14)5-4-6-19(15,20)3/h11,14-15,22H,4-10,12H2,1-3H3,(H,23,24,25)/p-1/t14-,15+,17-,18+,19+,20-/m1/s1", + "name": "Hymatoxin A", + "names": [ + "Hymatoxin A" + ] + }, + { + "compound_id": "C09110", + "inchi": "InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1", + "name": "Ineketone", + "names": [ + "Ineketone" + ] + }, + { + "compound_id": "C09111", + "inchi": "InChI=1S/C24H32O7/c1-11-14-7-15(27)20-23(6)18(31-13(3)26)8-17(30-12(2)25)22(4,5)19(23)16(28)10-24(20,9-14)21(11)29/h14-15,17-20,27H,1,7-10H2,2-6H3/t14-,15-,17+,18-,19-,20+,23-,24+/m1/s1", + "name": "Inflexin", + "names": [ + "Inflexin" + ] + }, + { + "compound_id": "C09112", + "inchi": "InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12?,13-,14+,15+,16-,19?,20-/m1/s1", + "name": "Ingenol", + "names": [ + "Ingenol" + ] + }, + { + "compound_id": "C09113", + "inchi": "InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24?,25-,26+,27-,29+,33?,34+/m1/s1", + "name": "Ingenol 3,20-dibenzoate", + "names": [ + "Ingenol 3,20-dibenzoate" + ] + }, + { + "compound_id": "C09114", + "inchi": "InChI=1S/C24H30O13/c1-6(32-20-12(29)11(28)10(27)7(5-25)33-20)17-24-8(4-9(26)34-17)22(2)15-13(19(24)37-24)36-21(31)23(15,3)16(30)14-18(22)35-14/h4,6-7,10-20,25,27-30H,5H2,1-3H3/t6-,7+,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20+,22+,23+,24+/m0/s1", + "name": "Inumakilactone A glycoside", + "names": [ + "Inumakilactone A glycoside" + ] + }, + { + "compound_id": "C09115", + "inchi": "InChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14+,15-,16+,17-,19+,21-,22-/m0/s1", + "name": "Isodomedin", + "names": [ + "Isodomedin" + ] + }, + { + "compound_id": "C09116", + "inchi": "InChI=1S/C24H26O7/c1-7-14(4)23(27)31-24(5,6)22-21(30-18(26)12-13(2)3)19-16(28-22)10-8-15-9-11-17(25)29-20(15)19/h7-12,21-22H,1-6H3/b14-7+/t21-,22?/m1/s1", + "name": "Archangelicin", + "names": [ + "Archangelicin" + ] + }, + { + "compound_id": "C09117", + "inchi": "InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1", + "name": "Isodonal", + "names": [ + "Isodonal" + ] + }, + { + "compound_id": "C09118", + "inchi": "InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1", + "name": "Isopimaric acid", + "names": [ + "Isopimaric acid" + ] + }, + { + "compound_id": "C09119", + "inchi": "InChI=1S/C20H26O3/c1-11-6-13-8-12(2)15(21)9-16-19(3,4)10-17(22)20(16,5)18(23)14(13)7-11/h6,8,11,14,16H,7,9-10H2,1-5H3/b12-8-/t11-,14-,16+,20-/m0/s1", + "name": "Jatrophatrione", + "names": [ + "Jatrophatrione" + ] + }, + { + "compound_id": "C09120", + "inchi": "InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6+,13-9-/t12-,20+/m0/s1", + "name": "Jatrophone", + "names": [ + "Jatrophone" + ] + }, + { + "compound_id": "C09121", + "inchi": "InChI=1S/C24H32O8/c1-12-7-19(29-13(2)25)24-17(22(12,4)18-8-15-5-6-27-20(15)32-18)9-16(10-23(24)11-28-23)31-21(24)30-14(3)26/h5-6,12,15-21H,7-11H2,1-4H3/t12-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24?/m1/s1", + "name": "Jodrellin A", + "names": [ + "Jodrellin A" + ] + }, + { + "compound_id": "C09122", + "inchi": "InChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28-,31+,32+,35-,37-,38+/m0/s1", + "name": "Kansuinine B", + "names": [ + "Kansuinine B" + ] + }, + { + "compound_id": "C09123", + "inchi": "InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1", + "name": "Athamantin", + "names": [ + "Athamantin" + ] + }, + { + "compound_id": "C09124", + "inchi": "InChI=1S/C20H32O2/c1-7-19(5,22)11-10-16-14(2)8-9-17-18(3,4)12-15(21)13-20(16,17)6/h7,16-17,22H,1-2,8-13H2,3-6H3/t16-,17-,19+,20+/m0/s1", + "name": "2-Ketoepimanool", + "names": [ + "2-Ketoepimanool" + ] + }, + { + "compound_id": "C09125", + "inchi": "InChI=1S/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,13-,14+,15-,16+,17-,20+/m0/s1", + "name": "Lathyrol", + "names": [ + "Lathyrol" + ] + }, + { + "compound_id": "C09126", + "inchi": "InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1", + "name": "Genistein 7-O-beta-D-glucoside", + "names": [ + "Genistein", + "Genistein 7-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C09127", + "inchi": "InChI=1S/C36H52O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)43-34-21-24(3)35(41)25-20-23(2)29(39)36(25,42)31(40)33(22-37)30(44-33)27(35)28(34)32(34,4)5/h14-20,24-25,27-28,30-31,37,40-42H,6-13,21-22H2,1-5H3/b15-14+,17-16+,19-18+/t24-,25+,27-,28-,30+,31-,33+,34+,35+,36-/m1/s1", + "name": "Mancinellin", + "names": [ + "Mancinellin" + ] + }, + { + "compound_id": "C09128", + "inchi": "InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1", + "name": "Marrubiin", + "names": [ + "Marrubiin" + ] + }, + { + "compound_id": "C09129", + "inchi": "InChI=1S/C46H54N4O10/c1-8-28-21-29(53)24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,25-26,38-40,47,56H,8-9,15,17-21,24H2,1-7H3/b28-25-/t38-,39+,40+,43+,44+,45-,46-/m0/s1", + "name": "Catharine", + "names": [ + "Catharine" + ] + }, + { + "compound_id": "C09130", + "inchi": "InChI=1S/C19H16N2O2/c1-23-14-6-7-17-16(11-14)15-8-9-20-18(19(15)21-17)10-12-2-4-13(22)5-3-12/h2-9,11,21-22H,10H2,1H3", + "name": "Ceceline", + "names": [ + "Ceceline" + ] + }, + { + "compound_id": "C09131", + "inchi": "InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1", + "name": "Chanoclavine-I", + "names": [ + "Chanoclavine-I" + ] + }, + { + "compound_id": "C09132", + "inchi": "InChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3/t11-,13-,14+,16-,17-,18+,19-,21+,22-,23-,24-,25-,26+/m1/s1", + "name": "Mascaroside", + "names": [ + "Mascaroside" + ] + }, + { + "compound_id": "C09133", + "inchi": "InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1", + "name": "(-)-Chimonanthine", + "names": [ + "(-)-Chimonanthine" + ] + }, + { + "compound_id": "C09134", + "inchi": "InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38+/m1/s1", + "name": "Mezerein", + "names": [ + "Mezerein" + ] + }, + { + "compound_id": "C09135", + "inchi": "InChI=1S/C32H48O8/c1-6-7-8-9-10-11-12-13-14-15-30-38-25-23-26-29(18-33,37-26)27(35)31(36)22(16-20(4)24(31)34)32(23,40-30)21(5)17-28(25,39-30)19(2)3/h16,21-23,25-27,33,35-36H,2,6-15,17-18H2,1,3-5H3/t21-,22-,23-,25-,26+,27-,28-,29+,30+,31-,32+/m1/s1", + "name": "Montanin", + "names": [ + "Montanin" + ] + }, + { + "compound_id": "C09136", + "inchi": "InChI=1S/C19H20O4/c1-11-7-15-17-13(10-22-15)3-2-4-14(17)19(11)8-16(23-18(19)20)12-5-6-21-9-12/h5-6,9-11,14,16H,2-4,7-8H2,1H3/t11-,14+,16+,19-/m1/s1", + "name": "Montanin A", + "names": [ + "Montanin A" + ] + }, + { + "compound_id": "C09137", + "inchi": "InChI=1S/C21H36O4/c1-15(2)17(4)13-19(23)16(3)7-6-11-21(5)20(24)9-8-18(10-12-22)14-25-21/h10,13,15-16,20,22,24H,6-9,11-12,14H2,1-5H3/b17-13+,18-10+/t16-,20-,21+/m1/s1", + "name": "Montanol", + "names": [ + "Montanol" + ] + }, + { + "compound_id": "C09138", + "inchi": "InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13+,14-,15+,16+,18-,19-/m1/s1", + "name": "Nagilactone C", + "names": [ + "Nagilactone C" + ] + }, + { + "compound_id": "C09139", + "inchi": "InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14-,19-,21+/m0/s1", + "name": "Coronaridine", + "names": [ + "(-)-Coronaridine", + "Coronaridine" + ] + }, + { + "compound_id": "C09140", + "inchi": "InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1", + "name": "Neocembrene", + "names": [ + "Cembrene A", + "Neocembrene" + ] + }, + { + "compound_id": "C09141", + "inchi": "InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1", + "name": "Byakangelicin", + "names": [ + "Byakangelicin" + ] + }, + { + "compound_id": "C09142", + "inchi": "InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3", + "name": "Cryptolepine", + "names": [ + "Cryptolepine" + ] + }, + { + "compound_id": "C09143", + "inchi": "InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1", + "name": "Pedilstatin", + "names": [ + "12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate", + "Pedilstatin" + ] + }, + { + "compound_id": "C09144", + "inchi": "InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6-/t27-,28-,35-,36-,37+,38+,39+,40+,43-,44-/m0/s1", + "name": "C-Curarine", + "names": [ + "C-Curarine", + "C-Curarine I" + ] + }, + { + "compound_id": "C09145", + "inchi": "InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22+,23+,24+,25-/m0/s1", + "name": "Ophiobolin A", + "names": [ + "Ophiobolin A" + ] + }, + { + "compound_id": "C09146", + "inchi": "InChI=1S/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3/t16-,18+,19-/m1/s1", + "name": "Eburnamine", + "names": [ + "Eburnamenin-14-ol, 14,15-dihydro-, (14alpha)-", + "Eburnamine" + ] + }, + { + "compound_id": "C09147", + "inchi": "InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1", + "name": "Calanolide A", + "names": [ + "Calanolide A" + ] + }, + { + "compound_id": "C09148", + "inchi": "InChI=1S/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1", + "name": "Oryzalexin A", + "names": [ + "Oryzalexin A" + ] + }, + { + "compound_id": "C09149", + "inchi": "InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1", + "name": "Eburnamonine", + "names": [ + "Eburnamonine", + "Vinburnine" + ] + }, + { + "compound_id": "C09150", + "inchi": "InChI=1S/C20H30O4/c1-17(2)8-5-9-19(4)15(17)7-6-14(13-21)20(19)11-10-18(3,24-20)12-16(22)23/h6,13,15H,5,7-12H2,1-4H3,(H,22,23)/t15-,18-,19-,20+/m0/s1", + "name": "17-Oxogrindelic acid", + "names": [ + "17-Oxogrindelic acid" + ] + }, + { + "compound_id": "C09151", + "inchi": "InChI=1S/C20H22O7/c1-18-7-11(9-4-6-24-8-9)25-16(21)10(18)3-5-19(2)14(18)12-13-15(26-13)20(19,23)17(22)27-12/h4,6,8,10-15,23H,3,5,7H2,1-2H3/t10-,11-,12-,13+,14+,15+,18-,19-,20+/m1/s1", + "name": "Palmarin", + "names": [ + "Palmarin" + ] + }, + { + "compound_id": "C09152", + "inchi": "InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18+,20+,21+,22+,24+/m1/s1", + "name": "Echitamine", + "names": [ + "Echitamine" + ] + }, + { + "compound_id": "C09153", + "inchi": "InChI=1S/C38H60O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(42)46-34-26(3)37(45)29(32-35(5,24-40)38(32,34)47-27(4)41)21-28(23-39)22-36(44)30(37)20-25(2)33(36)43/h20-21,26,29-30,32,34,39-40,44-45H,6-19,22-24H2,1-5H3/t26-,29+,30-,32-,34-,35-,36-,37-,38-/m1/s1", + "name": "12-O-Palmitoyl-16-hydroxyphorbol 13-acetate", + "names": [ + "12-O-Palmitoyl-16-hydroxyphorbol 13-acetate", + "Croton factor F1" + ] + }, + { + "compound_id": "C09154", + "inchi": "InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3", + "name": "Ellipticine", + "names": [ + "Ellipticine" + ] + }, + { + "compound_id": "C09155", + "inchi": "InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1", + "name": "Phorbol", + "names": [ + "Phorbol" + ] + }, + { + "compound_id": "C09156", + "inchi": "InChI=1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3/b24-7-/t22-,23+,27-,28?,31-,35-,37+,40+,43-/m1/s1", + "name": "Epivoacorine", + "names": [ + "Epivoacorine" + ] + }, + { + "compound_id": "C09157", + "inchi": "InChI=1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25+,26-,28-,30-,33-,34-,35-/m1/s1", + "name": "Phorbol 12-tiglate 13-decanoate", + "names": [ + "Phorbol 12-tiglate 13-decanoate" + ] + }, + { + "compound_id": "C09158", + "inchi": "InChI=1S/C26H24O5/c1-6-15(2)22(28)21-23(29-5)17-12-13-26(3,4)31-24(17)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+", + "name": "Calophyllolide", + "names": [ + "Calophyllolide" + ] + }, + { + "compound_id": "C09159", + "inchi": "InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1", + "name": "(+)-Pimaric acid", + "names": [ + "(+)-Pimaric acid", + "Dextropimaric acid" + ] + }, + { + "compound_id": "C09160", + "inchi": "InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1", + "name": "Ergine", + "names": [ + "Ergine", + "Lysergamide" + ] + }, + { + "compound_id": "C09161", + "inchi": "InChI=1S/C37H50O9/c1-20(2)33-18-22(4)37-26-29(33)44-35(45-33,46-37)17-13-8-6-7-10-14-21(3)25-23(5)28(42-31(39)24-15-11-9-12-16-24)36(41,27(25)37)32(40)34(19-38)30(26)43-34/h9,11-12,15-16,21-23,25-30,32,38,40-41H,1,6-8,10,13-14,17-19H2,2-5H3/t21-,22-,23+,25+,26-,27-,28+,29-,30+,32-,33-,34+,35+,36-,37-/m1/s1", + "name": "Pimelea factor P2", + "names": [ + "Daphnopsis factor R1", + "Pimelea factor P2" + ] + }, + { + "compound_id": "C09162", + "inchi": "InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1", + "name": "Ergocornine", + "names": [ + "Ergocornine" + ] + }, + { + "compound_id": "C09163", + "inchi": "InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,20-/m0/s1", + "name": "Pisiferic acid", + "names": [ + "Pisiferic acid" + ] + }, + { + "compound_id": "C09164", + "inchi": "InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1", + "name": "Ergocristine", + "names": [ + "Ergocristine" + ] + }, + { + "compound_id": "C09165", + "inchi": "InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3", + "name": "Chalepensin", + "names": [ + "3-(alpha,alpha-Dimethylallyl)psoralen", + "Chalepensin" + ] + }, + { + "compound_id": "C09166", + "inchi": "InChI=1S/C20H20O6/c1-11-7-16-20(10-21)13(17(22)26-16)3-2-4-15(20)19(11)8-14(25-18(19)23)12-5-6-24-9-12/h3,5-6,9,14-16,21H,1-2,4,7-8,10H2/t14-,15+,16+,19+,20-/m0/s1", + "name": "Plaunol B", + "names": [ + "Plaunol B" + ] + }, + { + "compound_id": "C09167", + "inchi": "InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1", + "name": "Ergosine", + "names": [ + "Ergosine" + ] + }, + { + "compound_id": "C09168", + "inchi": "InChI=1S/C20H22O7/c1-10-4-16-20-9-26-18(24)19(10,7-14(22)11-2-3-25-8-11)15(20)6-12(21)5-13(20)17(23)27-16/h2-3,5,8,12,14-16,18,21-22,24H,1,4,6-7,9H2/t12-,14+,15-,16-,18+,19-,20+/m1/s1", + "name": "Plaunol D", + "names": [ + "Plaunol D" + ] + }, + { + "compound_id": "C09169", + "inchi": "InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14-,16+,18?,19-,20+,21-,22-/m0/s1", + "name": "Pleuromutilin", + "names": [ + "Pleuromutilin" + ] + }, + { + "compound_id": "C09170", + "inchi": "InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13-,16-/m0/s1", + "name": "Eseramine", + "names": [ + "(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide", + "Eseramine" + ] + }, + { + "compound_id": "C09171", + "inchi": "InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1", + "name": "Podocarpic acid", + "names": [ + "Podocarpic acid" + ] + }, + { + "compound_id": "C09172", + "inchi": "InChI=1S/C19H22O9/c1-16(24,5-20)14-19-6(4-7(21)25-14)17(2)10-8(13(19)28-19)27-15(23)18(10,3)11(22)9-12(17)26-9/h4,8-14,20,22,24H,5H2,1-3H3/t8-,9-,10+,11-,12-,13+,14+,16+,17+,18+,19-/m0/s1", + "name": "Podolactone B", + "names": [ + "Podolactone B" + ] + }, + { + "compound_id": "C09173", + "inchi": "InChI=1S/C19H22O5/c1-9(2)14-19-10(8-11(20)22-14)17(3)6-5-7-18(4)13(17)12(15(19)24-19)23-16(18)21/h5,7-9,12-15H,6H2,1-4H3/t12-,13+,14+,15+,17+,18-,19+/m0/s1", + "name": "Podolide", + "names": [ + "Podolide" + ] + }, + { + "compound_id": "C09174", + "inchi": "InChI=1S/C19H22O6/c1-7(2)12-8-5-10-14-18(3,9(8)6-11(20)24-12)16-13(25-16)15(21)19(14,4)17(22)23-10/h5-7,10,12-16,21H,1-4H3/t10-,12-,13+,14-,15+,16+,18-,19-/m1/s1", + "name": "Ponalactone A", + "names": [ + "Ponalactone A" + ] + }, + { + "compound_id": "C09175", + "inchi": "InChI=1S/C20H32O4/c1-15-4-3-5-18-19(10-15,13-23)11-16(2)20(18,14-24)8-6-17(12-22)7-9-21/h4,7,13,16,18,21-22,24H,3,5-6,8-12,14H2,1-2H3/b17-7-/t16-,18+,19+,20-/m1/s1", + "name": "Portulal", + "names": [ + "Portulal" + ] + }, + { + "compound_id": "C09176", + "inchi": "InChI=1S/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m0/s1", + "name": "Eseridine", + "names": [ + "Eseridine" + ] + }, + { + "compound_id": "C09177", + "inchi": "InChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15+,17+,18+,19-,20-/m1/s1", + "name": "Premarrubiin", + "names": [ + "Premarrubiin" + ] + }, + { + "compound_id": "C09178", + "inchi": "InChI=1S/C20H28O6/c1-10(2)18(24)7-12(4)20(26)14(17(18)23)6-13(9-21)8-19(25)15(20)5-11(3)16(19)22/h5-6,12,14-15,17,21,23-26H,1,7-9H2,2-4H3/t12-,14+,15-,17-,18-,19-,20-/m1/s1", + "name": "Resiniferonol", + "names": [ + "Resiniferonol" + ] + }, + { + "compound_id": "C09179", + "inchi": "InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-28(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-25(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)15-26-11-12-27(38)16-29(26)42-5/h6-14,16,23,28,30,33,38,41H,1,15,17-20H2,2-5H3/t23-,28+,30-,33-,34-,35-,36+,37-/m1/s1", + "name": "Resiniferatoxin", + "names": [ + "RTX", + "Resiniferatoxin" + ] + }, + { + "compound_id": "C09180", + "inchi": "InChI=1S/C24H38O8/c1-12(25)31-18-10-23-11-21(5,28)14(19(23)32-13(2)26)7-8-15(23)22(6,29)16-9-17(27)20(3,4)24(16,18)30/h14-19,27-30H,7-11H2,1-6H3/t14-,15+,16+,17+,18-,19?,21-,22-,23+,24+/m1/s1", + "name": "Rhodojaponin IV", + "names": [ + "Rhodojaponin IV" + ] + }, + { + "compound_id": "C09181", + "inchi": "InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25-,27+,28?,31?,32+/m1/s1", + "name": "Chartreusin", + "names": [ + "Chartreusin" + ] + }, + { + "compound_id": "C09182", + "inchi": "InChI=1S/C20H28O3/c1-11(2)14-16(21)12-7-8-13-19(3,4)9-6-10-20(13,5)15(12)18(23)17(14)22/h11,13,22H,6-10H2,1-5H3/t13-,20-/m0/s1", + "name": "Royleanone", + "names": [ + "Royleanone" + ] + }, + { + "compound_id": "C09183", + "inchi": "InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1", + "name": "Sclareol", + "names": [ + "Sclareol" + ] + }, + { + "compound_id": "C09184", + "inchi": "InChI=1S/C20H26O6/c1-10-11-6-12(21)13-19(9-26-17(24)20(13,7-11)15(10)22)5-3-4-18(2)8-25-16(23)14(18)19/h11-14,16,21,23H,1,3-9H2,2H3/t11-,12-,13+,14-,16+,18+,19-,20+/m1/s1", + "name": "Shikodonin", + "names": [ + "Shikodonin" + ] + }, + { + "compound_id": "C09185", + "inchi": "InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1", + "name": "Simplexin", + "names": [ + "Simplexin" + ] + }, + { + "compound_id": "C09186", + "inchi": "InChI=1S/C18H20O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h6,8-9,12,14,16H,3-5,7H2,1-2H3/b13-8+/t9-,12+,14+,16-/m0/s1", + "name": "Sorgolactone", + "names": [ + "Sorgolactone" + ] + }, + { + "compound_id": "C09187", + "inchi": "InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1", + "name": "Evodiamine", + "names": [ + "Evodiamine" + ] + }, + { + "compound_id": "C09188", + "inchi": "InChI=1S/C20H28O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17-18,21-22H,1,7-10H2,2-5H3/t17-,18-,20+/m1/s1", + "name": "Spruceanol", + "names": [ + "Spruceanol" + ] + }, + { + "compound_id": "C09189", + "inchi": "InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30?,31?,32+,33?,35-,36-,37-,38+/m1/s1", + "name": "Stevioside", + "names": [ + "Stevioside" + ] + }, + { + "compound_id": "C09190", + "inchi": "InChI=1S/C19H22O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,13-14,16,20H,4-5,7H2,1-3H3/b12-8+/t10-,13+,14-,16+/m1/s1", + "name": "Strigol", + "names": [ + "Strigol" + ] + }, + { + "compound_id": "C09191", + "inchi": "InChI=1S/C20H28N2O/c1-14-8-9-16(12-19(14)23)20(2,3)22-11-10-15-13-21-18-7-5-4-6-17(15)18/h4-7,13-14,16,21-22H,8-12H2,1-3H3/t14-,16-/m1/s1", + "name": "Fruticosonine", + "names": [ + "Fruticosonine" + ] + }, + { + "compound_id": "C09192", + "inchi": "InChI=1S/C36H54O8/c1-22(2)32-20-23(3)36-26-29(32)42-34(43-32,44-36)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-25-24(4)28(38)35(40,27(25)36)31(39)33(21-37)30(26)41-33/h17,19,23-27,29-31,37,39-40H,1,5-16,18,20-21H2,2-4H3/b19-17-/t23-,24+,25+,26-,27-,29-,30+,31-,32-,33+,34+,35-,36-/m1/s1", + "name": "Synaptolepis factor K1", + "names": [ + "Synaptolepis factor K1" + ] + }, + { + "compound_id": "C09193", + "inchi": "InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-16-29(35(49-3)18-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23-,27?,30+,34+,36?,39-,42+/m0/s1", + "name": "Gabunamine", + "names": [ + "Gabunamine" + ] + }, + { + "compound_id": "C09194", + "inchi": "InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1", + "name": "Taxodione", + "names": [ + "Taxodione" + ] + }, + { + "compound_id": "C09195", + "inchi": "InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-18-35(49-3)29(16-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23-,27?,30+,34+,36?,39-,42+/m0/s1", + "name": "Gabunine", + "names": [ + "Gabunine" + ] + }, + { + "compound_id": "C09196", + "inchi": "InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1", + "name": "Taxodone", + "names": [ + "6,11-Dihydroxyabieta-7,9(11),13-trien-12-one", + "Taxodone" + ] + }, + { + "compound_id": "C09197", + "inchi": "InChI=1S/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3/t12-,13+,14+,17+,18+,19-/m1/s1", + "name": "Geissoschizoline", + "names": [ + "(16alpha)-Curan-17-ol", + "Geissoschizoline" + ] + }, + { + "compound_id": "C09198", + "inchi": "InChI=1S/C30H40O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h10-14,19-21,23-25,31,33-34H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1", + "name": "Terpenoid EA-I", + "names": [ + "22,23,24,25-Tetradehydro-simplexin", + "Excoecariatoxin", + "Terpenoid EA-I" + ] + }, + { + "compound_id": "C09200", + "inchi": "InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5-/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1", + "name": "Geissospermine", + "names": [ + "Geissospermine" + ] + }, + { + "compound_id": "C09201", + "inchi": "InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35+,36-/m1/s1", + "name": "Tinyatoxin", + "names": [ + "Tinyatoxin" + ] + }, + { + "compound_id": "C09202", + "inchi": "InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13?,14-,16+,17-,18?,19+,20+/m0/s1", + "name": "Tripdiolide", + "names": [ + "Tripdiolide", + "Triptodiolide" + ] + }, + { + "compound_id": "C09203", + "inchi": "InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1", + "name": "Gelsemicine", + "names": [ + "Gelsemicine" + ] + }, + { + "compound_id": "C09204", + "inchi": "InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13?,14-,16?,17-,18?,19+,20+/m0/s1", + "name": "Triptolide", + "names": [ + "Triptolide" + ] + }, + { + "compound_id": "C09205", + "inchi": "InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1", + "name": "Zoapatanol", + "names": [ + "Zoapatanol" + ] + }, + { + "compound_id": "C09206", + "inchi": "InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1", + "name": "Cichoriin", + "names": [ + "Cichoriin" + ] + }, + { + "compound_id": "C09207", + "inchi": "InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11?,13-,15-,16-,17+,19+,20+/m1/s1", + "name": "Gelsemine", + "names": [ + "Gelsemine" + ] + }, + { + "compound_id": "C09208", + "inchi": "InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35-,36+,37+/m1/s1", + "name": "Haplophytine", + "names": [ + "Haplophytine" + ] + }, + { + "compound_id": "C09209", + "inchi": "InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3", + "name": "Harman", + "names": [ + "Harman" + ] + }, + { + "compound_id": "C09210", + "inchi": "InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m1/s1", + "name": "(R)-Columbianetin", + "names": [ + "(R)-Columbianetin" + ] + }, + { + "compound_id": "C09211", + "inchi": "InChI=1S/C33H38N6/c1-37-18-15-31(21-9-4-6-13-25(21)34-28(31)37)23-11-8-12-24-27(23)36-30-33(24,17-20-39(30)3)32-16-19-38(2)29(32)35-26-14-7-5-10-22(26)32/h4-14,28-30,34-36H,15-20H2,1-3H3/t28-,29+,30-,31-,32-,33+/m1/s1", + "name": "Hodgkinsine", + "names": [ + "Hodgkinsine" + ] + }, + { + "compound_id": "C09212", + "inchi": "InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,17H", + "name": "11-Hydroxycanthin-6-one", + "names": [ + "11-Hydroxycanthin-6-one" + ] + }, + { + "compound_id": "C09213", + "inchi": "InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1", + "name": "Hypaphorine", + "names": [ + "Hypaphorine", + "Lenticin" + ] + }, + { + "compound_id": "C09214", + "inchi": "InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1", + "name": "Ibogaine", + "names": [ + "Ibogaine" + ] + }, + { + "compound_id": "C09215", + "inchi": "InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/t12-,13-,16-,19-/m0/s1", + "name": "Ibogamine", + "names": [ + "Ibogamine" + ] + }, + { + "compound_id": "C09216", + "inchi": "InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3", + "name": "Daphnoretin", + "names": [ + "Daphnoretin" + ] + }, + { + "compound_id": "C09217", + "inchi": "InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14+,15+,16+,17+,18-,19+,20-/m1/s1", + "name": "Isoajmaline", + "names": [ + "Isoajmaline" + ] + }, + { + "compound_id": "C09218", + "inchi": "InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42-,43-,44-,45+,46+/m1/s1", + "name": "Leurosidine", + "names": [ + "Leurosidine", + "Vinrosidine" + ] + }, + { + "compound_id": "C09219", + "inchi": "InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36-,37+,38-,39-,42-,43+,44-,45+,46+/m1/s1", + "name": "Leurosine", + "names": [ + "Leurosine", + "Vinleurosine" + ] + }, + { + "compound_id": "C09220", + "inchi": "InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3", + "name": "Mahanimbine", + "names": [ + "(+)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)pyrano[3,2-a]carbazole", + "Mahanimbine" + ] + }, + { + "compound_id": "C09221", + "inchi": "InChI=1S/C21H23NO4/c1-25-16-13-15(12-8-4-7-11-14-9-5-3-6-10-14)17-18(20(16)26-2)22-21(24)19(17)23/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,22,23,24)", + "name": "Melosatin A", + "names": [ + "Melosatin A" + ] + }, + { + "compound_id": "C09222", + "inchi": "InChI=1S/C19H19NO2/c21-18-17-15(12-7-13-16(17)20-19(18)22)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2,(H,20,21,22)", + "name": "Melosatin B", + "names": [ + "Melosatin B" + ] + }, + { + "compound_id": "C09223", + "inchi": "InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1", + "name": "Mesembrenone", + "names": [ + "Mesembrenone" + ] + }, + { + "compound_id": "C09224", + "inchi": "InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m0/s1", + "name": "Mesembrine", + "names": [ + "Mesembrine" + ] + }, + { + "compound_id": "C09225", + "inchi": "InChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3/t13-,16+,17+/m1/s1", + "name": "Mesembrinol", + "names": [ + "Mesembrinol" + ] + }, + { + "compound_id": "C09226", + "inchi": "InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1", + "name": "Mitragynine", + "names": [ + "Mitragynine" + ] + }, + { + "compound_id": "C09227", + "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1", + "name": "Mitraphylline", + "names": [ + "Mitraphylline" + ] + }, + { + "compound_id": "C09228", + "inchi": "InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3", + "name": "Murrayanine", + "names": [ + "9H-Carbazole-3-carboxaldehyde, 1-methoxy-", + "Murrayanine" + ] + }, + { + "compound_id": "C09229", + "inchi": "InChI=1S/C29H34N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h3-10,18-19,26-27,30-32H,2,11-17H2,1H3/t18-,19-,26+,27-/m0/s1", + "name": "Ochrolifuanine A", + "names": [ + "16-[(1R)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-17-norcorynan", + "Ochrolifuanine A" + ] + }, + { + "compound_id": "C09230", + "inchi": "InChI=1S/C17H14N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17(10)15/h3-9,19H,1-2H3", + "name": "Olivacine", + "names": [ + "Olivacine" + ] + }, + { + "compound_id": "C09231", + "inchi": "InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2", + "name": "Perlolyrine", + "names": [ + "Perlolyrine" + ] + }, + { + "compound_id": "C09232", + "inchi": "InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12-,14-/m0/s1", + "name": "Physovenine", + "names": [ + "Physovenine" + ] + }, + { + "compound_id": "C09233", + "inchi": "InChI=1S/C55H62N10/c1-61-28-23-51(33-13-6-8-21-41(33)56-46(51)61)35-15-10-16-36-43(35)58-48-53(36,25-30-63(48)3)38-18-12-20-40-45(38)60-50-55(40,27-32-65(50)5)54-26-31-64(4)49(54)59-44-37(17-11-19-39(44)54)52-24-29-62(2)47(52)57-42-22-9-7-14-34(42)52/h6-22,46-50,56-60H,23-32H2,1-5H3", + "name": "Psychotridine", + "names": [ + "Psychotridine" + ] + }, + { + "compound_id": "C09234", + "inchi": "InChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3", + "name": "Quadrigemine A", + "names": [ + "Quadrigemine A" + ] + }, + { + "compound_id": "C09235", + "inchi": "InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1", + "name": "(-)-Quebrachamine", + "names": [ + "(-)-Quebrachamine", + "Quebrachamine" + ] + }, + { + "compound_id": "C09236", + "inchi": "InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1", + "name": "Rhyncophylline", + "names": [ + "Rhynchophylline", + "Rhyncophylline" + ] + }, + { + "compound_id": "C09237", + "inchi": "InChI=1S/C31H32N4O2/c1-31-24-17-34-13-11-20-18-7-3-5-9-25(18)32-28(20)27(34)15-22(24)23(30(36)37-2)16-35(31)14-12-21-19-8-4-6-10-26(19)33-29(21)31/h3-10,16,22,24,27,32-33H,11-15,17H2,1-2H3/t22-,24-,27-,31-/m1/s1", + "name": "Roxburghine B", + "names": [ + "Roxburghine B" + ] + }, + { + "compound_id": "C09238", + "inchi": "InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2", + "name": "Rutecarpine", + "names": [ + "Rutecarpine" + ] + }, + { + "compound_id": "C09239", + "inchi": "InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12?,15-,17+,18+/m1/s1", + "name": "Sarpagine", + "names": [ + "Sarpagine" + ] + }, + { + "compound_id": "C09240", + "inchi": "InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2", + "name": "Sempervirine", + "names": [ + "Sempervirine" + ] + }, + { + "compound_id": "C09241", + "inchi": "InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16+/m0/s1", + "name": "Serpentine", + "names": [ + "Serpentine", + "Serpentine (alkaloid)" + ] + }, + { + "compound_id": "C09242", + "inchi": "InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6-/t22-,23-,29?,30+,32-,35+,36?,39-/m0/s1", + "name": "Tabernamine", + "names": [ + "Tabernamine" + ] + }, + { + "compound_id": "C09243", + "inchi": "InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7-8,14-15H,5-6H2,1-2H3/t8-/m1/s1", + "name": "Tetrahydroharmine", + "names": [ + "Tetrahydroharmine" + ] + }, + { + "compound_id": "C09244", + "inchi": "InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1", + "name": "Tabersonine", + "names": [ + "Tabersonine" + ] + }, + { + "compound_id": "C09245", + "inchi": "InChI=1S/C11H7ClN2OS/c12-5-1-2-6-7-4-9(10(13)15)16-11(7)14-8(6)3-5/h1-4,14H,(H2,13,15)", + "name": "Thienodolin", + "names": [ + "Thienodolin" + ] + }, + { + "compound_id": "C09246", + "inchi": "InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1", + "name": "Toxiferine I", + "names": [ + "Toxiferine I" + ] + }, + { + "compound_id": "C09247", + "inchi": "InChI=1S/C30H20N4O6/c35-27-17(11-21-25-15(9-23(29(37)38)33(21)27)13-5-1-3-7-19(13)31-25)18-12-22-26-16(14-6-2-4-8-20(14)32-26)10-24(30(39)40)34(22)28(18)36/h1-8,11-12,23-24,31-32H,9-10H2,(H,37,38)(H,39,40)/b18-17+/t23-,24-/m0/s1", + "name": "Trichotomine", + "names": [ + "Trichotomine" + ] + }, + { + "compound_id": "C09248", + "inchi": "InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1", + "name": "Tubulosine", + "names": [ + "Tubulosine" + ] + }, + { + "compound_id": "C09249", + "inchi": "InChI=1S/C29H28N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h2-11,13,19,27,31-32H,12,14-17H2,1H3/b18-2-/t19-,27-/m0/s1", + "name": "Usambarensine", + "names": [ + "Usambarensine" + ] + }, + { + "compound_id": "C09250", + "inchi": "InChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3/t19-,20-,27-,28-/m0/s1", + "name": "Usambarine", + "names": [ + "Usambarine" + ] + }, + { + "compound_id": "C09251", + "inchi": "InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1", + "name": "Vincamine", + "names": [ + "Vincamine" + ] + }, + { + "compound_id": "C09252", + "inchi": "InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28?,31+,35+,37-,40-,43+/m0/s1", + "name": "Voacamine", + "names": [ + "Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate", + "Voacamine" + ] + }, + { + "compound_id": "C09253", + "inchi": "InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14?,17-,19?/m1/s1", + "name": "Vobasine", + "names": [ + "Vobasine" + ] + }, + { + "compound_id": "C09254", + "inchi": "InChI=1S/C43H50N4O6/c1-50-26-7-8-29-31(19-26)47-24-38(20-25-21-39-12-17-52-32(39)9-14-45-16-11-42(29,36(39)45)43(25,47)49)23-46-15-10-41-28-5-3-4-6-30(28)44-33(41)27(34(48)51-2)22-40(35(41)46)13-18-53-37(38)40/h3-8,19,25,32,35-37,44,49H,9-18,20-24H2,1-2H3/t25?,32-,35-,36-,37-,38-,39+,40-,41-,42+,43+/m0/s1", + "name": "Vobtusine", + "names": [ + "Vobtusine" + ] + }, + { + "compound_id": "C09255", + "inchi": "InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1", + "name": "Vomicine", + "names": [ + "Vomicine" + ] + }, + { + "compound_id": "C09256", + "inchi": "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1", + "name": "Yohimbine", + "names": [ + "Yohimbine" + ] + }, + { + "compound_id": "C09257", + "inchi": "InChI=1S/C26H34O14/c1-26(2,16-6-11-5-10-3-4-17(29)36-12(10)7-13(11)35-16)40-25-22(34)20(32)23(15(9-28)38-25)39-24-21(33)19(31)18(30)14(8-27)37-24/h3-5,7,14-16,18-25,27-28,30-34H,6,8-9H2,1-2H3/t14-,15-,16-,18-,19+,20-,21-,22-,23-,24-,25+/m1/s1", + "name": "Decuroside III", + "names": [ + "Decuroside III" + ] + }, + { + "compound_id": "C09258", + "inchi": "InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1", + "name": "Decursin", + "names": [ + "Decursin" + ] + }, + { + "compound_id": "C09259", + "inchi": "InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1", + "name": "Decursinol", + "names": [ + "Decursinol" + ] + }, + { + "compound_id": "C09260", + "inchi": "InChI=1S/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3/t19-,20-/m1/s1", + "name": "Dihydrosamidin", + "names": [ + "Dihydrosamidin" + ] + }, + { + "compound_id": "C09261", + "inchi": "InChI=1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3/t22-,23-/m1/s1", + "name": "Disenecionyl cis-khellactone", + "names": [ + "Disenecionyl cis-khellactone" + ] + }, + { + "compound_id": "C09262", + "inchi": "InChI=1S/C21H22O8/c1-10-21(5,28-10)19(24)27-18-17(25-11(2)22)15-13(29-20(18,3)4)8-6-12-7-9-14(23)26-16(12)15/h6-10,17-18H,1-5H3/t10?,17-,18-,21?/m1/s1", + "name": "(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin", + "names": [ + "(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin" + ] + }, + { + "compound_id": "C09263", + "inchi": "InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H", + "name": "Esculetin", + "names": [ + "Aesculetin", + "Esculetin" + ] + }, + { + "compound_id": "C09264", + "inchi": "InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1", + "name": "Esculin", + "names": [ + "Esculin", + "Esculoside" + ] + }, + { + "compound_id": "C09265", + "inchi": "InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3", + "name": "Fraxetin", + "names": [ + "Fraxetin" + ] + }, + { + "compound_id": "C09266", + "inchi": "InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1", + "name": "Fraxin", + "names": [ + "Fraxin" + ] + }, + { + "compound_id": "C09267", + "inchi": "InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3", + "name": "Heliettin", + "names": [ + "Heliettin" + ] + }, + { + "compound_id": "C09268", + "inchi": "InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3", + "name": "Herniarin", + "names": [ + "7-Methoxycoumarin", + "Herniarin" + ] + }, + { + "compound_id": "C09269", + "inchi": "InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3", + "name": "Imperatorin", + "names": [ + "Imperatorin" + ] + }, + { + "compound_id": "C09270", + "inchi": "InChI=1S/C21H22O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1", + "name": "Isosamidin", + "names": [ + "Isosamidin" + ] + }, + { + "compound_id": "C09271", + "inchi": "InChI=1S/C11H10O5/c1-14-7-5-8(15-2)10(13)11-6(7)3-4-9(12)16-11/h3-5,13H,1-2H3", + "name": "Leptodactylone", + "names": [ + "Leptodactylone" + ] + }, + { + "compound_id": "C09272", + "inchi": "InChI=1S/C19H20O5/c1-11(2)9-17(21)24-19(3,4)15-10-13-14(22-15)7-5-12-6-8-16(20)23-18(12)13/h5-9,15H,10H2,1-4H3/t15-/m0/s1", + "name": "Libanorin", + "names": [ + "Libanorin" + ] + }, + { + "compound_id": "C09273", + "inchi": "InChI=1S/C15H14O4/c1-15(2)7-6-10-8-9-4-5-11(16)18-12(9)14(17-3)13(10)19-15/h4-8H,1-3H3", + "name": "Luvangetin", + "names": [ + "10-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one", + "Luvangetin" + ] + }, + { + "compound_id": "C09274", + "inchi": "InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1", + "name": "Tabernanthine", + "names": [ + "Tabernanthine" + ] + }, + { + "compound_id": "C09275", + "inchi": "InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)22(19(26)12-15(3)4)24(29)21-18(13-20(27)30-25(17)21)16-8-6-5-7-9-16/h5-10,13,15,28-29H,11-12H2,1-4H3", + "name": "Mammeisin", + "names": [ + "Mammeisin" + ] + }, + { + "compound_id": "C09276", + "inchi": "InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1", + "name": "Marmesin", + "names": [ + "(+)-Marmesin", + "Marmesin" + ] + }, + { + "compound_id": "C09277", + "inchi": "InChI=1S/C15H12O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-13H,1-2H3/t12-,13-,15-/m0/s1", + "name": "Micromelin", + "names": [ + "Micromelin" + ] + }, + { + "compound_id": "C09278", + "inchi": "InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1", + "name": "Nodakenetin", + "names": [ + "(-)-Marmesin", + "Nodakenetin" + ] + }, + { + "compound_id": "C09279", + "inchi": "InChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3/t13-,14-,16-,17+,18-,19+/m1/s1", + "name": "Nodakenin", + "names": [ + "Nodakenin" + ] + }, + { + "compound_id": "C09280", + "inchi": "InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3", + "name": "Osthol", + "names": [ + "Osthol" + ] + }, + { + "compound_id": "C09281", + "inchi": "InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+", + "name": "Ostruthin", + "names": [ + "Ostruthin" + ] + }, + { + "compound_id": "C09282", + "inchi": "InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1", + "name": "Oxypeucedanin", + "names": [ + "Oxypeucedanin" + ] + }, + { + "compound_id": "C09283", + "inchi": "InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3", + "name": "Peucedanin", + "names": [ + "Peucedanin" + ] + }, + { + "compound_id": "C09284", + "inchi": "InChI=1S/C21H22O7/c1-11(2)10-16(24)28-21(4,5)20-19(25-12(3)22)17-14(26-20)8-6-13-7-9-15(23)27-18(13)17/h6-10,19-20H,1-5H3/t19-,20+/m1/s1", + "name": "Peucenidin", + "names": [ + "Peucenidin" + ] + }, + { + "compound_id": "C09285", + "inchi": "InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3", + "name": "Pimpinellin", + "names": [ + "Pimpinellin" + ] + }, + { + "compound_id": "C09286", + "inchi": "InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1", + "name": "Absinthin", + "names": [ + "Absinthin" + ] + }, + { + "compound_id": "C09287", + "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1", + "name": "Achillin", + "names": [ + "Achillin" + ] + }, + { + "compound_id": "C09288", + "inchi": "InChI=1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3,24)6-20)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14)7-25-19/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18+,19-/m0/s1", + "name": "Acroptilin", + "names": [ + "Acroptilin", + "Chlorohyssopifolin C" + ] + }, + { + "compound_id": "C09289", + "inchi": "InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1", + "name": "Alantolactone", + "names": [ + "Alantolactone" + ] + }, + { + "compound_id": "C09290", + "inchi": "InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8,11,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b13-5-,14-8-/t15-,16+,17+/m0/s1", + "name": "Alatolide", + "names": [ + "Alatolide" + ] + }, + { + "compound_id": "C09291", + "inchi": "InChI=1S/C15H20O4/c1-6-4-9-8(7(2)14(17)18-9)5-15(3)10(6)11-12(19-11)13(15)16/h6,8-13,16H,2,4-5H2,1,3H3/t6-,8-,9+,10-,11-,12-,13+,15+/m1/s1", + "name": "Amaralin", + "names": [ + "Amaralin" + ] + }, + { + "compound_id": "C09292", + "inchi": "InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1", + "name": "Ambrosin", + "names": [ + "10alphaH-Ambrosa-2,11(13)-dien-12-oic acid, 6beta-hydroxy-4-oxo-, gamma-lactone", + "Ambrosin" + ] + }, + { + "compound_id": "C09293", + "inchi": "InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1", + "name": "Angustibalin", + "names": [ + "Angustibalin", + "Helenalin 6-acetate" + ] + }, + { + "compound_id": "C09294", + "inchi": "InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8?,9+,12+,13+,14+,15-/m1/s1", + "name": "Anisatin", + "names": [ + "Anisatin" + ] + }, + { + "compound_id": "C09295", + "inchi": "InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1", + "name": "Arbusculin A", + "names": [ + "Arbusculin A" + ] + }, + { + "compound_id": "C09296", + "inchi": "InChI=1S/C29H40O10/c1-10-14(3)25(32)35-19-12-16(5)21-22(19)28(8,38-17(6)30)13-20(36-26(33)15(4)11-2)23-24(21)37-27(34)29(23,9)39-18(7)31/h10,12,15,19-24H,11,13H2,1-9H3/b14-10-/t15?,19-,20+,21-,22+,23-,24+,28+,29+/m1/s1", + "name": "Archangelolide", + "names": [ + "Archangelolide" + ] + }, + { + "compound_id": "C09297", + "inchi": "InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5+,14-8-/t12?,15-,16+,17+/m0/s1", + "name": "Arctiopicrin", + "names": [ + "Arctiopicrin" + ] + }, + { + "compound_id": "C09298", + "inchi": "InChI=1S/C17H20O6/c1-8-11-5-17(20)9(2)12(22-10(3)18)4-14(17)16(7-21-16)6-13(11)23-15(8)19/h11-14,20H,1-2,4-7H2,3H3/t11-,12+,13+,14+,16-,17-/m1/s1", + "name": "Arctolide", + "names": [ + "Arctolide" + ] + }, + { + "compound_id": "C09299", + "inchi": "InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9+,11+,12-,14-,15+,17+/m1/s1", + "name": "Arnicolide A", + "names": [ + "Arnicolide A", + "Dihydrohelenalin acatate" + ] + }, + { + "compound_id": "C09300", + "inchi": "InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1", + "name": "Aromaticin", + "names": [ + "Aromaticin" + ] + }, + { + "compound_id": "C09301", + "inchi": "InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3/t9-,10-,13-,15-/m0/s1", + "name": "Artabsin", + "names": [ + "Artabsin" + ] + }, + { + "compound_id": "C09302", + "inchi": "InChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10-,11+,13+,14+,15-/m0/s1", + "name": "Artecanin", + "names": [ + "Artecanin", + "Chrysartemin B" + ] + }, + { + "compound_id": "C09303", + "inchi": "InChI=1S/C17H20O5/c1-7-5-11(20-9(3)18)13-8(2)16(19)21-15(13)14-10(7)6-12-17(14,4)22-12/h11-15H,2,5-6H2,1,3-4H3/t11-,12+,13+,14-,15-,17+/m0/s1", + "name": "Arteglasin A", + "names": [ + "Arteglasin A" + ] + }, + { + "compound_id": "C09304", + "inchi": "InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1", + "name": "Artemisiifolin", + "names": [ + "Artemisiifolin" + ] + }, + { + "compound_id": "C09305", + "inchi": "InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H", + "name": "Psoralen", + "names": [ + "Ficusin", + "Psoralen" + ] + }, + { + "compound_id": "C09306", + "inchi": "InChI=1S/O2S/c1-3-2", + "name": "Sulfur dioxide", + "names": [ + "Sulfur dioxide" + ] + }, + { + "compound_id": "C09307", + "inchi": "InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1", + "name": "Pteryxin", + "names": [ + "Pteryxin" + ] + }, + { + "compound_id": "C09308", + "inchi": "InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1", + "name": "Rutamarin", + "names": [ + "Rutamarin" + ] + }, + { + "compound_id": "C09309", + "inchi": "InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1", + "name": "Rutarin", + "names": [ + "Rutarin" + ] + }, + { + "compound_id": "C09310", + "inchi": "InChI=1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1", + "name": "Samidin", + "names": [ + "Samidin" + ] + }, + { + "compound_id": "C09311", + "inchi": "InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3", + "name": "Scoparone", + "names": [ + "6,7-Dimethoxycoumarin", + "Scoparone" + ] + }, + { + "compound_id": "C09312", + "inchi": "InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3", + "name": "Seselin", + "names": [ + "Seselin" + ] + }, + { + "compound_id": "C09313", + "inchi": "InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3", + "name": "5,6,7-Trimethoxycoumarin", + "names": [ + "5,6,7-Trimethoxycoumarin" + ] + }, + { + "compound_id": "C09314", + "inchi": "InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3", + "name": "Trioxsalen", + "names": [ + "4,8,5'-Trimethylpsoralen", + "Trioxsalen", + "Trioxysalen" + ] + }, + { + "compound_id": "C09315", + "inchi": "InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H", + "name": "Umbelliferone", + "names": [ + "7-Hydroxycoumarin", + "Umbelliferone" + ] + }, + { + "compound_id": "C09316", + "inchi": "InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1", + "name": "Visnadin", + "names": [ + "Visnadin", + "Visnadine" + ] + }, + { + "compound_id": "C09317", + "inchi": "InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3", + "name": "Xanthyletin", + "names": [ + "Xanthyletin" + ] + }, + { + "compound_id": "C09318", + "inchi": "InChI=1S/C20H18O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)18-11-16(22)15-5-4-14(21)10-19(15)23-18/h3-10,18,21H,11H2,1-2H3/t18-/m0/s1", + "name": "Abyssinone I", + "names": [ + "Abyssinone I" + ] + }, + { + "compound_id": "C09319", + "inchi": "InChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1", + "name": "Abyssinone V", + "names": [ + "Abyssinone V" + ] + }, + { + "compound_id": "C09320", + "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1", + "name": "Afzelechin", + "names": [ + "3,5,7,4'-Tetrahydroxyflavan", + "Afzelechin" + ] + }, + { + "compound_id": "C09321", + "inchi": "InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+", + "name": "2'-Hydroxychalcone", + "names": [ + "2'-Hydroxychalcone" + ] + }, + { + "compound_id": "C09322", + "inchi": "InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1", + "name": "Actinodaphnine", + "names": [ + "Actinodaphine", + "Actinodaphnine" + ] + }, + { + "compound_id": "C09323", + "inchi": "InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1", + "name": "Adiantifoline", + "names": [ + "Adiantifoline" + ] + }, + { + "compound_id": "C09324", + "inchi": "InChI=1S/C21H21NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)18(22)19-12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m0/s1", + "name": "(+)-Adlumine", + "names": [ + "(+)-Adlumine" + ] + }, + { + "compound_id": "C09325", + "inchi": "InChI=1S/C19H23NO5/c1-23-13-5-4-11-6-7-19-17(25-3)16(24-2)12(21)10-18(19,8-9-20-19)14(11)15(13)22/h4-5,20,22H,6-10H2,1-3H3/t18-,19+/m0/s1", + "name": "Aknadicine", + "names": [ + "Aknadicine" + ] + }, + { + "compound_id": "C09326", + "inchi": "InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1", + "name": "Alamarine", + "names": [ + "Alamarine" + ] + }, + { + "compound_id": "C09327", + "inchi": "InChI=1S/C28H36N2O5/c1-5-16-15-30-9-7-19-21(14-26(34-3)28(35-4)27(19)32)23(30)11-18(16)10-22-20-13-25(33-2)24(31)12-17(20)6-8-29-22/h12-14,16,18,23,31-32H,5-11,15H2,1-4H3/t16-,18-,23-/m0/s1", + "name": "Alangicine", + "names": [ + "Alangicine" + ] + }, + { + "compound_id": "C09328", + "inchi": "InChI=1S/C29H37N3O3/c1-4-17-16-32-12-10-21-22(15-26(34-2)29(35-3)28(21)33)25(32)14-18(17)13-24-27-20(9-11-30-24)19-7-5-6-8-23(19)31-27/h5-8,15,17-18,24-25,30-31,33H,4,9-14,16H2,1-3H3/t17-,18-,24+,25-/m0/s1", + "name": "Alangimarckine", + "names": [ + "Alangimarckine" + ] + }, + { + "compound_id": "C09329", + "inchi": "InChI=1S/C19H16N2O3/c1-3-11-9-20-10-15-13(11)7-16-14-8-17(22)18(24-2)6-12(14)4-5-21(16)19(15)23/h3,6-10,22H,1,4-5H2,2H3", + "name": "Alangimarine", + "names": [ + "Alangimarine" + ] + }, + { + "compound_id": "C09330", + "inchi": "InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1", + "name": "Alangiside", + "names": [ + "Alangiside" + ] + }, + { + "compound_id": "C09331", + "inchi": "InChI=1S/C23H29NO6/c1-24-10-9-13-11-17(26-3)18(27-4)12-15(13)21-20(24)14-7-8-16(25-2)22(28-5)19(14)23(29-6)30-21/h7-8,11-12,20-21,23H,9-10H2,1-6H3/t20-,21+,23+/m1/s1", + "name": "Alpinine", + "names": [ + "Alpinine" + ] + }, + { + "compound_id": "C09332", + "inchi": "InChI=1S/C24H30N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,13-15,26,28H,5-10H2,(H,29,33)(H,30,36)(H,34,35)(H,38,39)(H,40,41)(H4,25,27,31,32,37)", + "name": "Tetrahydrofolyl-[Glu](2)", + "names": [ + "THF-L-glutamate", + "Tetrahydrofolyl-[Glu](2)" + ] + }, + { + "compound_id": "C09333", + "inchi": "InChI=1S/C19H19NO4/c1-20-8-14-11-5-16(21)17(22-2)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15?/m1/s1", + "name": "Amurensine", + "names": [ + "Amurensine" + ] + }, + { + "compound_id": "C09334", + "inchi": "InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1", + "name": "Amurine", + "names": [ + "Amurine" + ] + }, + { + "compound_id": "C09335", + "inchi": "InChI=1S/C25H29NO4/c1-13-10-20(29-5)25-16(8-7-9-19(25)28-4)22(13)24-17-11-14(2)26-15(3)23(17)21(30-6)12-18(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15-/m0/s1", + "name": "Ancistrocladine", + "names": [ + "Ancistrocladine" + ] + }, + { + "compound_id": "C09336", + "inchi": "InChI=1S/C22H21NO5/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4/h5-10,22H,11H2,1-4H3", + "name": "Angoline", + "names": [ + "Angoline" + ] + }, + { + "compound_id": "C09337", + "inchi": "InChI=1S/C19H29NO4/c1-4-12-11-20-7-5-14-15(16(20)9-13(12)6-8-21)10-17(23-2)19(24-3)18(14)22/h10,12-13,16,21-22H,4-9,11H2,1-3H3/t12-,13-,16-/m0/s1", + "name": "Ankorine", + "names": [ + "Ankorine" + ] + }, + { + "compound_id": "C09338", + "inchi": "InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1", + "name": "Annolobine", + "names": [ + "Annolobine", + "Anolobine" + ] + }, + { + "compound_id": "C09339", + "inchi": "InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1", + "name": "(-)-Annonaine", + "names": [ + "(-)-Annonaine", + "Anonaine" + ] + }, + { + "compound_id": "C09340", + "inchi": "InChI=1S/C18H19NO3/c1-19-6-5-11-8-15(22-2)18(21)17-13-9-12(20)4-3-10(13)7-14(19)16(11)17/h3-4,8-9,14,20-21H,5-7H2,1-2H3/t14-/m1/s1", + "name": "(-)-Apoglaziovine", + "names": [ + "(-)-Apoglaziovine" + ] + }, + { + "compound_id": "C09341", + "inchi": "InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3", + "name": "(-)-Argemonine", + "names": [ + "(-)-Argemonine", + "Argemonine" + ] + }, + { + "compound_id": "C09342", + "inchi": "InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1", + "name": "Armepavine", + "names": [ + "Armepavine" + ] + }, + { + "compound_id": "C09343", + "inchi": "InChI=1S/C19H15NO5/c1-23-13-8-10-11(7-12(13)21)18(22)17-15-9(4-5-20-17)6-14(24-2)19(25-3)16(10)15/h4-8,21H,1-3H3", + "name": "Atheroline", + "names": [ + "Atheroline" + ] + }, + { + "compound_id": "C09344", + "inchi": "InChI=1S/C15H18O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h4-5,8,10-11,13,17H,6H2,1-3H3/t8-,10-,11+,13-,15+/m0/s1", + "name": "Artemisin", + "names": [ + "Artemisin" + ] + }, + { + "compound_id": "C09345", + "inchi": "InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1", + "name": "Artemorin", + "names": [ + "Artemorin" + ] + }, + { + "compound_id": "C09346", + "inchi": "InChI=1S/C15H20O5/c1-5-4-7-8(6(2)14(18)19-7)12(16)15(3)9(5)10-11(20-10)13(15)17/h5,7-13,16-17H,2,4H2,1,3H3/t5-,7-,8-,9-,10-,11-,12+,13+,15-/m1/s1", + "name": "Autumnolide", + "names": [ + "Autumnolide" + ] + }, + { + "compound_id": "C09347", + "inchi": "InChI=1S/C18H11NO4/c1-21-16-11-6-7-19-14-12(11)13(17-18(16)23-8-22-17)9-4-2-3-5-10(9)15(14)20/h2-7H,8H2,1H3", + "name": "Atherospermidine", + "names": [ + "Atherospermidine" + ] + }, + { + "compound_id": "C09348", + "inchi": "InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3", + "name": "6,7-Dimethoxyisoquinoline", + "names": [ + "6,7-Dimethoxyisoquinoline", + "Backebergine" + ] + }, + { + "compound_id": "C09349", + "inchi": "InChI=1S/C15H20O4/c1-8-4-10(16)7-15(3)13(19-15)6-11-9(2)14(17)18-12(11)5-8/h4,10-13,16H,2,5-7H2,1,3H3/b8-4-/t10-,11-,12+,13-,15-/m1/s1", + "name": "Baileyin", + "names": [ + "Baileyin" + ] + }, + { + "compound_id": "C09350", + "inchi": "InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3/t10-,12+,14+,15+/m0/s1", + "name": "Bakkenolide A", + "names": [ + "Bakkenolide A" + ] + }, + { + "compound_id": "C09351", + "inchi": "InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1", + "name": "Budlein A", + "names": [ + "Budlein A" + ] + }, + { + "compound_id": "C09352", + "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1", + "name": "(+)-Bebeerine", + "names": [ + "(+)-Bebeerine", + "Bebeerine" + ] + }, + { + "compound_id": "C09353", + "inchi": "InChI=1S/C19H20O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h6-7,13-14,16H,1,4,8H2,2-3,5H3/b10-6-/t13-,14-,16+,19-/m1/s1", + "name": "Calaxin", + "names": [ + "Calaxin" + ] + }, + { + "compound_id": "C09354", + "inchi": "InChI=1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11-,13+,14-,15+/m0/s1", + "name": "Canin", + "names": [ + "Canin" + ] + }, + { + "compound_id": "C09355", + "inchi": "InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-12(17)14-10(3)15(18)19-13(14)6-8/h4,7,11-14,16-17H,3,5-6H2,1-2H3/b8-4+,9-7+/t11-,12-,13+,14+/m1/s1", + "name": "Chamissonin", + "names": [ + "Chamissonin" + ] + }, + { + "compound_id": "C09356", + "inchi": "InChI=1S/C19H24O6/c1-10-6-7-15(23-13(4)20)11(2)9-17(24-14(5)21)18-12(3)19(22)25-16(18)8-10/h6,9,15-18H,3,7-8H2,1-2,4-5H3/b10-6+,11-9+/t15-,16+,17-,18-/m1/s1", + "name": "Chamissonin diacetate", + "names": [ + "Chamissonin diacetate" + ] + }, + { + "compound_id": "C09357", + "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1", + "name": "Berbamine", + "names": [ + "Berbamine" + ] + }, + { + "compound_id": "C09358", + "inchi": "InChI=1S/C15H19ClO5/c1-5-7-4-8(6(2)17)15-10(9(7)20-13(5)18)14(3,19)11(16)12(15)21-15/h6-12,17,19H,1,4H2,2-3H3/t6-,7-,8-,9-,10-,11+,12+,14+,15-/m0/s1", + "name": "Chlorochrymorin", + "names": [ + "Chlorochrymorin" + ] + }, + { + "compound_id": "C09359", + "inchi": "InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15-,18+,19+/m0/s1", + "name": "Chlorohyssopifolin A", + "names": [ + "Chlorohyssopifolin A" + ] + }, + { + "compound_id": "C09360", + "inchi": "InChI=1S/C20H18NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h3-8,16,22H,9-10H2,1-2H3/q+1", + "name": "Berberastine", + "names": [ + "Berberastine" + ] + }, + { + "compound_id": "C09361", + "inchi": "InChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-/t17-,18+,19+,20+/m0/s1", + "name": "Chromolaenide", + "names": [ + "Chromolaenide" + ] + }, + { + "compound_id": "C09362", + "inchi": "InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1", + "name": "Cnicin", + "names": [ + "Cnicin" + ] + }, + { + "compound_id": "C09363", + "inchi": "InChI=1S/C15H18O5/c1-7-9-4-3-8-6-19-11-5-10(16)14(2,15(8,11)18)12(9)20-13(7)17/h8-9,11-12,18H,1,3-6H2,2H3/t8-,9+,11-,12-,14+,15+/m1/s1", + "name": "Conchosin A", + "names": [ + "Conchosin A" + ] + }, + { + "compound_id": "C09364", + "inchi": "InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1", + "name": "Bicuculline", + "names": [ + "Bicuculline" + ] + }, + { + "compound_id": "C09365", + "inchi": "InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1", + "name": "Boldine", + "names": [ + "Boldine" + ] + }, + { + "compound_id": "C09366", + "inchi": "InChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1", + "name": "Bracteoline", + "names": [ + "Bracteoline" + ] + }, + { + "compound_id": "C09367", + "inchi": "InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1", + "name": "Bulbocapnine", + "names": [ + "Bulbocapnine" + ] + }, + { + "compound_id": "C09368", + "inchi": "InChI=1S/C17H17NO2/c1-20-14-9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(15(11)13)17(14)19/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m1/s1", + "name": "(-)-Caaverine", + "names": [ + "(-)-Caaverine", + "Noraporphin-1-ol, 2-methoxy-" + ] + }, + { + "compound_id": "C09369", + "inchi": "InChI=1S/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1", + "name": "Calafatimine", + "names": [ + "Calafatimine" + ] + }, + { + "compound_id": "C09370", + "inchi": "InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36+/m1/s1", + "name": "Cancentrine", + "names": [ + "Cancentrine" + ] + }, + { + "compound_id": "C09371", + "inchi": "InChI=1S/C21H25NO5/c1-24-16-6-5-12-9-15-18-13(10-17(25-2)21(27-4)19(18)23)7-8-22(15)11-14(12)20(16)26-3/h5-6,10,15,23H,7-9,11H2,1-4H3/t15-/m0/s1", + "name": "Capaurine", + "names": [ + "Capaurine" + ] + }, + { + "compound_id": "C09372", + "inchi": "InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m1/s1", + "name": "Capnoidine", + "names": [ + "(-)-Adlumidine", + "Capnoidine" + ] + }, + { + "compound_id": "C09373", + "inchi": "InChI=1S/C17H20O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h6-7,11-12,14,21H,1,4-5,8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1", + "name": "Conchosin B", + "names": [ + "Conchosin B" + ] + }, + { + "compound_id": "C09374", + "inchi": "InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)14-9(2)16(20)22-15(14)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11-,12-,14+,15+,17-/m0/s1", + "name": "Confertiflorin", + "names": [ + "(+)-Confertiflorin", + "Confertiflorin" + ] + }, + { + "compound_id": "C09375", + "inchi": "InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1", + "name": "(+-)-Carnegine", + "names": [ + "(+-)-Carnegine", + "Carnegine" + ] + }, + { + "compound_id": "C09376", + "inchi": "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15+/m0/s1", + "name": "Confertifolin", + "names": [ + "Confertifolin" + ] + }, + { + "compound_id": "C09377", + "inchi": "InChI=1S/C20H23NO4/c1-23-16-5-4-12-6-7-21-11-14-10-18(25-3)17(24-2)9-13(14)8-15(21)19(12)20(16)22/h4-5,9-10,15,22H,6-8,11H2,1-3H3/t15-/m0/s1", + "name": "Caseadine", + "names": [ + "Caseadine" + ] + }, + { + "compound_id": "C09378", + "inchi": "InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11-,12+,15-/m0/s1", + "name": "Confertin", + "names": [ + "Confertin" + ] + }, + { + "compound_id": "C09379", + "inchi": "InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11-,13-,14+,15-/m0/s1", + "name": "Coriamyrtin", + "names": [ + "Coriamyrtin" + ] + }, + { + "compound_id": "C09380", + "inchi": "InChI=1S/C19H19NO5/c1-22-14-7-11-9(6-13(14)21)5-12-15-10(3-4-20-12)17(23-2)19-18(16(11)15)24-8-25-19/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1", + "name": "Cassythine", + "names": [ + "Cassyfiline", + "Cassythine" + ] + }, + { + "compound_id": "C09381", + "inchi": "InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1", + "name": "Coronopilin", + "names": [ + "Coronopilin" + ] + }, + { + "compound_id": "C09382", + "inchi": "InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1", + "name": "Costunolide", + "names": [ + "(+)-Costunolide", + "Costunolide" + ] + }, + { + "compound_id": "C09383", + "inchi": "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m0/s1", + "name": "alpha-Cyclocostunolide", + "names": [ + "alpha-Cyclocostunolide" + ] + }, + { + "compound_id": "C09384", + "inchi": "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1", + "name": "beta-Cyclocostunolide", + "names": [ + "beta-Cyclocostunolide" + ] + }, + { + "compound_id": "C09385", + "inchi": "InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1", + "name": "Cynaropicrin", + "names": [ + "Cynaropicrin" + ] + }, + { + "compound_id": "C09386", + "inchi": "InChI=1S/C15H20O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1", + "name": "Damsin", + "names": [ + "Damsin" + ] + }, + { + "compound_id": "C09387", + "inchi": "InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1", + "name": "Dehydrocostus lactone", + "names": [ + "Dehydrocostus lactone" + ] + }, + { + "compound_id": "C09388", + "inchi": "InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13-,14-,15+,16+/m1/s1", + "name": "Deoxyelephantopin", + "names": [ + "Deoxyelephantopin" + ] + }, + { + "compound_id": "C09389", + "inchi": "InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1", + "name": "(+)-Cassythicine", + "names": [ + "(+)-Cassythicine" + ] + }, + { + "compound_id": "C09390", + "inchi": "InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1", + "name": "Cephaeline", + "names": [ + "Cephaeline" + ] + }, + { + "compound_id": "C09391", + "inchi": "InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1", + "name": "Cepharanthine", + "names": [ + "Cepharanthine" + ] + }, + { + "compound_id": "C09392", + "inchi": "InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1", + "name": "8-Deoxylactucin", + "names": [ + "8-Deoxylactucin" + ] + }, + { + "compound_id": "C09393", + "inchi": "InChI=1S/C20H19NO6/c1-21-6-5-10-7-15(25-2)13(22)8-12(10)20(21)18(23)11-3-4-14-17(27-9-26-14)16(11)19(20)24/h3-4,7-8,19,22,24H,5-6,9H2,1-2H3/t19?,20-/m1/s1", + "name": "Corpaine", + "names": [ + "Corpaine" + ] + }, + { + "compound_id": "C09394", + "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10-,13-,14-/m0/s1", + "name": "Desacetoxymatricarin", + "names": [ + "Desacetoxymatricarin", + "Leucodin" + ] + }, + { + "compound_id": "C09395", + "inchi": "InChI=1S/C20H26O6/c1-5-14(10-21)20(24)26-16-8-11(2)6-7-15(22)12(3)9-17-18(16)13(4)19(23)25-17/h5-6,9,15-18,21-22H,4,7-8,10H2,1-3H3/b11-6+,12-9+,14-5-/t15-,16-,17-,18-/m1/s1", + "name": "Deacetyleupaserrin", + "names": [ + "Deacetyleupaserrin" + ] + }, + { + "compound_id": "C09396", + "inchi": "InChI=1S/C15H18O4/c1-9-11-4-3-10-5-6-14(2)17-8-15(10,19-14)7-12(11)18-13(9)16/h3,11-12H,1,4-8H2,2H3/t11-,12-,14+,15+/m1/s1", + "name": "Dihydrogriesenin", + "names": [ + "Dihydrogriesenin" + ] + }, + { + "compound_id": "C09397", + "inchi": "InChI=1S/C15H16O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,5,7-12H,4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12+,15+/m1/s1", + "name": "Dihydromikanolide", + "names": [ + "Dihydromikanolide" + ] + }, + { + "compound_id": "C09398", + "inchi": "InChI=1S/C18H17NO4/c1-19-5-4-10-2-3-13(20)18-17(10)12(19)6-11-7-15-16(22-9-21-15)8-14(11)23-18/h2-3,7-8,12,20H,4-6,9H2,1H3/t12-/m0/s1", + "name": "Cularicine", + "names": [ + "Cularicine" + ] + }, + { + "compound_id": "C09399", + "inchi": "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-12H,4,6-9H2,1-3H3/t11-,12+,15-/m0/s1", + "name": "Drimenin", + "names": [ + "Drimenin" + ] + }, + { + "compound_id": "C09400", + "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-11-4-5-14(21)19-18(11)13(20)8-12-9-16(22-2)17(23-3)10-15(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3/t13-/m0/s1", + "name": "Cularidine", + "names": [ + "Cularidine" + ] + }, + { + "compound_id": "C09401", + "inchi": "InChI=1S/C22H26O9/c1-10(5-6-27-12(3)24)20(25)29-15-8-22(4)19(31-22)18-17(30-18)13(9-23)7-14-16(15)11(2)21(26)28-14/h5,7,14-19,23H,2,6,8-9H2,1,3-4H3/b10-5-,13-7-/t14-,15-,16+,17+,18+,19-,22-/m1/s1", + "name": "Eleganin", + "names": [ + "Eleganin" + ] + }, + { + "compound_id": "C09402", + "inchi": "InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16-,17+,20?/m0/s1", + "name": "Elephantin", + "names": [ + "Elephantin" + ] + }, + { + "compound_id": "C09403", + "inchi": "InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12-,13+,14-,15+,19?/m0/s1", + "name": "Elephantopin", + "names": [ + "Elephantopin" + ] + }, + { + "compound_id": "C09404", + "inchi": "InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1", + "name": "Encelin", + "names": [ + "Encelin" + ] + }, + { + "compound_id": "C09405", + "inchi": "InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8+/t11-,14-,15+,16+,17+,18-,22-,23-/m1/s1", + "name": "Enhydrin", + "names": [ + "Enhydrin" + ] + }, + { + "compound_id": "C09406", + "inchi": "InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4,11-14H,2-3,5-7H2,1H3/t11-,12-,13-,14-/m0/s1", + "name": "Eremanthin", + "names": [ + "Eremanthin" + ] + }, + { + "compound_id": "C09407", + "inchi": "InChI=1S/C19H24O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,9,12-13,15,22H,8H2,1-5H3/b10-6-/t12-,13+,15+,17-,18-,19-/m1/s1", + "name": "Eremantholide A", + "names": [ + "Eremantholide", + "Eremantholide A" + ] + }, + { + "compound_id": "C09408", + "inchi": "InChI=1S/C15H20O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h7,9,12-13H,2,4-6,8H2,1,3H3/t9-,12-,13-,15+/m0/s1", + "name": "Eremofrullanolide", + "names": [ + "Eremofrullanolide" + ] + }, + { + "compound_id": "C09409", + "inchi": "InChI=1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11+,13-,15+/m0/s1", + "name": "Eremophilenolide", + "names": [ + "Eremophilenolide" + ] + }, + { + "compound_id": "C09410", + "inchi": "InChI=1S/C19H21NO4/c1-21-14-5-4-11-6-7-20-13-8-12-9-16(22-2)17(23-3)10-15(12)24-19(14)18(11)13/h4-5,9-10,13,20H,6-8H2,1-3H3/t13-/m0/s1", + "name": "Cularimine", + "names": [ + "Cularimine" + ] + }, + { + "compound_id": "C09411", + "inchi": "InChI=1S/C20H23NO4/c1-21-8-7-12-5-6-15(22-2)20-19(12)14(21)9-13-10-17(23-3)18(24-4)11-16(13)25-20/h5-6,10-11,14H,7-9H2,1-4H3/t14-/m0/s1", + "name": "Cularine", + "names": [ + "Cularine" + ] + }, + { + "compound_id": "C09412", + "inchi": "InChI=1S/C21H26O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,14-18H,1,4,8-9H2,2-3,5-6H3/b11-7-/t14-,15+,16+,17+,18-,21+/m0/s1", + "name": "Erioflorin acetate", + "names": [ + "Erioflorin acetate" + ] + }, + { + "compound_id": "C09413", + "inchi": "InChI=1S/C23H28O7/c1-11(2)20(24)27-15-9-18-23(7,30-18)10-17(29-21(25)12(3)4)19-14(6)22(26)28-16(19)8-13(15)5/h8,15-19H,1,3,6,9-10H2,2,4-5,7H3/b13-8-/t15-,16+,17+,18+,19-,23+/m0/s1", + "name": "Erioflorin methacrylate", + "names": [ + "Erioflorin methacrylate" + ] + }, + { + "compound_id": "C09414", + "inchi": "InChI=1S/C20H28O6/c1-5-11(2)19(23)26-18-16(12(3)7-6-8-21)14(10-22)9-15-17(18)13(4)20(24)25-15/h5,12,15,17-18,21-22H,4,6-10H2,1-3H3/b11-5-/t12-,15+,17+,18+/m0/s1", + "name": "Eriolangin", + "names": [ + "Eriolangin" + ] + }, + { + "compound_id": "C09415", + "inchi": "InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1", + "name": "Daphnandrine", + "names": [ + "Daphnandrine" + ] + }, + { + "compound_id": "C09416", + "inchi": "InChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1", + "name": "Eupachlorin", + "names": [ + "Eupachlorin" + ] + }, + { + "compound_id": "C09417", + "inchi": "InChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1", + "name": "Eupachlorin acetate", + "names": [ + "Eupachlorin acetate" + ] + }, + { + "compound_id": "C09418", + "inchi": "InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m1/s1", + "name": "Daphnoline", + "names": [ + "Daphnoline" + ] + }, + { + "compound_id": "C09419", + "inchi": "InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1", + "name": "Dauricine", + "names": [ + "Dauricine" + ] + }, + { + "compound_id": "C09420", + "inchi": "InChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1", + "name": "Emetamine", + "names": [ + "Emetamine" + ] + }, + { + "compound_id": "C09421", + "inchi": "InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24?,25-/m0/s1", + "name": "Emetine", + "names": [ + "Emetine" + ] + }, + { + "compound_id": "C09422", + "inchi": "InChI=1S/C17H19NO3/c1-21-16-9-14-11(8-15(16)20)4-6-18-7-5-12-2-3-13(19)10-17(12,14)18/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1", + "name": "Erysonine", + "names": [ + "Erysonine" + ] + }, + { + "compound_id": "C09423", + "inchi": "InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1", + "name": "Erysotrine", + "names": [ + "Erysotrine" + ] + }, + { + "compound_id": "C09424", + "inchi": "InChI=1S/C19H25NO4/c1-22-16-8-12-4-6-20-7-5-13-9-15(21)18(24-3)11-19(13,20)14(12)10-17(16)23-2/h8-10,15,18,21H,4-7,11H2,1-3H3/t15-,18+,19-/m0/s1", + "name": "Erythratidine", + "names": [ + "Erythratidine" + ] + }, + { + "compound_id": "C09425", + "inchi": "InChI=1S/C20H25ClO8/c1-5-8(2)16(23)27-10-6-19(25,7-21)13-12(22)15-18(4,29-15)20(13,26)14-11(10)9(3)17(24)28-14/h5,10-15,22,25-26H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19+,20-/m1/s1", + "name": "Eupachloroxin", + "names": [ + "Eupachloroxin" + ] + }, + { + "compound_id": "C09426", + "inchi": "InChI=1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3", + "name": "Eschscholtzidine", + "names": [ + "(5S)-5,6,11,12-Tetrahydro-8,9-dimethoxy-14-methyl-benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine", + "Eschscholtzidine" + ] + }, + { + "compound_id": "C09427", + "inchi": "InChI=1S/C22H28O7/c1-7-11(2)21(25)28-18-8-12(3)16(24)10-17(27-15(6)23)13(4)9-19-20(18)14(5)22(26)29-19/h7-9,16-20,24H,5,10H2,1-4,6H3/b11-7-,12-8-,13-9-/t16-,17-,18+,19+,20+/m0/s1", + "name": "Eupacunin", + "names": [ + "Eupacunin" + ] + }, + { + "compound_id": "C09428", + "inchi": "InChI=1S/C22H28O8/c1-6-11(2)21(26)29-18-7-12(3)16(25)9-17(28-14(5)24)15(10-23)8-19-20(18)13(4)22(27)30-19/h6-8,16-20,23,25H,4,9-10H2,1-3,5H3/b11-6-,12-7-,15-8-/t16-,17-,18+,19+,20+/m0/s1", + "name": "Eupacunolin", + "names": [ + "Eupacunolin" + ] + }, + { + "compound_id": "C09429", + "inchi": "InChI=1S/C22H28O8/c1-10-7-18(29-21(26)22(6)13(4)30-22)19-12(3)20(25)28-17(19)8-11(2)16(9-15(10)24)27-14(5)23/h7-8,13,15-19,24H,3,9H2,1-2,4-6H3/b10-7-,11-8-/t13-,15+,16+,17-,18-,19+,22-/m1/s1", + "name": "Eupacunoxin", + "names": [ + "Eupacunoxin" + ] + }, + { + "compound_id": "C09430", + "inchi": "InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1", + "name": "Fagaridine", + "names": [ + "Fagaridine" + ] + }, + { + "compound_id": "C09431", + "inchi": "InChI=1S/C17H22O5/c1-9-5-6-14(21-12(4)18)10(2)8-15-16(13(19)7-9)11(3)17(20)22-15/h5,8,13-16,19H,3,6-7H2,1-2,4H3/b9-5+,10-8-/t13-,14-,15-,16-/m1/s1", + "name": "Eupaformonin", + "names": [ + "Eupaformonin" + ] + }, + { + "compound_id": "C09432", + "inchi": "InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18-,19-,20-/m1/s1", + "name": "Eupaformosanin", + "names": [ + "Eupaformosanin" + ] + }, + { + "compound_id": "C09433", + "inchi": "InChI=1S/C20H26O7/c1-11-5-4-7-20(10-22)17(27-20)16-15(13(3)19(24)26-16)14(9-11)25-18(23)12(2)6-8-21/h5-6,14-17,21-22H,3-4,7-10H2,1-2H3/b11-5+,12-6+/t14-,15-,16+,17-,20+/m1/s1", + "name": "Eupahyssopin", + "names": [ + "Eupahyssopin" + ] + }, + { + "compound_id": "C09434", + "inchi": "InChI=1S/C20H24O7/c1-5-9(2)17(22)26-13-7-19(8-25-19)15-12(21)6-10(3)20(15,24)16-14(13)11(4)18(23)27-16/h5-6,12-16,21,24H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1", + "name": "Euparotin", + "names": [ + "Euparotin" + ] + }, + { + "compound_id": "C09435", + "inchi": "InChI=1S/C22H26O8/c1-6-10(2)19(24)29-15-8-21(9-27-21)17-14(28-13(5)23)7-11(3)22(17,26)18-16(15)12(4)20(25)30-18/h6-7,14-18,26H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1", + "name": "Euparotin acetate", + "names": [ + "Euparotin acetate" + ] + }, + { + "compound_id": "C09436", + "inchi": "InChI=1S/C22H28O7/c1-6-16(11-27-15(5)23)22(26)29-19-10-13(3)8-17(24)7-12(2)9-18-20(19)14(4)21(25)28-18/h6,8-9,17-20,24H,4,7,10-11H2,1-3,5H3/b12-9+,13-8+,16-6-/t17-,18+,19+,20-/m0/s1", + "name": "Eupaserrin", + "names": [ + "Eupaserrin" + ] + }, + { + "compound_id": "C09437", + "inchi": "InChI=1S/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3/b11-7-,12-8+,13-10-/t16-,17+,18-,19?,20-/m0/s1", + "name": "Eupatocunin", + "names": [ + "Eupatocunin" + ] + }, + { + "compound_id": "C09438", + "inchi": "InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1", + "name": "Fagaronine", + "names": [ + "Fagaronine" + ] + }, + { + "compound_id": "C09439", + "inchi": "InChI=1S/C22H28O8/c1-10-7-8-15(27-14(5)23)11(2)9-16-17(12(3)20(25)28-16)18(24)19(10)29-21(26)22(6)13(4)30-22/h7,9,13,15-19,24H,3,8H2,1-2,4-6H3/b10-7+,11-9-/t13-,15+,16-,17+,18?,19?,22-/m1/s1", + "name": "Eupatocunoxin", + "names": [ + "Eupatocunoxin" + ] + }, + { + "compound_id": "C09440", + "inchi": "InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13-,14-/m1/s1", + "name": "Eupatolide", + "names": [ + "Eupatolide" + ] + }, + { + "compound_id": "C09441", + "inchi": "InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1", + "name": "Fetidine", + "names": [ + "Fetidine" + ] + }, + { + "compound_id": "C09442", + "inchi": "InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6+,15-7+/t16-,17-,18+/m1/s1", + "name": "Eupatoriopicrin", + "names": [ + "Eupatoriopicrin" + ] + }, + { + "compound_id": "C09443", + "inchi": "InChI=1S/C20H24O8/c1-5-8(2)16(22)26-10-6-19(7-25-19)13-12(21)15-18(4,28-15)20(13,24)14-11(10)9(3)17(23)27-14/h5,10-15,21,24H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19+,20-/m1/s1", + "name": "Eupatoroxin", + "names": [ + "Eupatoroxin" + ] + }, + { + "compound_id": "C09444", + "inchi": "InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3/t20-,21+/m0/s1", + "name": "Fumaricine", + "names": [ + "Fumaricine" + ] + }, + { + "compound_id": "C09445", + "inchi": "InChI=1S/C13H19NO3/c1-8-10-7-11(16-3)13(17-4)12(15)9(10)5-6-14(8)2/h7-8,15H,5-6H2,1-4H3/t8-/m0/s1", + "name": "Gigantine", + "names": [ + "Gigantine" + ] + }, + { + "compound_id": "C09446", + "inchi": "InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1", + "name": "Glaucine", + "names": [ + "Glaucine" + ] + }, + { + "compound_id": "C09447", + "inchi": "InChI=1S/C20H24O8/c1-5-8(2)16(22)26-10-6-19(7-25-19)13-12(21)15-18(4,28-15)20(13,24)14-11(10)9(3)17(23)27-14/h5,10-15,21,24H,3,6-7H2,1-2,4H3/b8-5-/t10-,11-,12+,13+,14+,15-,18-,19-,20-/m1/s1", + "name": "10-epi-Eupatoroxin", + "names": [ + "10-epi-Eupatoroxin" + ] + }, + { + "compound_id": "C09448", + "inchi": "InChI=1S/C20H24O7/c1-6-8(2)17(22)25-11-7-9(3)13-14(21)16-19(5,27-16)20(13,24)15-12(11)10(4)18(23)26-15/h6,11-16,21,24H,3-4,7H2,1-2,5H3/b8-6-/t11-,12-,13-,14+,15+,16-,19-,20-/m1/s1", + "name": "Eupatundin", + "names": [ + "Eupatundin" + ] + }, + { + "compound_id": "C09449", + "inchi": "InChI=1S/C20H24O6/c1-5-9(2)18(22)24-13-6-11(8-21)12-7-14-20(4,26-14)16(12)17-15(13)10(3)19(23)25-17/h5,13-17,21H,3,6-8H2,1-2,4H3/b9-5-/t13-,14-,15-,16+,17+,20-/m1/s1", + "name": "Euponin", + "names": [ + "Euponin" + ] + }, + { + "compound_id": "C09450", + "inchi": "InChI=1S/C15H18O4/c1-8-9-6-10-12(19-13(17)15(10,3)18)7-14(9,2)5-4-11(8)16/h4-5,9-10,12,18H,1,6-7H2,2-3H3/t9-,10-,12+,14+,15+/m0/s1", + "name": "Farinosin", + "names": [ + "Farinosin" + ] + }, + { + "compound_id": "C09451", + "inchi": "InChI=1S/C20H26O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10-12,15-18,23H,1-5H3/t10-,11-,12-,15+,16+,17-,18-,20-/m0/s1", + "name": "Fastigilin B", + "names": [ + "Fastigilin B" + ] + }, + { + "compound_id": "C09452", + "inchi": "InChI=1S/C20H24O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15-18,23H,4H2,1-3,5H3/t10-,12-,15+,16+,17-,18-,20-/m0/s1", + "name": "Fastigilin C", + "names": [ + "Fastigilin C" + ] + }, + { + "compound_id": "C09453", + "inchi": "InChI=1S/C15H20O4/c1-7-4-12-9(8(2)14(17)19-12)5-10-13(7)11(16)6-15(10,3)18/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13-,15-/m1/s1", + "name": "Florilenalin", + "names": [ + "Florilenalin" + ] + }, + { + "compound_id": "C09454", + "inchi": "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11,13H,2,4-8H2,1,3H3/t11-,13+,15+/m0/s1", + "name": "Frullanolide", + "names": [ + "Frullanolide" + ] + }, + { + "compound_id": "C09455", + "inchi": "InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15-,17-/m1/s1", + "name": "Gaillardin", + "names": [ + "Gaillardin" + ] + }, + { + "compound_id": "C09456", + "inchi": "InChI=1S/C15H20O4/c1-6-4-11-13(8(3)15(18)19-11)14(17)12-7(2)10(16)5-9(6)12/h6,8-9,11,13-14,17H,4-5H2,1-3H3/t6-,8-,9+,11+,13+,14+/m0/s1", + "name": "Geigerin", + "names": [ + "Geigerin" + ] + }, + { + "compound_id": "C09457", + "inchi": "InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3/t13-/m1/s1", + "name": "Glaziovine", + "names": [ + "Glaziovine" + ] + }, + { + "compound_id": "C09458", + "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)17-23-8-11-31(41-3)33(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)19-30(40)36(43-5)37(35)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1", + "name": "Gyrocarpine", + "names": [ + "Gyrocarpine" + ] + }, + { + "compound_id": "C09459", + "inchi": "InChI=1S/C21H27NO5/c1-22-11-10-20-12-14(23)17(25-3)19(27-5)21(20,22)9-8-13-6-7-15(24-2)18(26-4)16(13)20/h6-7H,8-12H2,1-5H3/t20-,21+/m0/s1", + "name": "Hasubanonine", + "names": [ + "Hasubanonine" + ] + }, + { + "compound_id": "C09460", + "inchi": "InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3", + "name": "Heliamine", + "names": [ + "Heliamine" + ] + }, + { + "compound_id": "C09461", + "inchi": "InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1", + "name": "Hernandezine", + "names": [ + "Hernandezine" + ] + }, + { + "compound_id": "C09462", + "inchi": "InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m1/s1", + "name": "(-)-alpha-Hydrastine", + "names": [ + "(-)-alpha-Hydrastine" + ] + }, + { + "compound_id": "C09463", + "inchi": "InChI=1S/C23H28O10/c1-11(2)20(27)30-15-9-23(6,32-13(4)25)16(26)7-8-22(5)19(33-22)18-17(15)14(21(28)31-18)10-29-12(3)24/h15,18-19H,1,7-10H2,2-6H3/t15-,18-,19+,22+,23+/m0/s1", + "name": "Glaucolide A", + "names": [ + "Glaucolide A" + ] + }, + { + "compound_id": "C09464", + "inchi": "InChI=1S/C27H35NO12/c1-4-14-16(8-18-15-9-20(32)19(31)7-13(15)5-6-28(18)12(2)30)17(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)21(10-29)39-27/h4,7,9,11,14,16,18,21-24,26-27,29,31-35H,1,5-6,8,10H2,2-3H3/t14-,16+,18-,21-,22-,23+,24-,26+,27+/m1/s1", + "name": "Ipecoside", + "names": [ + "Ipecoside" + ] + }, + { + "compound_id": "C09465", + "inchi": "InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1", + "name": "Glaucolide B", + "names": [ + "Glaucolide B" + ] + }, + { + "compound_id": "C09466", + "inchi": "InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,14H,4-5,8-9H2,1-3H3/b10-7+,11-6+", + "name": "Glechomanolide", + "names": [ + "Glechomanolide" + ] + }, + { + "compound_id": "C09467", + "inchi": "InChI=1S/C19H20O7/c1-9(2)17(22)24-13-5-11(8-20)12-6-15(21)19(4,26-12)7-14-16(13)10(3)18(23)25-14/h5-6,13-14,16,20H,1,3,7-8H2,2,4H3/b11-5-/t13-,14+,16+,19-/m1/s1", + "name": "Goyazensolide", + "names": [ + "Goyazensolide" + ] + }, + { + "compound_id": "C09468", + "inchi": "InChI=1S/C25H34O7/c1-8-13(3)21(26)30-17-12-24(6,29)16-11-10-15(5)18(16)20-19(17)25(7,23(28)31-20)32-22(27)14(4)9-2/h8-10,16-20,29H,11-12H2,1-7H3/b13-8-,14-9-/t16-,17-,18+,19+,20-,24-,25-/m0/s1", + "name": "Gradolide", + "names": [ + "Gradolide" + ] + }, + { + "compound_id": "C09469", + "inchi": "InChI=1S/C22H26O9/c1-9(5-6-27-11(3)23)19(25)29-12-7-22(8-28-22)14-15(21(4)18(31-21)16(14)24)17-13(12)10(2)20(26)30-17/h5,12-18,24H,2,6-8H2,1,3-4H3/b9-5-/t12-,13-,14+,15+,16+,17+,18-,21+,22+/m1/s1", + "name": "Graminiliatrin", + "names": [ + "Graminiliatrin" + ] + }, + { + "compound_id": "C09470", + "inchi": "InChI=1S/C15H20O4/c1-7-9-4-10-8(2)11(16)5-13(17)15(10,3)6-12(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m1/s1", + "name": "Granilin", + "names": [ + "Granilin" + ] + }, + { + "compound_id": "C09471", + "inchi": "InChI=1S/C16H16O5/c1-21-12-8-14(19)16(15(20)9-12)13(18)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3", + "name": "Asebogenin", + "names": [ + "Asebogenin", + "Phloretin 4'-methyl ether" + ] + }, + { + "compound_id": "C09472", + "inchi": "InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1", + "name": "Grosshemin", + "names": [ + "Grosshemin" + ] + }, + { + "compound_id": "C09473", + "inchi": "InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1", + "name": "Helenalin", + "names": [ + "Helenalin" + ] + }, + { + "compound_id": "C09474", + "inchi": "InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1", + "name": "Heliangin", + "names": [ + "Heliangin" + ] + }, + { + "compound_id": "C09475", + "inchi": "InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7+/t17-,18+,19+,20+/m0/s1", + "name": "Hiyodorilactone A", + "names": [ + "Hiyodorilactone A" + ] + }, + { + "compound_id": "C09476", + "inchi": "InChI=1S/C15H18O3/c1-8-6-7-15(17)10(3)14(16)18-13(15)12-9(2)4-5-11(8)12/h11-13,17H,1-7H2/t11-,12-,13+,15+/m0/s1", + "name": "7alpha-Hydroxydehydrocostus lactone", + "names": [ + "7alpha-Hydroxydehydrocostus lactone" + ] + }, + { + "compound_id": "C09477", + "inchi": "InChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2/b11-5-/t12-,13+,14-,15+,18-,19-/m1/s1", + "name": "Hydroxyvernolide", + "names": [ + "Hydroxyvernolide" + ] + }, + { + "compound_id": "C09478", + "inchi": "InChI=1S/C22H26O10/c1-29-21-13(25)6-11(14-5-3-10-2-4-12(24)8-15(10)30-14)7-16(21)31-22-20(28)19(27)18(26)17(9-23)32-22/h2,4,6-8,14,17-20,22-28H,3,5,9H2,1H3/t14-,17+,18+,19-,20+,22+/m0/s1", + "name": "Auriculoside", + "names": [ + "7,3',5'-Trihydroxy-4'-methoxyflavan 3'-glucoside", + "Auriculoside" + ] + }, + { + "compound_id": "C09479", + "inchi": "InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1", + "name": "Betagarin", + "names": [ + "5,2'-Dimethoxy-6,7-methylenedioxyflavanone", + "Betagarin" + ] + }, + { + "compound_id": "C09480", + "inchi": "InChI=1S/C15H20O5/c1-8-5-11-10(15(19,7-16)13(18)20-11)6-14(2)9(8)3-4-12(14)17/h3-4,8-11,16,19H,5-7H2,1-2H3/t8-,9+,10+,11-,14+,15?/m1/s1", + "name": "Hymenoflorin", + "names": [ + "Hymenoflorin" + ] + }, + { + "compound_id": "C09481", + "inchi": "InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-10,12,18H,4-5H2,1-3H3/t8-,9+,10-,12+,14-,15+/m0/s1", + "name": "Hymenolin", + "names": [ + "Hymenolin" + ] + }, + { + "compound_id": "C09482", + "inchi": "InChI=1S/C15H22O5/c1-7-4-11-9(8(2)13(17)19-11)6-15(3)10(7)5-12(16)20-14(15)18/h7,9-12,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,11-,12-,14-,15+/m1/s1", + "name": "Hymenoxon", + "names": [ + "Hymenoxon" + ] + }, + { + "compound_id": "C09483", + "inchi": "InChI=1S/C17H24O5/c1-9-8-14-15(11(3)17(20)22-14)16(19)10(2)13(9)6-5-7-21-12(4)18/h10,14-16,19H,3,5-8H2,1-2,4H3/t10-,14-,15-,16-/m1/s1", + "name": "Inulicin", + "names": [ + "Inulicin" + ] + }, + { + "compound_id": "C09484", + "inchi": "InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1", + "name": "Isoalantolactone", + "names": [ + "Isoalantolactone" + ] + }, + { + "compound_id": "C09485", + "inchi": "InChI=1S/C15H18O5/c1-7-5-10-12(8(6-16)14(19)20-10)13(18)15(2)9(7)3-4-11(15)17/h3-4,7,9-10,13,16,18H,5-6H2,1-2H3/t7-,9+,10-,13+,15+/m1/s1", + "name": "Isohelenol", + "names": [ + "Isohelenol" + ] + }, + { + "compound_id": "C09486", + "inchi": "InChI=1S/C22H30O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h7-8,14-18,26H,9-10H2,1-6H3/b11-7-/t14-,15-,16+,17+,18-,21-,22-/m0/s1", + "name": "Isomontanolide", + "names": [ + "Isomontanolide" + ] + }, + { + "compound_id": "C09487", + "inchi": "InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11+,12+,14-,15-,17+/m1/s1", + "name": "Isotenulin", + "names": [ + "Isotenulin" + ] + }, + { + "compound_id": "C09488", + "inchi": "InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1", + "name": "Ivalin", + "names": [ + "Ivalin" + ] + }, + { + "compound_id": "C09489", + "inchi": "InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12+,13-,14-/m0/s1", + "name": "Lactucin", + "names": [ + "Lactucin" + ] + }, + { + "compound_id": "C09490", + "inchi": "InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1", + "name": "Lactupicrin", + "names": [ + "Lactupicrin" + ] + }, + { + "compound_id": "C09491", + "inchi": "InChI=1S/C22H30O6/c1-7-15(4)20(24)28-22(6)19-17(26-16(5)23)11-13(2)9-8-10-14(3)12-18(19)27-21(22)25/h7,9,12,17-19H,8,10-11H2,1-6H3/b13-9+,14-12+,15-7-/t17-,18-,19+,22-/m0/s1", + "name": "Laserolide", + "names": [ + "Laserolide" + ] + }, + { + "compound_id": "C09492", + "inchi": "InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,14-16H,3,5-6,9H2,1-2,4H3/b10-8+,11-7+/t14-,15+,16+/m1/s1", + "name": "Laurenobiolide", + "names": [ + "Laurenobiolide" + ] + }, + { + "compound_id": "C09493", + "inchi": "InChI=1S/C22H26O8/c1-6-15(11-27-14(4)23)20(25)29-17-10-21(5)7-8-22(26,30-21)12(2)9-16-18(17)13(3)19(24)28-16/h6-9,16-18,26H,3,10-11H2,1-2,4-5H3/b12-9-,15-6-/t16-,17-,18+,21+,22-/m1/s1", + "name": "Liatrin", + "names": [ + "Liatrin" + ] + }, + { + "compound_id": "C09494", + "inchi": "InChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1", + "name": "Ligulatin B", + "names": [ + "Incanin", + "Ligulatin B" + ] + }, + { + "compound_id": "C09495", + "inchi": "InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1", + "name": "Linderane", + "names": [ + "Linderane" + ] + }, + { + "compound_id": "C09496", + "inchi": "InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15-,17+/m1/s1", + "name": "Linifolin A", + "names": [ + "Linifolin A" + ] + }, + { + "compound_id": "C09497", + "inchi": "InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14+,15?,17-/m1/s1", + "name": "Lipiferolide", + "names": [ + "Lipiferolide" + ] + }, + { + "compound_id": "C09498", + "inchi": "InChI=1S/C15H20O4/c1-7-8-4-5-14(2)9(16)6-10-15(3,19-10)12(14)11(8)18-13(7)17/h8-12,16H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,14-,15+/m0/s1", + "name": "Ludovicin A", + "names": [ + "Ludovicin A" + ] + }, + { + "compound_id": "C09499", + "inchi": "InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3/t9-,12-,13+,14-,15-,17+/m0/s1", + "name": "Matricin", + "names": [ + "Matricin" + ] + }, + { + "compound_id": "C09500", + "inchi": "InChI=1S/C21H24O9/c1-8-6-12-14(9(2)18(23)28-12)17(29-20(25)21(4)10(3)30-21)15(22)11(19(24)26-5)7-13-16(8)27-13/h6-7,10,12-17,22H,2H2,1,3-5H3/b8-6+,11-7+/t10-,12-,13-,14+,15+,16+,17+,21-/m1/s1", + "name": "Melampodin A", + "names": [ + "Melampodin A" + ] + }, + { + "compound_id": "C09501", + "inchi": "InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8+,15-9+/t12-,16+,17+,18-,19-,20-,21-,25+/m0/s1", + "name": "Melampodinin", + "names": [ + "Melampodinin" + ] + }, + { + "compound_id": "C09502", + "inchi": "InChI=1S/C15H18O7/c1-5(2)14(18)6-11(17)22-8(14)7(16)12(3)13(4-20-13)9-10(21-9)15(6,12)19/h6-10,16,18-19H,1,4H2,2-3H3/t6-,7+,8-,9+,10-,12-,13+,14+,15-/m0/s1", + "name": "Mellitoxin", + "names": [ + "Hyenanchin", + "Mellitoxin" + ] + }, + { + "compound_id": "C09503", + "inchi": "InChI=1S/C14H16O3/c1-7-5-13-10(8(2)14(16)17-13)6-11-9(7)3-4-12(11)15/h3-4,7,9-11,13H,2,5-6H2,1H3/t7-,9+,10-,11-,13-/m1/s1", + "name": "Mexicanin E", + "names": [ + "Mexicanin E" + ] + }, + { + "compound_id": "C09504", + "inchi": "InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13-,15+/m1/s1", + "name": "Mexicanin I", + "names": [ + "Mexicanin I" + ] + }, + { + "compound_id": "C09505", + "inchi": "InChI=1S/C16H16O3/c1-18-14-7-3-11(4-8-14)15-9-5-12-2-6-13(17)10-16(12)19-15/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1", + "name": "Broussin", + "names": [ + "7-Hydroxy-4'-methoxyflavan", + "Broussin" + ] + }, + { + "compound_id": "C09506", + "inchi": "InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(18-14)5-7-15(3)12(19-15)11(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14+,15+/m0/s1", + "name": "Michelenolide", + "names": [ + "Michelenolide" + ] + }, + { + "compound_id": "C09507", + "inchi": "InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1", + "name": "Micheliolide", + "names": [ + "Micheliolide" + ] + }, + { + "compound_id": "C09508", + "inchi": "InChI=1S/C15H18O4/c1-7-3-10-9(8(2)14(17)19-10)5-15-6-18-11(13(7)15)4-12(15)16/h7,9-11,13H,2-6H2,1H3/t7-,9-,10-,11-,13-,15+/m1/s1", + "name": "Microhelenin A", + "names": [ + "Microhelenin A" + ] + }, + { + "compound_id": "C09509", + "inchi": "InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6+/t11-,12+,13+,14-,16-,17+,20+/m1/s1", + "name": "Microhelenin C", + "names": [ + "Microhelenin C" + ] + }, + { + "compound_id": "C09510", + "inchi": "InChI=1S/C29H34O7/c1-12-7-19-23(24(32)27(4)17(12)5-6-20(27)30)29(26(34)36-19)10-15-9-21(31)28(29)11-16-14(3)25(33)35-18(16)8-13(2)22(15)28/h5-6,12-13,15-19,22-24,32H,3,7-11H2,1-2,4H3/t12-,13-,15-,16-,17+,18-,19-,22-,23-,24+,27+,28-,29-/m1/s1", + "name": "Microlenin", + "names": [ + "Microlenin" + ] + }, + { + "compound_id": "C09511", + "inchi": "InChI=1S/C15H14O6/c1-5-9-7-3-6(14(17)18-7)10-11(20-10)12-15(2,21-12)4-8(9)19-13(5)16/h3,7-12H,1,4H2,2H3/t7-,8+,9+,10-,11-,12+,15+/m1/s1", + "name": "Mikanolide", + "names": [ + "Mikanolide" + ] + }, + { + "compound_id": "C09512", + "inchi": "InChI=1S/C19H22O6/c1-9(2)18(22)24-14-7-10(3)6-13(20)8-11(4)16(21)17-15(14)12(5)19(23)25-17/h6,8,14-17,21H,1,5,7H2,2-4H3/b10-6+,11-8-/t14-,15+,16-,17-/m0/s1", + "name": "Molephantin", + "names": [ + "Molephantin" + ] + }, + { + "compound_id": "C09513", + "inchi": "InChI=1S/C20H24O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)9-12(4)17(22)18-16(15)13(5)20(24)26-18/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7+,11-6+,12-9-/t15-,16+,17-,18-/m0/s1", + "name": "Molephantinin", + "names": [ + "Molephantinin" + ] + }, + { + "compound_id": "C09514", + "inchi": "InChI=1S/C20H24O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14-17,22H,4H2,1-3,5H3/b9-6-/t10-,12-,14+,15+,16-,17-,20-/m0/s1", + "name": "Multigilin", + "names": [ + "Multigilin" + ] + }, + { + "compound_id": "C09515", + "inchi": "InChI=1S/C20H22O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15,17-18H,4H2,1-3,5H3/t10-,12-,15+,17-,18-,20-/m0/s1", + "name": "Multiradiatin", + "names": [ + "Multiradiatin" + ] + }, + { + "compound_id": "C09516", + "inchi": "InChI=1S/C20H22O6/c1-6-9(2)18(23)26-17-14-11(4)19(24)25-16(14)15(22)10(3)12-7-8-13(21)20(12,17)5/h6-8,10,12,14,16-17H,4H2,1-3,5H3/b9-6+/t10-,12-,14+,16-,17-,20-/m0/s1", + "name": "Multistatin", + "names": [ + "Multistatin" + ] + }, + { + "compound_id": "C09517", + "inchi": "InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14-,15+,16+,19-,20-/m1/s1", + "name": "Niveusin C", + "names": [ + "Niveusin C" + ] + }, + { + "compound_id": "C09518", + "inchi": "InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10-/t15-,16-,17+,18+/m0/s1", + "name": "Nobilin", + "names": [ + "Nobilin" + ] + }, + { + "compound_id": "C09519", + "inchi": "InChI=1S/C14H20O2/c1-9-3-6-12-10(7-9)4-5-11-8-16-13(15)14(11,12)2/h4-5,9-12H,3,6-8H2,1-2H3/t9-,10-,11+,12-,14-/m0/s1", + "name": "Oblongolide", + "names": [ + "Oblongolide" + ] + }, + { + "compound_id": "C09520", + "inchi": "InChI=1S/C19H24O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,15-17,20-21H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17+/m0/s1", + "name": "Onopordopicrin", + "names": [ + "Onopordopicrin" + ] + }, + { + "compound_id": "C09521", + "inchi": "InChI=1S/C19H26O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,9,12-15,20,23H,4,7-8H2,1-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1", + "name": "Orizabin", + "names": [ + "Orizabin" + ] + }, + { + "compound_id": "C09522", + "inchi": "InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-14(19)16-11(2)17(20)22-15(16)7-10/h6-7,14-16,19H,2,4-5,8-9H2,1,3H3/b10-7+,13-6-/t14-,15-,16-/m1/s1", + "name": "Ovatifolin", + "names": [ + "Ovatifolin" + ] + }, + { + "compound_id": "C09523", + "inchi": "InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1", + "name": "Parthenin", + "names": [ + "Parthenin" + ] + }, + { + "compound_id": "C09524", + "inchi": "InChI=1S/C20H24O3/c1-14(2)6-8-17-10-15(7-9-20(17)23)4-3-5-16-11-18(21)13-19(22)12-16/h6-7,9-13,21-23H,3-5,8H2,1-2H3", + "name": "Broussonin C", + "names": [ + "Broussonin C" + ] + }, + { + "compound_id": "C09525", + "inchi": "InChI=1S/C23H32O10/c1-9-5-13-12(10(2)21(29)31-13)7-23(4)16(25)6-14(17(9)23)32-22-20(28)19(27)18(26)15(33-22)8-30-11(3)24/h9,12-15,17-20,22,26-28H,2,5-8H2,1,3-4H3/t9-,12-,13-,14?,15-,17-,18-,19+,20-,22?,23-/m1/s1", + "name": "Paucin", + "names": [ + "Paucin" + ] + }, + { + "compound_id": "C09526", + "inchi": "InChI=1S/C17H22O7/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-14(13)15-17(4,23-15)6-5-11(8)24-20/h11-15,20H,1-2,5-7H2,3-4H3/t11-,12-,13-,14+,15-,17-/m1/s1", + "name": "1-Peroxyferolide", + "names": [ + "1-Peroxyferolide" + ] + }, + { + "compound_id": "C09527", + "inchi": "InChI=1S/C21H26O6/c1-7-24-21-9-12(4)8-15(25-19(22)11(2)3)16-14(6)20(23)26-18(16)17(27-21)13(5)10-21/h9-10,15-18H,2,6-8H2,1,3-5H3/t15-,16+,17-,18-,21-/m0/s1", + "name": "Phantomolin", + "names": [ + "Phantomolin" + ] + }, + { + "compound_id": "C09528", + "inchi": "InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1", + "name": "Picrotin", + "names": [ + "Picrotin" + ] + }, + { + "compound_id": "C09529", + "inchi": "InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1", + "name": "Picrotoxinin", + "names": [ + "Picrotoxinin" + ] + }, + { + "compound_id": "C09530", + "inchi": "InChI=1S/C15H20O4/c1-7-4-12-9(8(2)14(17)19-12)5-10-13(7)11(16)6-15(10,3)18/h4,9-13,16,18H,2,5-6H2,1,3H3/t9-,10-,11+,12-,13-,15-/m1/s1", + "name": "Pleniradin", + "names": [ + "Pleniradin" + ] + }, + { + "compound_id": "C09531", + "inchi": "InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8+,9+,10-,12-,13+,15+/m1/s1", + "name": "Plenolin", + "names": [ + "Plenolin" + ] + }, + { + "compound_id": "C09532", + "inchi": "InChI=1S/C23H32O8/c1-11(2)20(26)28-16-10-22(6,30-13(4)24)15-9-8-12(3)17(15)19-18(16)23(7,21(27)29-19)31-14(5)25/h8,11,15-19H,9-10H2,1-7H3/t15-,16+,17-,18-,19+,22+,23+/m1/s1", + "name": "Polhovolide", + "names": [ + "Polhovolide" + ] + }, + { + "compound_id": "C09533", + "inchi": "InChI=1S/C27H34O10/c1-6-19(13-29)26(32)34-14-20(9-10-28)27(33)37-22-11-15(2)7-8-21(35-18(5)30)16(3)12-23-24(22)17(4)25(31)36-23/h6-7,9,12,21-24,28-29H,4,8,10-11,13-14H2,1-3,5H3/b15-7+,16-12-,19-6+,20-9+/t21-,22+,23+,24+/m0/s1", + "name": "Provincialin", + "names": [ + "Provincialin" + ] + }, + { + "compound_id": "C09534", + "inchi": "InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15-/m1/s1", + "name": "Pseudoivalin", + "names": [ + "Pseudoivalin" + ] + }, + { + "compound_id": "C09535", + "inchi": "InChI=1S/C20H28O6/c1-6-14(4)19(23)25-16(9-12(2)7-8-21)18-15(5)20(24)26-17(18)10-13(3)11-22/h6-7,10,16-18,21-22H,5,8-9,11H2,1-4H3/b12-7+,13-10+,14-6-/t16-,17-,18-/m1/s1", + "name": "Pycnolide", + "names": [ + "Pycnolide" + ] + }, + { + "compound_id": "C09536", + "inchi": "InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7+/t12-,13+,14-,15+,17-/m1/s1", + "name": "Pyrethrosin", + "names": [ + "Pyrethrosin" + ] + }, + { + "compound_id": "C09537", + "inchi": "InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3/t8-,9+,10?,11+,15-/m0/s1", + "name": "Quadrone", + "names": [ + "Quadrone" + ] + }, + { + "compound_id": "C09538", + "inchi": "InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1", + "name": "Qing Hau Sau", + "names": [ + "Artemisinin", + "Qing Hau Sau" + ] + }, + { + "compound_id": "C09539", + "inchi": "InChI=1S/C19H24O6/c1-8(2)17(22)25-16-13-10(4)18(23)24-15(13)14(21)9(3)11-6-7-12(20)19(11,16)5/h6-7,9-11,13-16,21H,1H2,2-5H3/t9-,10-,11-,13+,14+,15-,16-,19-/m0/s1", + "name": "Radiatin", + "names": [ + "Radiatin" + ] + }, + { + "compound_id": "C09540", + "inchi": "InChI=1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6+/t11-,12+,13-,14+/m0/s1", + "name": "Ridentin", + "names": [ + "Ridentin" + ] + }, + { + "compound_id": "C09541", + "inchi": "InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1", + "name": "(S)-Isoboldine", + "names": [ + "(+)-Isoboldine", + "(S)-Isoboldine", + "2,10-Dimethoxy-6aalpha-aporphine-1,9-diol", + "Isoboldine" + ] + }, + { + "compound_id": "C09542", + "inchi": "InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1", + "name": "Salonitenolide", + "names": [ + "Salonitenolide" + ] + }, + { + "compound_id": "C09543", + "inchi": "InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3/t27-,28-/m1/s1", + "name": "Isochondrodendrine", + "names": [ + "Isochondrodendrine" + ] + }, + { + "compound_id": "C09544", + "inchi": "InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1", + "name": "Santamarin", + "names": [ + "Santamarin" + ] + }, + { + "compound_id": "C09545", + "inchi": "InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13+,15+/m1/s1", + "name": "beta-Santonin", + "names": [ + "beta-Santonin" + ] + }, + { + "compound_id": "C09546", + "inchi": "InChI=1S/C18H23NO2/c1-20-15-5-3-13-7-9-19-10-8-14-4-6-16(21-2)12-18(14,19)17(13)11-15/h3-6,11,14,16H,7-10,12H2,1-2H3/t14-,16-,18-/m0/s1", + "name": "Isococculidine", + "names": [ + "Erythrinan, 1,2-didehydro-3,15-dimethoxy-, (3-beta)-", + "Isococculidine" + ] + }, + { + "compound_id": "C09547", + "inchi": "InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2", + "name": "Saupirin", + "names": [ + "Saupirin" + ] + }, + { + "compound_id": "C09548", + "inchi": "InChI=1S/C16H20O4/c1-10-5-4-6-12(16(18)19-3)7-8-13-11(2)15(17)20-14(13)9-10/h5,7,13-14H,2,4,6,8-9H2,1,3H3/b10-5+,12-7-/t13-,14+/m1/s1", + "name": "Scorpioidin", + "names": [ + "Scorpioidin" + ] + }, + { + "compound_id": "C09549", + "inchi": "InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1", + "name": "Isocorydine", + "names": [ + "Isocorydine" + ] + }, + { + "compound_id": "C09550", + "inchi": "InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1", + "name": "Isothebaine", + "names": [ + "Isothebaine" + ] + }, + { + "compound_id": "C09551", + "inchi": "InChI=1S/C27H32O10/c1-6-16(10-28)25(31)33-11-17(7-2)26(32)36-19-9-27(12-34-27)22-18(35-15(5)29)8-13(3)20(22)23-21(19)14(4)24(30)37-23/h6-8,18-23,28H,4,9-12H2,1-3,5H3/b16-6+,17-7+/t18-,19-,20+,21-,22-,23-,27+/m1/s1", + "name": "Spicatin", + "names": [ + "Spicatin" + ] + }, + { + "compound_id": "C09552", + "inchi": "InChI=1S/C15H18O4/c1-8-3-4-10-12(19-13(17)15(10)7-18-15)14(2)9(8)5-6-11(14)16/h5-6,8-10,12H,3-4,7H2,1-2H3/t8-,9-,10+,12+,14-,15-/m0/s1", + "name": "Stramonin B", + "names": [ + "Stramonin B" + ] + }, + { + "compound_id": "C09553", + "inchi": "InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1", + "name": "Jatrorrhizine", + "names": [ + "Jatrorrhizine" + ] + }, + { + "compound_id": "C09554", + "inchi": "InChI=1S/C19H24O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h6-8,10,13-15,22H,4,9H2,1-3,5H3/b11-8-/t13-,14-,15+,18+,19-/m1/s1", + "name": "Tagitinin F", + "names": [ + "Tagitinin F" + ] + }, + { + "compound_id": "C09555", + "inchi": "InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m1/s1", + "name": "(-)-Laudanidine", + "names": [ + "(-)-Laudanidine" + ] + }, + { + "compound_id": "C09556", + "inchi": "InChI=1S/C15H20O3/c1-9-4-5-13-11(3)15(17)18-14(13)8-10(2)7-12(16)6-9/h6,8,12-14,16H,3-5,7H2,1-2H3/b9-6+,10-8+/t12-,13-,14+/m1/s1", + "name": "Tamaulipin A", + "names": [ + "Tamaulipin A" + ] + }, + { + "compound_id": "C09557", + "inchi": "InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17?/m1/s1", + "name": "Tenulin", + "names": [ + "Tenulin" + ] + }, + { + "compound_id": "C09558", + "inchi": "InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m0/s1", + "name": "Laudanosine", + "names": [ + "Laudanosine" + ] + }, + { + "compound_id": "C09559", + "inchi": "InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1", + "name": "Tetraneurin A", + "names": [ + "Tetraneurin A" + ] + }, + { + "compound_id": "C09560", + "inchi": "InChI=1S/C17H24O6/c1-9-12-5-4-11(8-18)17(21)7-6-13(22-10(2)19)16(17,3)14(12)23-15(9)20/h11-14,18,21H,1,4-8H2,2-3H3/t11-,12+,13+,14-,16+,17-/m1/s1", + "name": "Tetraneurin E", + "names": [ + "Ambrosanolide", + "Tetraneurin E" + ] + }, + { + "compound_id": "C09561", + "inchi": "InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1", + "name": "Thapsigargin", + "names": [ + "Thapsigargin" + ] + }, + { + "compound_id": "C09562", + "inchi": "InChI=1S/C15H20O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9,13-14H,3-5,7-8H2,1-2H3/t9-,13+,14+/m0/s1", + "name": "Tomentosin", + "names": [ + "Tomentosin" + ] + }, + { + "compound_id": "C09563", + "inchi": "InChI=1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1", + "name": "Trilobolide", + "names": [ + "Trilobolide" + ] + }, + { + "compound_id": "C09564", + "inchi": "InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6+,11-9+/t14-,15+,16+/m0/s1", + "name": "Tulipinolide", + "names": [ + "Tulipinolide" + ] + }, + { + "compound_id": "C09565", + "inchi": "InChI=1S/C19H23NO3/c1-21-15-5-4-13-6-8-20-9-7-14-10-18(22-2)19(23-3)12-17(14)16(13)11-15/h4-5,10-12,20H,6-9H2,1-3H3", + "name": "Laurifine", + "names": [ + "Laurifine" + ] + }, + { + "compound_id": "C09566", + "inchi": "InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6+,11-9+/t14-,15-,16-/m1/s1", + "name": "epi-Tulipinolide", + "names": [ + "epi-Tulipinolide" + ] + }, + { + "compound_id": "C09567", + "inchi": "InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2", + "name": "Liriodenine", + "names": [ + "Liriodenine", + "Oxoushinsunine" + ] + }, + { + "compound_id": "C09568", + "inchi": "InChI=1S/C17H22O6/c1-8-12-10(20-9(2)18)7-17(4)11(22-17)5-6-16(3)14(23-16)13(12)21-15(8)19/h10-14H,1,5-7H2,2-4H3/t10-,11-,12-,13+,14-,16-,17-/m1/s1", + "name": "epi-Tulipinolide diepoxide", + "names": [ + "epi-Tulipinolide diepoxide" + ] + }, + { + "compound_id": "C09569", + "inchi": "InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-5,8-9,19-20H,6-7H2,1H3", + "name": "Longifolonine", + "names": [ + "Longifolonine" + ] + }, + { + "compound_id": "C09570", + "inchi": "InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1", + "name": "Tutin", + "names": [ + "Tutin" + ] + }, + { + "compound_id": "C09571", + "inchi": "InChI=1S/C15H23NO2/c1-10(2)7-13-12-9-14(17)15(18-4)8-11(12)5-6-16(13)3/h8-10,13,17H,5-7H2,1-4H3", + "name": "Lophocerine", + "names": [ + "Lophocerine" + ] + }, + { + "compound_id": "C09572", + "inchi": "InChI=1S/C22H28O7/c1-11-7-8-16(26-15(5)23)12(2)10-18-19(13(3)20(24)27-18)17(9-11)28-21(25)22(6)14(4)29-22/h7,10,14,16-19H,3,8-9H2,1-2,4-6H3/b11-7+,12-10+/t14-,16+,17-,18+,19-,22-/m1/s1", + "name": "Ursiniolide A", + "names": [ + "Ursiniolide A" + ] + }, + { + "compound_id": "C09573", + "inchi": "InChI=1S/C13H17NO3/c1-8-11-9(4-5-14(8)2)6-10(15-3)12-13(11)17-7-16-12/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1", + "name": "Lophophorine", + "names": [ + "Lophophorine" + ] + }, + { + "compound_id": "C09574", + "inchi": "InChI=1S/C15H20O4/c1-8-4-12-10(9(2)14(17)19-12)6-15(3)7-18-13(16)5-11(8)15/h8,10-12H,2,4-7H2,1,3H3/t8-,10-,11+,12+,15-/m1/s1", + "name": "Vermeerin", + "names": [ + "Vermeerin" + ] + }, + { + "compound_id": "C09575", + "inchi": "InChI=1S/C19H13NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-6,13,21H,3,7-8H2/t13-/m1/s1", + "name": "(+)-Luguine", + "names": [ + "(+)-Luguine" + ] + }, + { + "compound_id": "C09576", + "inchi": "InChI=1S/C19H20O7/c1-5-19-6-12(25-16(21)9(2)7-20)13-10(3)18(23)26-15(13)14(19)11(4)17(22)24-8-19/h5,12-15,20H,1-4,6-8H2/t12-,13+,14+,15-,19+/m0/s1", + "name": "Vernodalin", + "names": [ + "Vernodalin" + ] + }, + { + "compound_id": "C09577", + "inchi": "InChI=1S/C20H24O8/c1-6-20-7-13(28-17(23)10(2)8-21)14(11(3)18(24)26-5)16(22)15(20)12(4)19(25)27-9-20/h6,13-16,21-22H,1-4,7-9H2,5H3/t13-,14+,15+,16-,20+/m0/s1", + "name": "Vernodalol", + "names": [ + "Vernodalol" + ] + }, + { + "compound_id": "C09578", + "inchi": "InChI=1S/C20H24O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h8,14-16,18-19H,3-7,9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", + "name": "Vernoflexin", + "names": [ + "Vernoflexin" + ] + }, + { + "compound_id": "C09579", + "inchi": "InChI=1S/C21H28O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1", + "name": "Vernoflexuoside", + "names": [ + "Vernoflexuoside" + ] + }, + { + "compound_id": "C09580", + "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)17-29-35-25(13-15-39(29,2)3)20-34(43-5)36(41)37(35)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1", + "name": "Macoline", + "names": [ + "Macoline" + ] + }, + { + "compound_id": "C09581", + "inchi": "InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1", + "name": "Magnoflorine", + "names": [ + "Magnoflorine" + ] + }, + { + "compound_id": "C09582", + "inchi": "InChI=1S/C15H16O5/c1-4-15-5-9(16)10-7(2)14(18)20-12(10)11(15)8(3)13(17)19-6-15/h4,9-12,16H,1-3,5-6H2/t9-,10+,11+,12-,15+/m0/s1", + "name": "Vernolepin", + "names": [ + "Vernolepin" + ] + }, + { + "compound_id": "C09583", + "inchi": "InChI=1S/C19H22O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,12-15,18,22H,1,3-5,7-8H2,2H3/b11-6-/t12-,13+,14-,15+,18-,19-/m1/s1", + "name": "Vernolide", + "names": [ + "Vernolide" + ] + }, + { + "compound_id": "C09584", + "inchi": "InChI=1S/C15H16O5/c1-4-15-5-9-10(7(2)14(18)20-9)12(16)11(15)8(3)13(17)19-6-15/h4,9-12,16H,1-3,5-6H2/t9-,10+,11+,12-,15+/m0/s1", + "name": "Vernomenin", + "names": [ + "Vernomenin" + ] + }, + { + "compound_id": "C09585", + "inchi": "InChI=1S/C19H24O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,9,12-15,18,22H,3-5,7-8H2,1-2H3/b11-6-/t12-,13+,14-,15+,18-,19-/m1/s1", + "name": "Vernomygdin", + "names": [ + "Vernomygdin" + ] + }, + { + "compound_id": "C09586", + "inchi": "InChI=1S/C21H28O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,10,14-18H,4,8-9H2,1-3,5-6H3/b11-7-/t14-,15+,16+,17+,18-,21+/m0/s1", + "name": "Viguiestenin", + "names": [ + "Viguiestenin" + ] + }, + { + "compound_id": "C09587", + "inchi": "InChI=1S/C17H22O5/c1-7-5-11(20-9(3)18)13-8(2)16(19)21-15(13)14-10(7)6-12-17(14,4)22-12/h8,10-15H,1,5-6H2,2-4H3/t8-,10-,11-,12?,13+,14-,15-,17?/m0/s1", + "name": "Viscidulin B", + "names": [ + "Viscidulin B" + ] + }, + { + "compound_id": "C09588", + "inchi": "InChI=1S/C18H17NO3/c1-19-7-4-11-8-14-17(22-10-21-14)16-15(11)13(19)9-18(16)5-2-12(20)3-6-18/h2-3,5-6,8,13H,4,7,9-10H2,1H3/t13-/m0/s1", + "name": "Mecambrine", + "names": [ + "Mecambrine" + ] + }, + { + "compound_id": "C09589", + "inchi": "InChI=1S/C18H17NO3/c1-19-5-4-11-7-15-18(22-9-21-15)17-13-8-12(20)3-2-10(13)6-14(19)16(11)17/h2-3,7-8,14,20H,4-6,9H2,1H3/t14-/m0/s1", + "name": "(+)-Mecambroline", + "names": [ + "(+)-Mecambroline" + ] + }, + { + "compound_id": "C09590", + "inchi": "InChI=1/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1", + "name": "Thalmidine", + "names": [ + "Thalmidine" + ] + }, + { + "compound_id": "C09591", + "inchi": "InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)", + "name": "Narceine", + "names": [ + "Narceine" + ] + }, + { + "compound_id": "C09592", + "inchi": "InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1", + "name": "alpha-Narcotine", + "names": [ + "Noscapine", + "alpha-Narcotine" + ] + }, + { + "compound_id": "C09593", + "inchi": "InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1", + "name": "Narcotoline", + "names": [ + "Narcotoline" + ] + }, + { + "compound_id": "C09594", + "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1", + "name": "Neopine", + "names": [ + "Neopine" + ] + }, + { + "compound_id": "C09595", + "inchi": "InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1", + "name": "Nitidine", + "names": [ + "Nitidine" + ] + }, + { + "compound_id": "C09596", + "inchi": "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1", + "name": "Obaberine", + "names": [ + "Obaberine" + ] + }, + { + "compound_id": "C09597", + "inchi": "InChI=1S/C21H21NO4/c1-12-14-4-5-18-20(26-11-25-18)15(14)10-21(12)16-9-19(24-3)17(23)8-13(16)6-7-22(21)2/h4-5,8-9,23H,1,6-7,10-11H2,2-3H3/t21-/m0/s1", + "name": "Ochotensine", + "names": [ + "Ochotensine" + ] + }, + { + "compound_id": "C09598", + "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1", + "name": "Oxyacanthine", + "names": [ + "Oxyacanthine" + ] + }, + { + "compound_id": "C09599", + "inchi": "InChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1", + "name": "Parfumine", + "names": [ + "Parfumine" + ] + }, + { + "compound_id": "C09600", + "inchi": "InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1", + "name": "Vulgarin", + "names": [ + "Vulgarin" + ] + }, + { + "compound_id": "C09601", + "inchi": "InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1", + "name": "Xanthatin", + "names": [ + "Xanthatin" + ] + }, + { + "compound_id": "C09602", + "inchi": "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15-,16?/m0/s1", + "name": "Xanthinin", + "names": [ + "Xanthinin" + ] + }, + { + "compound_id": "C09603", + "inchi": "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15+,16+/m0/s1", + "name": "Xanthumin", + "names": [ + "Xanthumin" + ] + }, + { + "compound_id": "C09604", + "inchi": "InChI=1S/C13H19NO3/c1-8-11-9(5-6-14(8)2)7-10(16-3)13(17-4)12(11)15/h7-8,15H,5-6H2,1-4H3/t8-/m1/s1", + "name": "(-)-Pellotine", + "names": [ + "(-)-Pellotine", + "Pellotine" + ] + }, + { + "compound_id": "C09605", + "inchi": "InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1", + "name": "Xerantholide", + "names": [ + "Xerantholide" + ] + }, + { + "compound_id": "C09606", + "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1", + "name": "Zaluzanin C", + "names": [ + "Zaluzanin C" + ] + }, + { + "compound_id": "C09607", + "inchi": "InChI=1S/C19H24O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,12-15,20,23H,1,4,7-8H2,2-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1", + "name": "Zexbrevin B", + "names": [ + "Zexbrevin B" + ] + }, + { + "compound_id": "C09608", + "inchi": "InChI=1S/C39H40N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-17,20-24H,18-19H2,1-7H3/q+2", + "name": "Phaeantharine", + "names": [ + "Phaeantharine" + ] + }, + { + "compound_id": "C09609", + "inchi": "InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3", + "name": "Pilocereine", + "names": [ + "Pilocereine" + ] + }, + { + "compound_id": "C09610", + "inchi": "InChI=1S/C21H23NO6/c1-25-17-6-5-14(20(24)21(17)28-4)9-16-15-11-19(27-3)18(26-2)10-13(15)7-8-22(16)12-23/h5-6,9-12,24H,7-8H2,1-4H3/b16-9-", + "name": "Polycarpine", + "names": [ + "Polycarpine" + ] + }, + { + "compound_id": "C09611", + "inchi": "InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3/t14-/m1/s1", + "name": "(+)-Pronuciferine", + "names": [ + "(+)-Pronuciferine" + ] + }, + { + "compound_id": "C09612", + "inchi": "InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1", + "name": "Psychotrine", + "names": [ + "Psychotrine" + ] + }, + { + "compound_id": "C09613", + "inchi": "InChI=1S/C18H17NO3/c1-19-6-5-11-8-14-18(22-9-21-14)17-15(11)12(19)7-10-3-2-4-13(20)16(10)17/h2-4,8,12,20H,5-7,9H2,1H3/t12-/m1/s1", + "name": "Pukateine", + "names": [ + "Pukateine" + ] + }, + { + "compound_id": "C09614", + "inchi": "InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1", + "name": "Butin", + "names": [ + "(-)-Butin", + "7,3',4'-Trihydroxyflavanone", + "Butin" + ] + }, + { + "compound_id": "C09615", + "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m1/s1", + "name": "Pycnamine", + "names": [ + "Pycnamine" + ] + }, + { + "compound_id": "C09616", + "inchi": "InChI=1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1", + "name": "Butrin", + "names": [ + "Butin 7,3'-di-O-glucoside", + "Butrin" + ] + }, + { + "compound_id": "C09617", + "inchi": "InChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15+,17-,18+,19+,20-/m0/s1", + "name": "Catechin 7-O-beta-D-xyloside", + "names": [ + "Catechin 7-O-beta-D-xyloside" + ] + }, + { + "compound_id": "C09618", + "inchi": "InChI=1S/C15H14O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-2,4-7,9,16-17,19H,3,8H2", + "name": "Davidigenin", + "names": [ + "2',4,4'-trihydroxychalcone", + "4,2',4'-Trihydroxydihydrochalcone", + "Davidigenin" + ] + }, + { + "compound_id": "C09619", + "inchi": "InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1", + "name": "Rhoeadine", + "names": [ + "Rhoeadine" + ] + }, + { + "compound_id": "C09621", + "inchi": "InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1", + "name": "(-)-alpha-Bisabolol", + "names": [ + "(-)-alpha-Bisabolol", + "Levomenol" + ] + }, + { + "compound_id": "C09622", + "inchi": "InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1", + "name": "Botrydial", + "names": [ + "Botrydial" + ] + }, + { + "compound_id": "C09623", + "inchi": "InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8+/t13-,14+,16-/m1/s1", + "name": "Buddledin A", + "names": [ + "Buddledin A" + ] + }, + { + "compound_id": "C09624", + "inchi": "InChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30+/m1/s1", + "name": "Rodiasine", + "names": [ + "Rodiasine" + ] + }, + { + "compound_id": "C09625", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1", + "name": "beta-Cadinene", + "names": [ + "beta-Cadinene" + ] + }, + { + "compound_id": "C09626", + "inchi": "InChI=1S/C15H20O3/c1-10-6-7-14(3)13(11(10)2)5-4-12(8-16)15(14,18)9-17/h4,8-10,13,18H,2,5-7H2,1,3H3/t10-,13-,14-,15+/m0/s1", + "name": "Canellal", + "names": [ + "Canellal", + "Muzigadial" + ] + }, + { + "compound_id": "C09627", + "inchi": "InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1", + "name": "Capsidiol", + "names": [ + "Capsidiol" + ] + }, + { + "compound_id": "C09628", + "inchi": "InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1", + "name": "Carotol", + "names": [ + "Carotol" + ] + }, + { + "compound_id": "C09629", + "inchi": "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1", + "name": "beta-Caryophyllene", + "names": [ + "Caryophyllene", + "beta-Caryophyllene" + ] + }, + { + "compound_id": "C09630", + "inchi": "InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1", + "name": "alpha-Cedrene", + "names": [ + "alpha-Cedrene" + ] + }, + { + "compound_id": "C09631", + "inchi": "InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1", + "name": "alpha-Cedrol", + "names": [ + "Cedrol", + "alpha-Cedrol" + ] + }, + { + "compound_id": "C09632", + "inchi": "InChI=1S/C15H26O2/c1-10-6-7-11-12(13(10)16)14(2,3)8-5-9-15(11,4)17/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15+/m1/s1", + "name": "Centarol", + "names": [ + "Centarol" + ] + }, + { + "compound_id": "C09633", + "inchi": "InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3", + "name": "Chamazulene", + "names": [ + "Chamazulene" + ] + }, + { + "compound_id": "C09634", + "inchi": "InChI=1S/C19H15NO6/c1-23-13-4-3-11(18(22)19(13)24-2)17(21)16-12-8-15-14(25-9-26-15)7-10(12)5-6-20-16/h3-8,22H,9H2,1-2H3", + "name": "Rugosinone", + "names": [ + "1,3-Dioxolo[4,5-g]isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone", + "Rugosinone" + ] + }, + { + "compound_id": "C09635", + "inchi": "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h6-7H,5,8-11H2,1-4H3/t15-/m1/s1", + "name": "alpha-Chamigrene", + "names": [ + "alpha-Chamigrene" + ] + }, + { + "compound_id": "C09636", + "inchi": "InChI=1S/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19+,20+,21-,22+,23+/m0/s1", + "name": "Diffutin", + "names": [ + "Diffutin" + ] + }, + { + "compound_id": "C09637", + "inchi": "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1", + "name": "beta-Chamigrene", + "names": [ + "beta-Chamigrene" + ] + }, + { + "compound_id": "C09638", + "inchi": "InChI=1S/C17H24O5/c1-11(20)22-13-8-12(9-18)17(21,10-19)16(4)7-5-6-15(2,3)14(13)16/h8-10,13-14,21H,5-7H2,1-4H3/t13-,14+,16+,17-/m1/s1", + "name": "Cinnamodial", + "names": [ + "Cinnamodial" + ] + }, + { + "compound_id": "C09639", + "inchi": "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m1/s1", + "name": "alpha-Copaene", + "names": [ + "Copaene", + "alpha-Copaene" + ] + }, + { + "compound_id": "C09640", + "inchi": "InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m0/s1", + "name": "(-)-Salsoline", + "names": [ + "(-)-Salsoline" + ] + }, + { + "compound_id": "C09641", + "inchi": "InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m0/s1", + "name": "7,4'-Dihydroxyflavan", + "names": [ + "7,4'-Dihydroxyflavan" + ] + }, + { + "compound_id": "C09642", + "inchi": "InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1", + "name": "(-)-Salsolinol", + "names": [ + "(-)-Salsolinol", + "6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (S)-", + "Salsolinol" + ] + }, + { + "compound_id": "C09643", + "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1", + "name": "Sinomenine", + "names": [ + "Sinomenine" + ] + }, + { + "compound_id": "C09644", + "inchi": "InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3", + "name": "2',6'-Dihydroxy-4'-methoxydihydrochalcone", + "names": [ + "2',6'-Dihydroxy-4'-methoxydihydrochalcone" + ] + }, + { + "compound_id": "C09645", + "inchi": "InChI=1S/C15H24O3/c1-9(2)10-7-12-14(3,8-11(10)16)6-5-13(17)15(12,4)18/h12-13,17-18H,5-8H2,1-4H3/t12-,13-,14-,15+/m1/s1", + "name": "Cuauhtemone", + "names": [ + "Cuauhtemone" + ] + }, + { + "compound_id": "C09646", + "inchi": "InChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1", + "name": "7,3'-Dihydroxy-4'-methoxy-8-methylflavan", + "names": [ + "7,3'-Dihydroxy-4'-methoxy-8-methylflavan" + ] + }, + { + "compound_id": "C09647", + "inchi": "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1", + "name": "alpha-Cubebene", + "names": [ + "alpha-Cubebene" + ] + }, + { + "compound_id": "C09648", + "inchi": "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1", + "name": "beta-Cubebene", + "names": [ + "beta-Cubebene" + ] + }, + { + "compound_id": "C09649", + "inchi": "InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1", + "name": "alpha-Curcumene", + "names": [ + "Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-", + "alpha-Curcumene", + "l-alpha-Curcumene" + ] + }, + { + "compound_id": "C09650", + "inchi": "InChI=1S/C16H16O3/c1-10-14(18)8-4-12-5-9-15(19-16(10)12)11-2-6-13(17)7-3-11/h2-4,6-8,15,17-18H,5,9H2,1H3/t15-/m0/s1", + "name": "7,4'-Dihydroxy-8-methylflavan", + "names": [ + "7,4'-Dihydroxy-8-methylflavan" + ] + }, + { + "compound_id": "C09651", + "inchi": "InChI=1S/C15H26O/c1-11-6-5-7-13(4)8-9-14(12(2,3)16)10-15(11,13)14/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1", + "name": "Cycloeudesmol", + "names": [ + "Cycloeudesmol" + ] + }, + { + "compound_id": "C09652", + "inchi": "InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1", + "name": "Daucol", + "names": [ + "Daucol" + ] + }, + { + "compound_id": "C09653", + "inchi": "InChI=1S/C15H26O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h7,11,13,16-17H,4-6,8-10H2,1-3H3/t11-,13-,14-,15-/m1/s1", + "name": "Debneyol", + "names": [ + "Debneyol" + ] + }, + { + "compound_id": "C09654", + "inchi": "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1", + "name": "(+)-Tetrandrine", + "names": [ + "(+)-Tetrandrine", + "Tetrandrine" + ] + }, + { + "compound_id": "C09655", + "inchi": "InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1", + "name": "Thalicarpine", + "names": [ + "Thalicarpine" + ] + }, + { + "compound_id": "C09656", + "inchi": "InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1", + "name": "Thalidasine", + "names": [ + "Thalidasine" + ] + }, + { + "compound_id": "C09657", + "inchi": "InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3/t12-,13+/m1/s1", + "name": "Dehydrojuvabione", + "names": [ + "(4R)-4-[(1R)-1,5-Dimethyl-3-oxo-4-hexenyl]-1-cyclohexene-1-carboxylic acid methyl ester", + "Dehydrojuvabione" + ] + }, + { + "compound_id": "C09658", + "inchi": "InChI=1S/C15H18O2/c1-10(2)8-14(16)15-11(3)4-5-13(15)12-6-7-17-9-12/h6-9,11H,4-5H2,1-3H3/t11-/m0/s1", + "name": "Dehydromyodesmone", + "names": [ + "Dehydromyodesmone" + ] + }, + { + "compound_id": "C09659", + "inchi": "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)17-23-8-11-31(41-3)33(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30-/m0/s1", + "name": "Thalmine", + "names": [ + "Thalmine" + ] + }, + { + "compound_id": "C09660", + "inchi": "InChI=1S/C15H20O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7-8,10,14H,4,6,9H2,1-3H3/t14-,15+/m0/s1", + "name": "Dehydrongaione", + "names": [ + "Dehydrongaione" + ] + }, + { + "compound_id": "C09661", + "inchi": "InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1", + "name": "Thalsimine", + "names": [ + "Thalsimine" + ] + }, + { + "compound_id": "C09662", + "inchi": "InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1", + "name": "Diacetoxyscirpenol", + "names": [ + "Diacetoxyscirpenol" + ] + }, + { + "compound_id": "C09663", + "inchi": "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1", + "name": "alpha-Eudesmol", + "names": [ + "alpha-Eudesmol" + ] + }, + { + "compound_id": "C09664", + "inchi": "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1", + "name": "beta-Eudesmol", + "names": [ + "beta-Eudesmol" + ] + }, + { + "compound_id": "C09665", + "inchi": "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+", + "name": "alpha-Farnesene", + "names": [ + "(3E,6E)-alpha-Farnesene", + "alpha-Farnesene" + ] + }, + { + "compound_id": "C09666", + "inchi": "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+", + "name": "beta-Farnesene", + "names": [ + "(E)-beta-Farnesene", + "beta-Farnesene" + ] + }, + { + "compound_id": "C09667", + "inchi": "InChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-20-5-7-29(39)25(13-20)26-14-21(6-8-30(26)40-3)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28-/m0/s1", + "name": "Tiliacorine", + "names": [ + "Tiliacorine" + ] + }, + { + "compound_id": "C09668", + "inchi": "InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1", + "name": "Fumagillin", + "names": [ + "Fumagillin" + ] + }, + { + "compound_id": "C09669", + "inchi": "InChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3/t26-,27-/m0/s1", + "name": "Trilobine", + "names": [ + "Trilobine" + ] + }, + { + "compound_id": "C09670", + "inchi": "InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1", + "name": "Xylopine", + "names": [ + "Xylopine" + ] + }, + { + "compound_id": "C09671", + "inchi": "InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3/t17-/m0/s1", + "name": "Xylopinine", + "names": [ + "Norcoralydine", + "Xylopinine" + ] + }, + { + "compound_id": "C09672", + "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+", + "name": "Germacrene B", + "names": [ + "(E,E)-germacrene B", + "1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethylidene)-, (E,E)-", + "Germacrene B" + ] + }, + { + "compound_id": "C09673", + "inchi": "InChI=1S/C14H20O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h7,9-10,12,14,16H,1,4-6H2,2-3H3/t9-,10+,12-,14+/m0/s1", + "name": "Glutinosone", + "names": [ + "Glutinosone" + ] + }, + { + "compound_id": "C09674", + "inchi": "InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1", + "name": "Graphinone", + "names": [ + "Graphinone", + "Ovalicin" + ] + }, + { + "compound_id": "C09675", + "inchi": "InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3", + "name": "Guaiazulene", + "names": [ + "1,4-Dimethyl-7-isopropylazulene", + "Guaiazulene" + ] + }, + { + "compound_id": "C09676", + "inchi": "InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1", + "name": "Guaiol", + "names": [ + "Guaiol" + ] + }, + { + "compound_id": "C09677", + "inchi": "InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4)10(3)12(7-16)14(11)13(15)8-17/h7-9,11,13-14H,5-6H2,1-4H3", + "name": "Helminthosporal", + "names": [ + "Helminthosporal" + ] + }, + { + "compound_id": "C09678", + "inchi": "InChI=1S/C15H24O2/c1-9(2)11-5-6-15(4)10(3)12(7-16)14(11)13(15)8-17/h7,9,11,13-14,17H,5-6,8H2,1-4H3", + "name": "Helminthosporol", + "names": [ + "Helminthosporol" + ] + }, + { + "compound_id": "C09679", + "inchi": "InChI=1S/C39H64O22/c1-14-6-17(55-36-30(53)26(49)34(61-36)22(12-43)57-38-29(52)24(47)32(59-38)20(45)10-41)8-39(3)5-4-16(7-18(14)39)15(2)13-54-35-27(50)25(48)33(60-35)21(11-42)56-37-28(51)23(46)31(58-37)19(44)9-40/h16-17,19-38,40-53H,2,4-13H2,1,3H3/t16?,17-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-/m1/s1", + "name": "Helminthosporoside A", + "names": [ + "Helminthosporoside A" + ] + }, + { + "compound_id": "C09680", + "inchi": "InChI=1S/C15H16O4/c1-7(2)12-9-4-8(3)5-11(17)13(9)10(6-16)14(18)15(12)19/h4-7,17-19H,1-3H3", + "name": "Hemigossypol", + "names": [ + "Hemigossypol" + ] + }, + { + "compound_id": "C09681", + "inchi": "InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15+/m1/s1", + "name": "Hernandulcin", + "names": [ + "Hernandulcin" + ] + }, + { + "compound_id": "C09682", + "inchi": "InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,15-/m1/s1", + "name": "Himachalol", + "names": [ + "Himachalol" + ] + }, + { + "compound_id": "C09683", + "inchi": "InChI=1S/C15H20O4/c1-7-10(16)11-15(19-11)5-8-4-13(2,12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1", + "name": "Hirsutic acid C", + "names": [ + "Hirsutic acid C" + ] + }, + { + "compound_id": "C09684", + "inchi": "InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+", + "name": "Humulene", + "names": [ + "Humulene" + ] + }, + { + "compound_id": "C09685", + "inchi": "InChI=1S/C19H28O4/c1-11(2)17(20)23-16-15-12(3)10-22-14(15)9-19(21)8-6-7-13(4)18(16,19)5/h10-11,13,16,21H,6-9H2,1-5H3/t13-,16+,18-,19-/m0/s1", + "name": "10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane", + "names": [ + "10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane" + ] + }, + { + "compound_id": "C09686", + "inchi": "InChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)12-7-13(16)10(4)14(12)15(11)17/h9,11-12,15,17H,1,5-7H2,2-4H3/t9-,11-,12+,15+/m0/s1", + "name": "Hydroxyisopatchoulenone", + "names": [ + "Hydroxyisopatchoulenone" + ] + }, + { + "compound_id": "C09687", + "inchi": "InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1", + "name": "Illudin M", + "names": [ + "Illudin M" + ] + }, + { + "compound_id": "C09688", + "inchi": "InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1", + "name": "Illudin S", + "names": [ + "Illudin S" + ] + }, + { + "compound_id": "C09689", + "inchi": "InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15+/m1/s1", + "name": "Ipomeamarone", + "names": [ + "(+)-Ngaione", + "Ipomeamarone" + ] + }, + { + "compound_id": "C09690", + "inchi": "InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13+/m1/s1", + "name": "alpha-Irone", + "names": [ + "alpha-Irone" + ] + }, + { + "compound_id": "C09691", + "inchi": "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1", + "name": "Isocaryophyllene", + "names": [ + "Isocaryophyllene" + ] + }, + { + "compound_id": "C09692", + "inchi": "InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1", + "name": "Isovelleral", + "names": [ + "Isovelleral" + ] + }, + { + "compound_id": "C09693", + "inchi": "InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m1/s1", + "name": "Juvabione", + "names": [ + "Juvabione" + ] + }, + { + "compound_id": "C09694", + "inchi": "InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1", + "name": "Juvenile hormone III", + "names": [ + "Juvenile hormone III" + ] + }, + { + "compound_id": "C09695", + "inchi": "InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3/t16-/m1/s1", + "name": "Lacinilene C 7-methyl ether", + "names": [ + "Lacinilene C 7-methyl ether" + ] + }, + { + "compound_id": "C09696", + "inchi": "InChI=1S/C15H14O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-9H,1H2,2-3H3", + "name": "Lactaroviolin", + "names": [ + "Lactaroviolin" + ] + }, + { + "compound_id": "C09697", + "inchi": "InChI=1S/C25H38O7/c1-9-15(5)21(27)31-17-13-24(8,29)19(26)20(32-22(28)16(6)10-2)23(7)11-12-25(30,14(3)4)18(17)23/h9-10,14,17-18,20,29-30H,11-13H2,1-8H3/b15-9-,16-10-/t17-,18+,20+,23-,24+,25+/m0/s1", + "name": "Laserpitin", + "names": [ + "Laserpitin" + ] + }, + { + "compound_id": "C09698", + "inchi": "InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1", + "name": "Ledol", + "names": [ + "Ledol" + ] + }, + { + "compound_id": "C09699", + "inchi": "InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3", + "name": "Longifolene", + "names": [ + "Longifolene" + ] + }, + { + "compound_id": "C09700", + "inchi": "InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1", + "name": "Lubimin", + "names": [ + "Lubimin" + ] + }, + { + "compound_id": "C09701", + "inchi": "InChI=1S/C15H18O4/c1-13(2)4-8-3-9(6-16)14-7-15(14,10(8)5-13)12(18)19-11(14)17/h3,6,8,10-11,17H,4-5,7H2,1-2H3/t8-,10+,11?,14+,15-/m1/s1", + "name": "Marasmic acid", + "names": [ + "Marasmic acid" + ] + }, + { + "compound_id": "C09702", + "inchi": "InChI=1S/C15H22O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7-9,11-12,18-19H,4-6H2,1-3H3/t11-,12-,14-,15+/m0/s1", + "name": "Mukaadial", + "names": [ + "Mukaadial" + ] + }, + { + "compound_id": "C09704", + "inchi": "InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1", + "name": "Nerolidol", + "names": [ + "(3S,6E)-Nerolidol", + "Nerolidol" + ] + }, + { + "compound_id": "C09705", + "inchi": "InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14-,15?/m0/s1", + "name": "Patchouli alcohol", + "names": [ + "Patchouli alcohol" + ] + }, + { + "compound_id": "C09706", + "inchi": "InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1", + "name": "Petasin", + "names": [ + "Petasin" + ] + }, + { + "compound_id": "C09707", + "inchi": "InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t13-,14-,15+/m1/s1", + "name": "Phaseic acid", + "names": [ + "Phaseic acid" + ] + }, + { + "compound_id": "C09708", + "inchi": "InChI=1S/C15H20O4/c1-8(7-16)15-12(18)6-10-4-5-11(17)9(2)14(10,3)13(15)19-15/h6,9,11,13,16-17H,1,4-5,7H2,2-3H3/t9-,11+,13+,14+,15-/m0/s1", + "name": "Phomenone", + "names": [ + "Phomenone" + ] + }, + { + "compound_id": "C09709", + "inchi": "InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1", + "name": "Phytuberin", + "names": [ + "Phytuberin" + ] + }, + { + "compound_id": "C09710", + "inchi": "InChI=1S/C15H20O2/c1-9-7-13(16)15(4)10(2)11-5-6-17-12(11)8-14(9,15)3/h5-6,9-10H,7-8H2,1-4H3/t9-,10-,14+,15-/m1/s1", + "name": "Pinguisone", + "names": [ + "Pinguisone" + ] + }, + { + "compound_id": "C09711", + "inchi": "InChI=1S/C15H22O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7-9,11-14,18H,5-6H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1", + "name": "Piperdial", + "names": [ + "Piperdial" + ] + }, + { + "compound_id": "C09712", + "inchi": "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1", + "name": "Polygodial", + "names": [ + "Polygodial" + ] + }, + { + "compound_id": "C09714", + "inchi": "InChI=1S/C21H28O6/c1-15(2)8-7-9-16(3)10-11-21(27-19(6)24)20(14-26-18(5)23)12-13-25-17(4)22/h7-10,12-14,21H,11H2,1-6H3/b9-7+,13-12+,16-10+,20-14-", + "name": "Rhipocephalin", + "names": [ + "Rhipocephalin" + ] + }, + { + "compound_id": "C09715", + "inchi": "InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1", + "name": "Rishitin", + "names": [ + "Rishitin" + ] + }, + { + "compound_id": "C09716", + "inchi": "InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1", + "name": "Roridin A", + "names": [ + "Roridin A" + ] + }, + { + "compound_id": "C09717", + "inchi": "InChI=1S/C15H22O4/c1-9(2)11-4-5-14(3)7-12-10(8-16)6-13(17)15(11,14)19-18-12/h6,8-9,11-13,17H,4-5,7H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1", + "name": "Rugosal A", + "names": [ + "Rugosal", + "Rugosal A" + ] + }, + { + "compound_id": "C09718", + "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3", + "name": "beta-Santalene", + "names": [ + "beta-Santalene" + ] + }, + { + "compound_id": "C09719", + "inchi": "InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14?,15-", + "name": "alpha-Santalol", + "names": [ + "alpha-Santalol" + ] + }, + { + "compound_id": "C09720", + "inchi": "InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-", + "name": "beta-Santalol", + "names": [ + "beta-Santalol" + ] + }, + { + "compound_id": "C09721", + "inchi": "InChI=1S/C15H22O2/c1-9(2)11-6-7-13(15(16)17)12-5-4-10(3)8-14(11)12/h7-9,11-12,14H,4-6H2,1-3H3,(H,16,17)/t11-,12+,14-/m1/s1", + "name": "Sclerosporin", + "names": [ + "Sclerosporin" + ] + }, + { + "compound_id": "C09722", + "inchi": "InChI=1S/C15H26O2/c1-9(2)13-11-6-7-15(5,17)10(3)14(11,4)8-12(13)16/h10-13,16-17H,1,6-8H2,2-5H3/t10-,11-,12+,13+,14+,15+/m1/s1", + "name": "Seiricardine A", + "names": [ + "Seiricardine A" + ] + }, + { + "compound_id": "C09723", + "inchi": "InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15-/m1/s1", + "name": "beta-Selinene", + "names": [ + "beta-Selinene" + ] + }, + { + "compound_id": "C09724", + "inchi": "InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1", + "name": "Lonchocarpol A", + "names": [ + "6,8-Diprenylnaringenin", + "Lonchocarpol A", + "Senegalensin" + ] + }, + { + "compound_id": "C09725", + "inchi": "InChI=1S/C19H30O5/c1-11(2)16-15(22-13(4)20)10-12(3)8-7-9-19(6)18(24-19)17(16)23-14(5)21/h8,11,15-18H,7,9-10H2,1-6H3/b12-8+/t15-,16+,17+,18-,19-/m0/s1", + "name": "Shiromodiol diacetate", + "names": [ + "Shiromodiol diacetate" + ] + }, + { + "compound_id": "C09726", + "inchi": "InChI=1S/C32H24O5/c1-18-23(33)16-27-29-22(15-25(35-27)20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10-19/h3-12,15-17,24H,13-14H2,1-2H3/t24-/m0/s1", + "name": "Dracorubin", + "names": [ + "Dracorubin" + ] + }, + { + "compound_id": "C09727", + "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1", + "name": "(-)-Epicatechin", + "names": [ + "(-)-Epicatechin" + ] + }, + { + "compound_id": "C09728", + "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1", + "name": "(+)-Epicatechin", + "names": [ + "(+)-Epicatechin", + "ent-Epicatechin" + ] + }, + { + "compound_id": "C09729", + "inchi": "InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+", + "name": "alpha-Sinensal", + "names": [ + "alpha-Sinensal" + ] + }, + { + "compound_id": "C09730", + "inchi": "InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+", + "name": "beta-Sinensal", + "names": [ + "2,6-Dimethyl-10-methylene-2,6,11-dodecatrienal", + "beta-Sinensal" + ] + }, + { + "compound_id": "C09731", + "inchi": "InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1", + "name": "Epigallocatechin 3-gallate", + "names": [ + "Epigallocatechin 3-gallate" + ] + }, + { + "compound_id": "C09732", + "inchi": "InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1", + "name": "Eriocitrin", + "names": [ + "Eriocitrin", + "Eriodictyol 7-O-rutinoside" + ] + }, + { + "compound_id": "C09733", + "inchi": "InChI=1S/C15H24O2/c1-11(9-16)4-3-7-15(2)13-6-5-12(10-17)8-14(13)15/h4,8,13-14,16-17H,3,5-7,9-10H2,1-2H3/b11-4+/t13-,14+,15+/m0/s1", + "name": "Sirenin", + "names": [ + "Sirenin" + ] + }, + { + "compound_id": "C09734", + "inchi": "InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3/t13-/m0/s1", + "name": "Farrerol", + "names": [ + "Farrerol" + ] + }, + { + "compound_id": "C09735", + "inchi": "InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2/t13-,15+/m0/s1", + "name": "Fisetinidol", + "names": [ + "3,7,3',4'-Tetrahydroxyflavan", + "Fisetinidol" + ] + }, + { + "compound_id": "C09736", + "inchi": "InChI=1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14-,15+/m0/s1", + "name": "Fisetinidol-4beta-ol", + "names": [ + "(-)-Mollisacacidin", + "5-Deoxyleucocyanidin", + "Fisetinidol-4beta-ol", + "Fisetinin-3,4-diol" + ] + }, + { + "compound_id": "C09737", + "inchi": "InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1", + "name": "Solavetivone", + "names": [ + "Solavetivone" + ] + }, + { + "compound_id": "C09738", + "inchi": "InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24+/m0/s1", + "name": "T-2 Toxin", + "names": [ + "T-2 Toxin" + ] + }, + { + "compound_id": "C09739", + "inchi": "InChI=1S/C15H22O2/c1-10-9-17-13-8-15(16)6-4-5-11(2)14(15,3)7-12(10)13/h9,11,16H,4-8H2,1-3H3/t11-,14+,15-/m0/s1", + "name": "Tetradymol", + "names": [ + "Tetradymol" + ] + }, + { + "compound_id": "C09740", + "inchi": "InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1", + "name": "Thujopsene", + "names": [ + "Thujopsene" + ] + }, + { + "compound_id": "C09741", + "inchi": "InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17-/m1/s1", + "name": "Trichodermin", + "names": [ + "Trichodermin" + ] + }, + { + "compound_id": "C09742", + "inchi": "InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19-/m1/s1", + "name": "Trichothecin", + "names": [ + "Trichothecin" + ] + }, + { + "compound_id": "C09743", + "inchi": "InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8-/t9-,12+,13-/m1/s1", + "name": "Valerenic acid", + "names": [ + "Valerenic acid" + ] + }, + { + "compound_id": "C09744", + "inchi": "InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1", + "name": "alpha-Vetivone", + "names": [ + "alpha-Vetivone" + ] + }, + { + "compound_id": "C09745", + "inchi": "InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1", + "name": "beta-Vetivone", + "names": [ + "beta-Vetivone" + ] + }, + { + "compound_id": "C09746", + "inchi": "InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1", + "name": "Verrucarin A", + "names": [ + "Muconomycin A", + "Verrucarin A" + ] + }, + { + "compound_id": "C09747", + "inchi": "InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15-/m1/s1", + "name": "Vomitoxin", + "names": [ + "Deoxynivalenol", + "Vomitoxin" + ] + }, + { + "compound_id": "C09748", + "inchi": "InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15+/m0/s1", + "name": "Warburganal", + "names": [ + "Warburganal" + ] + }, + { + "compound_id": "C09749", + "inchi": "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m0/s1", + "name": "alpha-Ylangene", + "names": [ + "alpha-Ylangene" + ] + }, + { + "compound_id": "C09750", + "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1", + "name": "Zingiberene", + "names": [ + "Zingiberene", + "alpha-Zingiberene" + ] + }, + { + "compound_id": "C09751", + "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1", + "name": "Garbanzol", + "names": [ + "3,7,4'-Trihydroxyflavanone", + "Garbanzol" + ] + }, + { + "compound_id": "C09752", + "inchi": "InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1", + "name": "Glabranin", + "names": [ + "Glabranin" + ] + }, + { + "compound_id": "C09753", + "inchi": "InChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,18-19,21-22,24H,9H2,1-2H3/t18-,19+/m0/s1", + "name": "Glepidotin B", + "names": [ + "Glepidotin B" + ] + }, + { + "compound_id": "C09754", + "inchi": "InChI=1S/C21H24O9/c1-10-18(26)19(27)20(28)21(29-10)30-16-9-13(23)8-15(25)17(16)14(24)7-4-11-2-5-12(22)6-3-11/h2-3,5-6,8-10,18-23,25-28H,4,7H2,1H3/t10-,18-,19+,20+,21-/m0/s1", + "name": "Glycyphyllin", + "names": [ + "Glycyphyllin", + "Phloretin 2'-O-rhamnoside" + ] + }, + { + "compound_id": "C09755", + "inchi": "InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1", + "name": "Hesperidin", + "names": [ + "Ciratin", + "Hesperetin 7-O-rutinoside", + "Hesperidin" + ] + }, + { + "compound_id": "C09756", + "inchi": "InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1", + "name": "Homoeriodictyol", + "names": [ + "Eriodictyol 3'-methyl ether", + "Homoeriodictyol" + ] + }, + { + "compound_id": "C09757", + "inchi": "InChI=1S/C15H14O2/c16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11/h1-6,8,10,14,16H,7,9H2/t14-/m0/s1", + "name": "7-Hydroxyflavan", + "names": [ + "7-Hydroxyflavan" + ] + }, + { + "compound_id": "C09758", + "inchi": "InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26+,29+,30-", + "name": "Isochamaejasmin", + "names": [ + "3,3''-Binaringenin", + "Isochamaejasmin" + ] + }, + { + "compound_id": "C09759", + "inchi": "InChI=1S/C23H22O5/c1-28-23-17(13-16-9-5-6-10-18(16)24)20(26)14-21(27)22(23)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3", + "name": "Isouvaretin", + "names": [ + "1-(4,6-Dihydroxy-3-((2-hydroxyphenyl)methyl)-2-methoxyphenyl)-3-phenyl-1-propanone", + "Isouvaretin" + ] + }, + { + "compound_id": "C09760", + "inchi": "InChI=1S/C25H30O4/c1-15(2)5-7-18-13-21(20(11-6-16(3)4)25(28)24(18)27)22-12-9-17-8-10-19(26)14-23(17)29-22/h5-6,8,10,13-14,22,26-28H,7,9,11-12H2,1-4H3/t22-/m0/s1", + "name": "Kazinol A", + "names": [ + "Kazinol A" + ] + }, + { + "compound_id": "C09761", + "inchi": "InChI=1S/C31H24O12/c1-41-20-7-4-13(8-16(20)34)30-28(40)27(39)24-19(37)11-18(36)23(31(24)43-30)25-26(38)22-17(35)9-15(33)10-21(22)42-29(25)12-2-5-14(32)6-3-12/h2-11,25,28-30,32-37,40H,1H3/t25-,28-,29+,30+/m0/s1", + "name": "Kolaflavanone", + "names": [ + "Kolaflavanone" + ] + }, + { + "compound_id": "C09762", + "inchi": "InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1", + "name": "Liquiritigenin", + "names": [ + "7,4'-Dihydroxyflavanone", + "Liquiritigenin" + ] + }, + { + "compound_id": "C09763", + "inchi": "InChI=1S/C30H22O13/c31-12-7-17(36)21-20(8-12)42-28(10-1-3-13(32)15(34)5-10)24(25(21)39)22-18(37)9-19(38)23-26(40)27(41)29(43-30(22)23)11-2-4-14(33)16(35)6-11/h1-9,24,27-29,31-38,41H/t24-,27-,28+,29+/m0/s1", + "name": "Manniflavanone", + "names": [ + "Manniflavanone" + ] + }, + { + "compound_id": "C09764", + "inchi": "InChI=1S/C18H16O8/c1-8(19)25-18-15(23)13-12(7-11(21)17(24-2)14(13)22)26-16(18)9-3-5-10(20)6-4-9/h3-7,16,18,20-22H,1-2H3/t16-,18+/m1/s1", + "name": "6-Methoxyaromadendrin 3-O-acetate", + "names": [ + "6-Methoxyaromadendrin 3-O-acetate" + ] + }, + { + "compound_id": "C09765", + "inchi": "InChI=1/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1", + "name": "Agnuside", + "names": [ + "Agnuside" + ] + }, + { + "compound_id": "C09766", + "inchi": "InChI=1S/C15H16O7/c1-3-6-10-15(22-11(6)16)5-4-7-8(12(17)19-2)13(18)21-14(20-10)9(7)15/h3-5,7-10,13-14,18H,1-2H3/b6-3+/t7-,8-,9-,10+,13+,14+,15+/m1/s1", + "name": "Allamandin", + "names": [ + "Allamandin" + ] + }, + { + "compound_id": "C09767", + "inchi": "InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1", + "name": "Amarogentin", + "names": [ + "Amarogentin" + ] + }, + { + "compound_id": "C09768", + "inchi": "InChI=1S/C15H22O10/c1-14-9-13(22-3-2-15(9,21)10(20)11(14)25-14)24-12-8(19)7(18)6(17)5(4-16)23-12/h2-3,5-13,16-21H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11+,12+,13+,14-,15+/m1/s1", + "name": "Antirrhinoside", + "names": [ + "Antirrhinoside" + ] + }, + { + "compound_id": "C09769", + "inchi": "InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1", + "name": "Asperuloside", + "names": [ + "Asperuloside" + ] + }, + { + "compound_id": "C09770", + "inchi": "InChI=1S/C16H14O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,14-15,17-19,21-22H,1H3/t14-,15+/m0/s1", + "name": "6-Methoxytaxifolin", + "names": [ + "6-Methoxytaxifolin" + ] + }, + { + "compound_id": "C09771", + "inchi": "InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1", + "name": "Aucubin", + "names": [ + "Aucubin" + ] + }, + { + "compound_id": "C09772", + "inchi": "InChI=1S/C9H14O2/c1-6-2-3-7-4-9(10)11-5-8(6)7/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1", + "name": "Boschnialactone", + "names": [ + "Boschnialactone" + ] + }, + { + "compound_id": "C09773", + "inchi": "InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m0/s1", + "name": "Catalpol", + "names": [ + "Catalpol" + ] + }, + { + "compound_id": "C09774", + "inchi": "InChI=1S/C18H20O5/c1-21-13-6-4-12(5-7-13)10-16(19)18(20)15-9-8-14(22-2)11-17(15)23-3/h4-9,11,16,19H,10H2,1-3H3", + "name": "2'-O-Methylodoratol", + "names": [ + "2'-O-Methylodoratol", + "Methylodoratol" + ] + }, + { + "compound_id": "C09775", + "inchi": "InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20?,21+,22-/m1/s1", + "name": "Catalposide", + "names": [ + "Catalposide" + ] + }, + { + "compound_id": "C09776", + "inchi": "InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1", + "name": "Didrovaltratum", + "names": [ + "Didrovaltrate", + "Didrovaltratum" + ] + }, + { + "compound_id": "C09777", + "inchi": "InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1", + "name": "Dolichodial", + "names": [ + "Dolichodial", + "Iridial" + ] + }, + { + "compound_id": "C09778", + "inchi": "InChI=1S/C14H12O4/c1-3-4-5-9-6-7-10-11(13(15)17-2)8-18-14(16)12(9)10/h3-8H,1-2H3/b4-3+,9-5+", + "name": "Fulvoplumierin", + "names": [ + "Fulvoplumierin" + ] + }, + { + "compound_id": "C09779", + "inchi": "InChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3/t7-,9+,10-,11+,12-,13+,15+,16-,17-/m0/s1", + "name": "Gardenoside", + "names": [ + "Gardenoside" + ] + }, + { + "compound_id": "C09780", + "inchi": "InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1", + "name": "Genipin", + "names": [ + "Genipin" + ] + }, + { + "compound_id": "C09781", + "inchi": "InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1", + "name": "Geniposide", + "names": [ + "Geniposide" + ] + }, + { + "compound_id": "C09782", + "inchi": "InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1", + "name": "Gentiopicrin", + "names": [ + "Gentiopicrin", + "Gentiopicroside" + ] + }, + { + "compound_id": "C09783", + "inchi": "InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1", + "name": "Harpagoside", + "names": [ + "Harpagoside" + ] + }, + { + "compound_id": "C09784", + "inchi": "InChI=1S/C17H26O11/c1-16(23)3-4-17(24)7(13(22)25-2)6-26-15(12(16)17)28-14-11(21)10(20)9(19)8(5-18)27-14/h6,8-12,14-15,18-21,23-24H,3-5H2,1-2H3/t8-,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1", + "name": "Ipolamiide", + "names": [ + "Ipolamiide" + ] + }, + { + "compound_id": "C09785", + "inchi": "InChI=1S/C10H16O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-10H,3-4H2,1-2H3/t7-,8-,9+,10+/m0/s1", + "name": "(+)-Iridodial", + "names": [ + "(+)-Iridodial" + ] + }, + { + "compound_id": "C09786", + "inchi": "InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m0/s1", + "name": "Iridomyrmecin", + "names": [ + "Iridomyrmecin" + ] + }, + { + "compound_id": "C09787", + "inchi": "InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m1/s1", + "name": "Isoplumericin", + "names": [ + "Isoplumericin" + ] + }, + { + "compound_id": "C09788", + "inchi": "InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1", + "name": "Monotropein", + "names": [ + "Monotropein" + ] + }, + { + "compound_id": "C09789", + "inchi": "InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", + "name": "Naringin", + "names": [ + "Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]", + "Naringenin 7-O-neohesperidoside", + "Naringin" + ] + }, + { + "compound_id": "C09790", + "inchi": "InChI=1S/C10H18O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-11H,3-5H2,1-2H3/t6-,7+,8+,9+,10-/m0/s1", + "name": "(+)-Neomatatabiol", + "names": [ + "(+)-Neomatatabiol" + ] + }, + { + "compound_id": "C09791", + "inchi": "InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1", + "name": "Nepetalactone cis-trans-form", + "names": [ + "Nepetalactone cis-trans-form" + ] + }, + { + "compound_id": "C09792", + "inchi": "InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9-/m0/s1", + "name": "Nepetalactone trans-cis-form", + "names": [ + "Nepetalactone trans-cis-form" + ] + }, + { + "compound_id": "C09793", + "inchi": "InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1", + "name": "Narirutin", + "names": [ + "Naringenin 7-O-rutinoside", + "Narirutin" + ] + }, + { + "compound_id": "C09794", + "inchi": "InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14-,18+,20+,21-,22+,24+,25-/m0/s1", + "name": "Oleuropein", + "names": [ + "Oleuropein" + ] + }, + { + "compound_id": "C09795", + "inchi": "InChI=1S/C18H22O11S/c1-30-18(24)26-4-6-2-8-11-7(15(23)27-8)5-25-16(10(6)11)29-17-14(22)13(21)12(20)9(3-19)28-17/h2,5,8-14,16-17,19-22H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1", + "name": "Paederoside", + "names": [ + "Paederoside" + ] + }, + { + "compound_id": "C09796", + "inchi": "InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3+/t8-,10-,11+,14-,15+/m1/s1", + "name": "Plumericin", + "names": [ + "Plumericin" + ] + }, + { + "compound_id": "C09797", + "inchi": "InChI=1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9+,12+,13+,14+,15-,16+,19-,20-,21+/m0/s1", + "name": "Plumieride", + "names": [ + "Plumieride" + ] + }, + { + "compound_id": "C09798", + "inchi": "InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1", + "name": "Scandoside methyl ester", + "names": [ + "Scandoside methyl ester" + ] + }, + { + "compound_id": "C09799", + "inchi": "InChI=1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1", + "name": "Specionin", + "names": [ + "Specionin" + ] + }, + { + "compound_id": "C09800", + "inchi": "InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1", + "name": "Swertiamarin", + "names": [ + "Swertiamarin" + ] + }, + { + "compound_id": "C09801", + "inchi": "InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1", + "name": "Valtratum", + "names": [ + "Valtrate", + "Valtratum" + ] + }, + { + "compound_id": "C09802", + "inchi": "InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1", + "name": "Verbenalin", + "names": [ + "Cornin (glycoside)", + "Verbenalin" + ] + }, + { + "compound_id": "C09803", + "inchi": "InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20?,21?/m0/s1", + "name": "Neoastilbin", + "names": [ + "(2S,3S)-Taxifolin 3-rhamnoside", + "Neoastilbin" + ] + }, + { + "compound_id": "C09804", + "inchi": "InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8+,9+,10+/m0/s1", + "name": "(+)-Iridodial", + "names": [ + "(+)-Iridodial" + ] + }, + { + "compound_id": "C09805", + "inchi": "InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", + "name": "Neoeriocitrin", + "names": [ + "Eriodictyol 7-O-neohesperidoside", + "Neoeriocitrin" + ] + }, + { + "compound_id": "C09806", + "inchi": "InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26?,27?,28+/m0/s1", + "name": "Neohesperidin", + "names": [ + "Hesperetin 7-O-neohesperidoside", + "Neohesperidin" + ] + }, + { + "compound_id": "C09807", + "inchi": "InChI=1S/C17H18O5/c1-21-12-5-3-11(4-6-12)9-16(19)17(20)14-8-7-13(22-2)10-15(14)18/h3-8,10,16,18-19H,9H2,1-2H3", + "name": "Odoratol", + "names": [ + "Odoratol" + ] + }, + { + "compound_id": "C09808", + "inchi": "InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1", + "name": "Phellamurin", + "names": [ + "8-Prenyldihydrokaempferol 7-glucoside", + "Phellamurin" + ] + }, + { + "compound_id": "C09809", + "inchi": "InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h4-7,14-17,20-22,26,37-38H,3,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", + "name": "Cyclohex-2,5-diene-1-carboxyl-CoA", + "names": [ + "Cyclohex-2,5-diene-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09810", + "inchi": "InChI=1S/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-4,7,14-15,17,20-22,26,37-38H,5-6,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", + "name": "Cyclohex-1,4-diene-1-carboxyl-CoA", + "names": [ + "Cyclohex-1,4-diene-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09811", + "inchi": "InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", + "name": "Cyclohex-1-ene-1-carboxyl-CoA", + "names": [ + "Cyclohex-1-ene-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09812", + "inchi": "InChI=1S/C28H46N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-17,20-22,26,36,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,16?,17-,20-,21-,22?,26-/m1/s1", + "name": "2-Hydroxycyclohexane-1-carboxyl-CoA", + "names": [ + "2-Hydroxycyclohexane-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09813", + "inchi": "InChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-15,17,20-22,26,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,17-,20-,21-,22?,26-/m1/s1", + "name": "2-Ketocyclohexane-1-carboxyl-CoA", + "names": [ + "2-Ketocyclohexane-1-carboxyl-CoA", + "2-Oxocyclohexane-1-carbonyl-CoA" + ] + }, + { + "compound_id": "C09814", + "inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H", + "name": "Benzonitrile", + "names": [ + "Benzonitrile", + "Cyanobenzene", + "Phenyl cyanide" + ] + }, + { + "compound_id": "C09815", + "inchi": "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)", + "name": "Benzamide", + "names": [ + "Benzamide" + ] + }, + { + "compound_id": "C09816", + "inchi": "InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1", + "name": "Benzylsuccinate", + "names": [ + "(R)-2-Benzylsuccinate", + "Benzylsuccinate" + ] + }, + { + "compound_id": "C09817", + "inchi": "InChI=1S/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,43-44H,8-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20-,24-,25-,26?,30-/m1/s1", + "name": "Benzylsuccinyl-CoA", + "names": [ + "(R)-2-Benzylsuccinyl-CoA", + "Benzylsuccinyl-CoA" + ] + }, + { + "compound_id": "C09818", + "inchi": "InChI=1S/C32H44N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,12,16-17,20,24-26,30,43-44H,8-11,13-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-12+/t20-,24-,25-,26?,30-/m1/s1", + "name": "E-Phenylitaconyl-CoA", + "names": [ + "(E)-2-Benzylidenesuccinyl-CoA", + "E-Phenylitaconyl-CoA" + ] + }, + { + "compound_id": "C09819", + "inchi": "InChI=1S/C32H46N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,23-26,30,43-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19-,23+,24-,25-,26?,30-/m1/s1", + "name": "(Hydroxymethylphenyl)succinyl-CoA", + "names": [ + "(Hydroxymethylphenyl)succinyl-CoA" + ] + }, + { + "compound_id": "C09820", + "inchi": "InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19-,24-,25-,26?,30-/m1/s1", + "name": "Benzoylsuccinyl-CoA", + "names": [ + "2-Benzoylsuccinyl-CoA", + "Benzoylsuccinyl-CoA" + ] + }, + { + "compound_id": "C09821", + "inchi": "InChI=1S/C28H42N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h5,13-14,17,20-22,26,38-39H,3-4,6-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1", + "name": "6-Ketoxycyclohex-1-ene-1-carboxyl-CoA", + "names": [ + "6-Ketoxycyclohex-1-ene-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09822", + "inchi": "InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)", + "name": "Cyclohexane-1-carboxylate", + "names": [ + "Cyclohexane-1-carboxylate", + "Cyclohexanecarboxylic acid", + "Hexahydrobenzoic acid" + ] + }, + { + "compound_id": "C09823", + "inchi": "InChI=1S/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,3-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1", + "name": "Cyclohexane-1-carboxyl-CoA", + "names": [ + "Cyclohexane-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09824", + "inchi": "InChI=1S/C28H46N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-16,18,20-22,26,36-37,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,15?,16-,18?,20-,21-,22?,26-/m1/s1", + "name": "2,6-Dihydroxycyclohexane-1-carboxyl-CoA", + "names": [ + "2,6-Dihydroxycyclohexane-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09825", + "inchi": "InChI=1S/C28H44N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-14,16,18,20-22,26,36,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,16-,18?,20-,21-,22?,26-/m1/s1", + "name": "6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA", + "names": [ + "6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C09826", + "inchi": "InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1", + "name": "Pinobanksin", + "names": [ + "3,5,7-Trihydroxyflavanone", + "Pinobanksin" + ] + }, + { + "compound_id": "C09827", + "inchi": "InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1", + "name": "Pinocembrin", + "names": [ + "(2s)-4',7-dihydroxyflavanone", + "5,7-Dihydroxyflavanone", + "Pinocembrin" + ] + }, + { + "compound_id": "C09828", + "inchi": "InChI=1S/C27H32O13/c1-11-20(31)22(33)24(35)26(36-11)40-25-23(34)21(32)18(10-28)39-27(25)37-13-7-14(29)19-15(30)9-16(38-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-29,31-35H,9-10H2,1H3/t11-,16-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", + "name": "Pinocembrin 7-rhamnosylglucoside", + "names": [ + "Pinocembrin 7-rhamnosylglucoside" + ] + }, + { + "compound_id": "C09829", + "inchi": "InChI=1S/C29H30O8/c1-29(2,34)27-23(18-14-17(28(33)36-4)11-13-19(18)30)25-22(35-3)15-21(32)24(26(25)37-27)20(31)12-10-16-8-6-5-7-9-16/h5-9,11,13-15,23,27,30,32,34H,10,12H2,1-4H3/t23-,27-/m0/s1", + "name": "Piperaduncin B", + "names": [ + "Piperaduncin B" + ] + }, + { + "compound_id": "C09830", + "inchi": "InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26?,27?,28+/m0/s1", + "name": "Poncirin", + "names": [ + "Isosakuranetin 7-O-neohesperidoside", + "Poncirin" + ] + }, + { + "compound_id": "C09831", + "inchi": "InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1", + "name": "5'-Prenylhomoeriodictyol", + "names": [ + "5'-Prenylhomoeriodictyol", + "Sigmoidin B 3'-methyl ether" + ] + }, + { + "compound_id": "C09832", + "inchi": "InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1", + "name": "6-Prenylnaringenin", + "names": [ + "5,7,4'-Trihydroxy-6-prenylflavanone", + "6-Prenylnaringenin" + ] + }, + { + "compound_id": "C09833", + "inchi": "InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1", + "name": "Sakuranetin", + "names": [ + "Naringenin 7-methyl ether", + "Sakuranetin" + ] + }, + { + "compound_id": "C09834", + "inchi": "InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39?,40?/m1/s1", + "name": "Sanggenon C", + "names": [ + "Sanggenon C" + ] + }, + { + "compound_id": "C09835", + "inchi": "InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26-,33-,39?,40?/m1/s1", + "name": "Sanggenon D", + "names": [ + "Sanggenon D" + ] + }, + { + "compound_id": "C09836", + "inchi": "InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3", + "name": "Ascaridole", + "names": [ + "Ascaridole" + ] + }, + { + "compound_id": "C09837", + "inchi": "InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1", + "name": "(1S,2R,4S)-(-)-Bornyl acetate", + "names": [ + "(1S,2R,4S)-(-)-Bornyl acetate" + ] + }, + { + "compound_id": "C09839", + "inchi": "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1", + "name": "Car-3-ene", + "names": [ + "(-)-3-Carene", + "Car-3-ene" + ] + }, + { + "compound_id": "C09840", + "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3", + "name": "Carvacrol", + "names": [ + "Carvacrol" + ] + }, + { + "compound_id": "C09841", + "inchi": "InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9+,10-/m0/s1", + "name": "Carvone oxide", + "names": [ + "Carvone oxide" + ] + }, + { + "compound_id": "C09842", + "inchi": "InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1", + "name": "Chrysanthemic acid", + "names": [ + "Chrysanthemic acid" + ] + }, + { + "compound_id": "C09843", + "inchi": "InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3", + "name": "Chrysanthenone", + "names": [ + "Chrysanthenone" + ] + }, + { + "compound_id": "C09844", + "inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3", + "name": "1,8-Cineole", + "names": [ + "1,8-Cineol", + "1,8-Cineole" + ] + }, + { + "compound_id": "C09845", + "inchi": "InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1", + "name": "Cinerin I", + "names": [ + "Cinerin I" + ] + }, + { + "compound_id": "C09846", + "inchi": "InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1", + "name": "Cinerin II", + "names": [ + "Cinerin II" + ] + }, + { + "compound_id": "C09847", + "inchi": "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-", + "name": "cis-Citral", + "names": [ + "Neral", + "cis-Citral" + ] + }, + { + "compound_id": "C09848", + "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1", + "name": "(R)-(+)-Citronellal", + "names": [ + "(R)-(+)-Citronellal" + ] + }, + { + "compound_id": "C09849", + "inchi": "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1", + "name": "beta-Citronellol", + "names": [ + "(R)-(+)-Citronellol", + "beta-Citronellol" + ] + }, + { + "compound_id": "C09850", + "inchi": "InChI=1S/C16H23NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h4,10-11,13-14,18H,2-3,5-9H2,1H3/t10-,11+,13-,14-,16-/m1/s1", + "name": "Acrifoline", + "names": [ + "Acrifoline" + ] + }, + { + "compound_id": "C09851", + "inchi": "InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11+,12-,13-,14-,16-/m1/s1", + "name": "Annofoline", + "names": [ + "(15R)-5beta-Hydroxy-15-methyllycopodan-8-one", + "Annofoline" + ] + }, + { + "compound_id": "C09852", + "inchi": "InChI=1S/C16H21NO3/c1-14-9-15-10-4-2-6-17(15)7-3-5-16(15,19)12(14)8-11(10)20-13(14)18/h3,5,10-12,19H,2,4,6-9H2,1H3/t10-,11-,12-,14-,15+,16+/m1/s1", + "name": "Annotine", + "names": [ + "Annotine" + ] + }, + { + "compound_id": "C09853", + "inchi": "InChI=1S/C10H14O4/c1-5-6-3-4-10(2,13)8(11)7(6)14-9(5)12/h7-8,11,13H,3-4H2,1-2H3/t7-,8+,10-/m1/s1", + "name": "1,2-Dihydroxymint lactone", + "names": [ + "1,2-Dihydroxymint lactone" + ] + }, + { + "compound_id": "C09854", + "inchi": "InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3", + "name": "Diosphenol", + "names": [ + "Diosphenol" + ] + }, + { + "compound_id": "C09855", + "inchi": "InChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/t8-,9-,10?,11-,12-,13?,15+,16+/m1/s1", + "name": "Annotinine", + "names": [ + "Annotinine" + ] + }, + { + "compound_id": "C09856", + "inchi": "InChI=1S/C16H24N2O2/c1-10-7-12-9-11-3-2-4-16(20)18(11)15-6-5-14(19)13(8-10)17(12)15/h8,11-15,19H,2-7,9H2,1H3/t11-,12+,13+,14+,15-/m0/s1", + "name": "Carolinianine", + "names": [ + "Carolinianine" + ] + }, + { + "compound_id": "C09858", + "inchi": "InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1", + "name": "Evodone", + "names": [ + "Evodone" + ] + }, + { + "compound_id": "C09859", + "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3", + "name": "Fenchone", + "names": [ + "(1R,4S)-(+)-Fenchone", + "Fenchone" + ] + }, + { + "compound_id": "C09860", + "inchi": "InChI=1S/C16H26N2O/c1-11-8-12-4-2-6-15-17(12)14(9-11)10-13-5-3-7-16(19)18(13)15/h11-15H,2-10H2,1H3/t11-,12-,13-,14+,15-/m0/s1", + "name": "Cernuine", + "names": [ + "Cernuine" + ] + }, + { + "compound_id": "C09861", + "inchi": "InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+", + "name": "Geranyl acetate", + "names": [ + "Geranyl acetate" + ] + }, + { + "compound_id": "C09862", + "inchi": "InChI=1S/C16H23NO/c1-11-8-12-10-14(18)13-4-2-6-17-7-3-5-16(12,13)15(17)9-11/h9,11-13H,2-8,10H2,1H3/t11-,12+,13-,16+/m1/s1", + "name": "Fawcettidine", + "names": [ + "Fawcettidine" + ] + }, + { + "compound_id": "C09863", + "inchi": "InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1", + "name": "Linalyl acetate", + "names": [ + "Linalyl acetate" + ] + }, + { + "compound_id": "C09864", + "inchi": "InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11?,12-,13+,15-,16-/m0/s1", + "name": "Fawcettimine", + "names": [ + "Fawcettimine" + ] + }, + { + "compound_id": "C09865", + "inchi": "InChI=1S/C18H28N2O/c1-12-9-14-10-17-16(6-4-8-20(17)13(2)21)18(11-12)15(14)5-3-7-19-18/h12,14-15,19H,3-11H2,1-2H3/t12-,14-,15+,18+/m0/s1", + "name": "Flabellidine", + "names": [ + "Flabellidine" + ] + }, + { + "compound_id": "C09866", + "inchi": "InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1", + "name": "Huperzine B", + "names": [ + "Huperzine B" + ] + }, + { + "compound_id": "C09867", + "inchi": "InChI=1S/C16H23NO2/c1-9-2-10-3-14(19)15-6-12(18)8-17-7-11(15)4-13(10)16(15,17)5-9/h9-13,18H,2-8H2,1H3/t9-,10-,11+,12+,13+,15+,16+/m0/s1", + "name": "Inundatine", + "names": [ + "Inundatine" + ] + }, + { + "compound_id": "C09868", + "inchi": "InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3", + "name": "Menthofuran", + "names": [ + "Menthofuran" + ] + }, + { + "compound_id": "C09869", + "inchi": "InChI=1S/C30H49N3O/c1-18-11-22-16-28-25(23-15-27(22)29(12-18)32(4)17-23)8-7-24(31-28)14-21-10-19(2)13-30-26(21)6-5-9-33(30)20(3)34/h18-19,21-27,29-30H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25?,26+,27-,29+,30-/m1/s1", + "name": "Lucidine B", + "names": [ + "Lucidine B", + "Serratanine" + ] + }, + { + "compound_id": "C09870", + "inchi": "InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1", + "name": "(-)-Menthyl acetate", + "names": [ + "(-)-Menthyl acetate", + "Menthyl acetate", + "l-Menthyl acetate" + ] + }, + { + "compound_id": "C09871", + "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-", + "name": "Nerol", + "names": [ + "(Z)-3,7-Dimethylocta-2,6-dien-1-ol", + "Nerol" + ] + }, + { + "compound_id": "C09872", + "inchi": "InChI=1S/C13H21NO/c1-8-3-9-6-13(15)10-5-11(9)12(4-8)14(2)7-10/h8-12H,3-7H2,1-2H3/t8-,9+,10-,11-,12+/m1/s1", + "name": "Luciduline", + "names": [ + "Luciduline" + ] + }, + { + "compound_id": "C09873", + "inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+", + "name": "beta-Ocimene", + "names": [ + "beta-Ocimene" + ] + }, + { + "compound_id": "C09874", + "inchi": "InChI=1S/C16H26N2O2/c1-10-7-12-9-11-3-2-4-16(20)18(11)15-6-5-14(19)13(8-10)17(12)15/h10-15,19H,2-9H2,1H3/t10-,11+,12-,13-,14-,15+/m1/s1", + "name": "Lycocernuine", + "names": [ + "Lycocernuine" + ] + }, + { + "compound_id": "C09875", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1", + "name": "(R)-(-)-alpha-Phellandrene", + "names": [ + "(R)-(-)-alpha-Phellandrene" + ] + }, + { + "compound_id": "C09876", + "inchi": "InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12-,13+,16+/m0/s1", + "name": "Lycodine", + "names": [ + "Lycodine" + ] + }, + { + "compound_id": "C09877", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m0/s1", + "name": "(+)-beta-Phellandrene", + "names": [ + "(+)-beta-Phellandrene" + ] + }, + { + "compound_id": "C09878", + "inchi": "InChI=1S/C18H29NO4/c1-11-10-17-13-5-3-7-19(17)8-4-6-18(17,22)14(16(11)21)9-15(13)23-12(2)20/h11,13-16,21-22H,3-10H2,1-2H3/t11-,13+,14+,15+,16+,17-,18-/m0/s1", + "name": "Lycofawcine", + "names": [ + "Lycofawcine" + ] + }, + { + "compound_id": "C09879", + "inchi": "InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12?,13-,16-,17+/m0/s1", + "name": "Lycoflexine", + "names": [ + "Lycoflexine" + ] + }, + { + "compound_id": "C09880", + "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3", + "name": "alpha-Pinene", + "names": [ + "alpha-Pinene" + ] + }, + { + "compound_id": "C09881", + "inchi": "InChI=1S/C17H25NO3/c1-12(16(20)21-2)11-17-13-5-3-9-18(17)10-4-6-14(17)15(19)8-7-13/h3,5,7,12,14-15,19H,4,6,8-11H2,1-2H3/t12-,14-,15-,17-/m1/s1", + "name": "Lyconnotine", + "names": [ + "Lyconnotine" + ] + }, + { + "compound_id": "C09882", + "inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3", + "name": "beta-Pinene", + "names": [ + "beta-Pinene" + ] + }, + { + "compound_id": "C09883", + "inchi": "InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12-,13+,14+,16+/m0/s1", + "name": "Lycopodine", + "names": [ + "Lycopodine" + ] + }, + { + "compound_id": "C09884", + "inchi": "InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3", + "name": "Pinocarvone", + "names": [ + "Pinocarvone" + ] + }, + { + "compound_id": "C09885", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1", + "name": "(+)-Piperitone", + "names": [ + "(+)-Piperitone", + "d-Piperitone" + ] + }, + { + "compound_id": "C09886", + "inchi": "InChI=1S/C17H25NO2/c1-10-5-12-7-14(19)16-13-3-4-18(2)9-11(13)8-17(12,16)15(20)6-10/h6,11-14,16,19H,3-5,7-9H2,1-2H3/t11-,12+,13+,14+,16+,17-/m1/s1", + "name": "Magellanine", + "names": [ + "Magellanine" + ] + }, + { + "compound_id": "C09887", + "inchi": "InChI=1S/C10H14O2/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-5,8-12H,1,3H2,2H3/t8-,9+,10-/m0/s1", + "name": "Piquerol A", + "names": [ + "Piquerol A" + ] + }, + { + "compound_id": "C09888", + "inchi": "InChI=1S/C20H29NO3/c1-11-9-14-18-17(16(12(2)22)19(23)24-18)13-5-3-7-21-8-4-6-20(13,14)15(21)10-11/h10-14,16-18,22H,3-9H2,1-2H3/t11?,12-,13-,14+,16+,17+,18+,20-/m1/s1", + "name": "Megastachine", + "names": [ + "Megastachine" + ] + }, + { + "compound_id": "C09889", + "inchi": "InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13+,17+/m0/s1", + "name": "alpha-Obscurine", + "names": [ + "alpha-Obscurine" + ] + }, + { + "compound_id": "C09890", + "inchi": "InChI=1S/C17H24N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)/t11-,12-,13+,17+/m0/s1", + "name": "beta-Obscurine", + "names": [ + "beta-Obscurine" + ] + }, + { + "compound_id": "C09891", + "inchi": "InChI=1S/C30H49N3O2/c1-18-11-22-15-29-30(35,23-16-26(22)27(12-18)32(4)17-23)8-7-24(31-29)14-21-10-19(2)13-28-25(21)6-5-9-33(28)20(3)34/h18-19,21-28,35H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,30+/m1/s1", + "name": "Oxolucidine B", + "names": [ + "Oxolucidine B", + "Serratanine B" + ] + }, + { + "compound_id": "C09892", + "inchi": "InChI=1S/C16H30N2/c1-12-9-13(11-14-5-2-3-7-17-14)15-6-4-8-18-16(15)10-12/h12-18H,2-11H2,1H3/t12-,13+,14+,15-,16-/m1/s1", + "name": "Phlegmarine", + "names": [ + "Phlegmarine" + ] + }, + { + "compound_id": "C09893", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1", + "name": "Pulegone", + "names": [ + "(+)-Pulegone", + "Pulegone" + ] + }, + { + "compound_id": "C09894", + "inchi": "InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1", + "name": "Pyrethrin II", + "names": [ + "Pyrethrin II" + ] + }, + { + "compound_id": "C09895", + "inchi": "InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13-,17+/m0/s1", + "name": "Sauroxine", + "names": [ + "Sauroxine" + ] + }, + { + "compound_id": "C09896", + "inchi": "InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10+/m1/s1", + "name": "Rotundifolone", + "names": [ + "Lippione", + "Rotundifolone" + ] + }, + { + "compound_id": "C09897", + "inchi": "InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-5,8,10H,6-7,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15+/m0/s1", + "name": "Selagine", + "names": [ + "Selagine" + ] + }, + { + "compound_id": "C09898", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3", + "name": "alpha-Terpinene", + "names": [ + "alpha-Terpinene" + ] + }, + { + "compound_id": "C09899", + "inchi": "InChI=1S/C16H25NO4/c1-14(21)9-12(19)15-4-2-6-17-7-3-5-16(15,17)11(18)8-10(15)13(14)20/h10,12-13,19-21H,2-9H2,1H3/t10-,12+,13-,14-,15-,16+/m1/s1", + "name": "Serratanidine", + "names": [ + "Serratanidine" + ] + }, + { + "compound_id": "C09900", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3", + "name": "gamma-Terpinene", + "names": [ + "gamma-Terpinene" + ] + }, + { + "compound_id": "C09901", + "inchi": "InChI=1S/C16H25NO3/c1-14(20)9-11-8-12(18)16-5-3-7-17(16)6-2-4-15(11,16)13(19)10-14/h11,13,19-20H,2-10H2,1H3/t11-,13+,14+,15-,16+/m1/s1", + "name": "Serratine", + "names": [ + "Serratine" + ] + }, + { + "compound_id": "C09902", + "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1", + "name": "(R)-(+)-alpha-Terpineol", + "names": [ + "(R)-(+)-alpha-Terpineol" + ] + }, + { + "compound_id": "C09903", + "inchi": "InChI=1S/C30H49N3O2/c1-18-10-21(25-6-5-9-33(20(3)34)28(25)13-18)14-24-7-8-29(35)30(31-24)16-22-11-19(2)12-27-26(22)15-23(30)17-32(27)4/h18-19,21-28,31H,5-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27-,28-,30-/m0/s1", + "name": "Spirolucidine", + "names": [ + "Spirolucidine" + ] + }, + { + "compound_id": "C09904", + "inchi": "InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)", + "name": "beta-Thujaplicin", + "names": [ + "4-Isopropyltropolone", + "Hinokitiol", + "beta-Thujaplicin" + ] + }, + { + "compound_id": "C09905", + "inchi": "InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)", + "name": "gamma-Thujaplicin", + "names": [ + "5-Isopropyltropolone", + "gamma-Thujaplicin" + ] + }, + { + "compound_id": "C09906", + "inchi": "InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8?,10?/m1/s1", + "name": "Thujone", + "names": [ + "Thujone" + ] + }, + { + "compound_id": "C09907", + "inchi": "InChI=1S/C10H12N2O2/c1-6-8-4-11-5-9(14-2)7(8)3-10(13)12-6/h4-6H,3H2,1-2H3,(H,12,13)", + "name": "Acanthicifoline", + "names": [ + "Acanthicifoline" + ] + }, + { + "compound_id": "C09908", + "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3", + "name": "Thymol", + "names": [ + "Thymol" + ] + }, + { + "compound_id": "C09909", + "inchi": "InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3", + "name": "Thymyl acetate", + "names": [ + "Thymyl acetate" + ] + }, + { + "compound_id": "C09910", + "inchi": "InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3/t7-/m0/s1", + "name": "Actinidine", + "names": [ + "Actinidine" + ] + }, + { + "compound_id": "C09911", + "inchi": "InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3", + "name": "Umbellulone", + "names": [ + "(-)-Umbellulone", + "Umbellulone" + ] + }, + { + "compound_id": "C09912", + "inchi": "InChI=1S/C11H17N3O/c1-4-11(3)6-5-8-7(2)9(15)13-10(12)14(8)11/h4,7-8H,1,5-6H2,2-3H3,(H2,12,13,15)/t7-,8-,11?/m0/s1", + "name": "Arenaine", + "names": [ + "Arenaine" + ] + }, + { + "compound_id": "C09913", + "inchi": "InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3", + "name": "Verbenone", + "names": [ + "Verbenone" + ] + }, + { + "compound_id": "C09914", + "inchi": "InChI=1S/C16H23NO8/c1-2-7-8-3-4-17-14(22)9(8)6-23-15(7)25-16-13(21)12(20)11(19)10(5-18)24-16/h2,6-8,10-13,15-16,18-21H,1,3-5H2,(H,17,22)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1", + "name": "Bakankoside", + "names": [ + "Bakankoside" + ] + }, + { + "compound_id": "C09915", + "inchi": "InChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3/t7-/m1/s1", + "name": "Boschniakine", + "names": [ + "(R)-6,7-Dihydro-7-methyl-5H-2-pyrindine-4-carbaldehyde", + "Boschniakine" + ] + }, + { + "compound_id": "C09916", + "inchi": "InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3", + "name": "Acrovestone", + "names": [ + "Acrovestone" + ] + }, + { + "compound_id": "C09917", + "inchi": "InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+", + "name": "Arnebinol", + "names": [ + "Arnebinol" + ] + }, + { + "compound_id": "C09918", + "inchi": "InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3", + "name": "Aucuparin", + "names": [ + "3,5-Dimethoxy-(1,1'-biphenyl)-4-ol", + "Aucuparin" + ] + }, + { + "compound_id": "C09919", + "inchi": "InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1", + "name": "Bergenin", + "names": [ + "Bergenin" + ] + }, + { + "compound_id": "C09920", + "inchi": "InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1", + "name": "Brazilin", + "names": [ + "Brazilin" + ] + }, + { + "compound_id": "C09921", + "inchi": "InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7-", + "name": "3-Butylidene-7-hydroxyphthalide", + "names": [ + "3-Butylidene-7-hydroxyphthalide" + ] + }, + { + "compound_id": "C09922", + "inchi": "InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1", + "name": "Cleomiscosin A", + "names": [ + "Cleomiscosin A" + ] + }, + { + "compound_id": "C09923", + "inchi": "InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3", + "name": "Cyperine", + "names": [ + "Cyperine" + ] + }, + { + "compound_id": "C09924", + "inchi": "InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)27-20-12(26-18)5-3-10-4-6-16(22)28-19(10)20/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m1/s1", + "name": "Daphneticin", + "names": [ + "Daphneticin" + ] + }, + { + "compound_id": "C09925", + "inchi": "InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+", + "name": "5,6-Dehydrokawain", + "names": [ + "5,6-Dehydrokawain" + ] + }, + { + "compound_id": "C09926", + "inchi": "InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m0/s1", + "name": "Dihydromethysticin", + "names": [ + "Dihydromethysticin" + ] + }, + { + "compound_id": "C09927", + "inchi": "InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3/t14?,15-,18-,23-/m1/s1", + "name": "Euglobal-Ia1", + "names": [ + "Euglobal-Ia1" + ] + }, + { + "compound_id": "C09928", + "inchi": "InChI=1S/C13H16O3/c1-7-4-10-9(6-12(7)16-3)11(14)5-8(2)13(10)15/h4,6,8,11,14H,5H2,1-3H3/t8-,11+/m1/s1", + "name": "Flossonol", + "names": [ + "Flossonol" + ] + }, + { + "compound_id": "C09929", + "inchi": "InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1", + "name": "Garcinol", + "names": [ + "Garcinol" + ] + }, + { + "compound_id": "C09930", + "inchi": "InChI=1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1", + "name": "Goniothalenol", + "names": [ + "Altholactone", + "Goniothalenol" + ] + }, + { + "compound_id": "C09931", + "inchi": "InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1", + "name": "Haematoxylin", + "names": [ + "Haematoxylin" + ] + }, + { + "compound_id": "C09932", + "inchi": "InChI=1S/C32H34O14/c1-42-17-9-14-10-18(24(36)22-15(13-5-3-2-4-6-13)7-8-16(21(14)22)23(17)35)43-31-29(41)27(39)30(20(12-34)45-31)46-32-28(40)26(38)25(37)19(11-33)44-32/h2-10,19-20,25-35,37-41H,11-12H2,1H3/t19-,20-,25-,26+,27-,28-,29-,30?,31-,32?/m1/s1", + "name": "Haemocorin", + "names": [ + "Haemocorin" + ] + }, + { + "compound_id": "C09933", + "inchi": "InChI=1S/C11H13NO3/c1-6-8-4-12-5-9(11(14)15-2)7(8)3-10(6)13/h4-6,10,13H,3H2,1-2H3/t6-,10+/m1/s1", + "name": "Cantleyine", + "names": [ + "Cantleyine" + ] + }, + { + "compound_id": "C09934", + "inchi": "InChI=1S/C44H51NO17/c1-9-28-17-18-31(51)60-34-22(2)44-37(61-40(52)29-14-11-10-12-15-29)32(42(8,62-44)20-55-41(53)30-16-13-19-45-33(28)30)35(56-24(4)47)38(58-26(6)49)43(44,21-54-23(3)46)39(59-27(7)50)36(34)57-25(5)48/h10-16,19,22,28,32,34-39H,9,17-18,20-21H2,1-8H3/t22-,28-,32-,34-,35-,36+,37+,38-,39+,42+,43-,44-/m1/s1", + "name": "Cassinine", + "names": [ + "Cassinine" + ] + }, + { + "compound_id": "C09935", + "inchi": "InChI=1S/C38H40N2O11/c1-22-17-29(47-23(2)41)31(48-24(3)42)37(21-46-33(43)26-13-9-15-39-19-26)32(50-34(44)25-11-7-6-8-12-25)30(28-18-38(22,37)51-36(28,4)5)49-35(45)27-14-10-16-40-20-27/h6-16,19-20,22,28-32H,17-18,21H2,1-5H3/t22-,28+,29+,30-,31+,32+,37+,38+/m1/s1", + "name": "Catheduline E2", + "names": [ + "Catheduline E2" + ] + }, + { + "compound_id": "C09936", + "inchi": "InChI=1S/C16H18O3/c1-8-6-14-15(10(3)16(17)19-14)12-5-9(2)13(18-4)7-11(8)12/h5,7-8,14H,6H2,1-4H3/t8-,14+/m1/s1", + "name": "Heritonin", + "names": [ + "Heritonin" + ] + }, + { + "compound_id": "C09937", + "inchi": "InChI=1S/C30H35NO10/c1-16-9-10-21(37-17(2)32)29(6)25(40-26(34)19-8-7-12-31-14-19)23(38-18(3)33)22-24(30(16,29)41-28(22,4)5)39-27(35)20-11-13-36-15-20/h7-8,11-16,21-25H,9-10H2,1-6H3/t16?,21-,22+,23+,24-,25-,29-,30+/m0/s1", + "name": "Celapanine", + "names": [ + "Celapanine" + ] + }, + { + "compound_id": "C09938", + "inchi": "InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1", + "name": "(+)-8-Hydroxycalamenene", + "names": [ + "(+)-8-Hydroxycalamenene" + ] + }, + { + "compound_id": "C09939", + "inchi": "InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1", + "name": "Strobopinin", + "names": [ + "Strobopinin" + ] + }, + { + "compound_id": "C09940", + "inchi": "InChI=1S/C22H38N6O4/c1-13-5-3-7-15(17-9-25-21(23)27-17)20(30)32-12-14(2)6-4-8-16(19(29)31-11-13)18-10-26-22(24)28-18/h13-18H,3-12H2,1-2H3,(H3,23,25,27)(H3,24,26,28)/t13-,14-,15-,16-,17+,18+/m1/s1", + "name": "Chaksine", + "names": [ + "Chaksine" + ] + }, + { + "compound_id": "C09941", + "inchi": "InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,35-36,38H,5,15-19H2,1-4,6-7H3/t24-,26-,32+/m1/s1", + "name": "Hypercalin B", + "names": [ + "Hypercalin B" + ] + }, + { + "compound_id": "C09942", + "inchi": "InChI=1S/C17H20O4/c1-9-5-11-6-12-7-13(19-3)8-14(20-4)16(12)17(18)15(11)10(2)21-9/h6-10,18H,5H2,1-4H3/t9-,10+/m0/s1", + "name": "Karwinaphthol B", + "names": [ + "Karwinaphthol B" + ] + }, + { + "compound_id": "C09943", + "inchi": "InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,16+/m1/s1", + "name": "Dendrobine", + "names": [ + "Dendrobine" + ] + }, + { + "compound_id": "C09944", + "inchi": "InChI=1S/C32H32O7/c1-15-8-23-21(16(2)39-15)12-22-24(10-19(37-4)11-26(22)38-5)29(23)20-7-6-17-9-18-13-32(3,36)14-25(33)27(18)31(35)28(17)30(20)34/h6-7,9-12,15-16,34-36H,8,13-14H2,1-5H3", + "name": "Karwinskione", + "names": [ + "Karwinskione" + ] + }, + { + "compound_id": "C09945", + "inchi": "InChI=1S/C15H23NO/c1-11-3-5-14-12(2)4-6-15(16(14)9-11)13-7-8-17-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-/m0/s1", + "name": "Deoxynupharidine", + "names": [ + "Deoxynupharidine" + ] + }, + { + "compound_id": "C09946", + "inchi": "InChI=1S/C10H13NO4/c1-2-7(6-12)10(14)3-4-15-9(13)8(10)5-11/h2,5-7,14H,1,3-4,11H2/b8-5-", + "name": "Enicoflavine", + "names": [ + "3-(Aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-2H-pyran-4-acetaldehyde", + "Enicoflavine" + ] + }, + { + "compound_id": "C09947", + "inchi": "InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1", + "name": "Kawain", + "names": [ + "Kawain" + ] + }, + { + "compound_id": "C09948", + "inchi": "InChI=1S/C33H42O4/c1-22(2)12-11-13-25(7)19-21-33(20-18-24(5)6)31(36)27(17-16-23(3)4)30(35)28(32(33)37)29(34)26-14-9-8-10-15-26/h8-10,12,14-16,18-19,35-36H,11,13,17,20-21H2,1-7H3/b25-19+/t33-/m1/s1", + "name": "Kolanone", + "names": [ + "Kolanone" + ] + }, + { + "compound_id": "C09949", + "inchi": "InChI=1S/C14H21NO/c1-9-5-8-12(14(3,4)16)13-11(9)7-6-10(2)15-13/h6-7,9,12,16H,5,8H2,1-4H3/t9-,12+/m0/s1", + "name": "Fabianine", + "names": [ + "Fabianine" + ] + }, + { + "compound_id": "C09950", + "inchi": "InChI=1S/C16H16O2/c1-16(2)9-8-11-10-14(17-3)12-6-4-5-7-13(12)15(11)18-16/h4-10H,1-3H3", + "name": "Lapachenole", + "names": [ + "Lapachenole" + ] + }, + { + "compound_id": "C09951", + "inchi": "InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H", + "name": "Maclurin", + "names": [ + "Maclurin" + ] + }, + { + "compound_id": "C09952", + "inchi": "InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2+/t11-/m0/s1", + "name": "Methysticin", + "names": [ + "Methysticin" + ] + }, + { + "compound_id": "C09953", + "inchi": "InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1", + "name": "Monocerin", + "names": [ + "Monocerin" + ] + }, + { + "compound_id": "C09954", + "inchi": "InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3", + "name": "Nepodin", + "names": [ + "1-(1,8-Dihydroxy-3-methylnaphthalen-2-yl)ethanone", + "Musizin", + "Nepodin" + ] + }, + { + "compound_id": "C09955", + "inchi": "InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1", + "name": "Ochratoxin A", + "names": [ + "Ochratoxin A" + ] + }, + { + "compound_id": "C09956", + "inchi": "InChI=1S/C23H16O5/c24-10-5-6-12-14(7-10)23-20-13(11-3-1-2-4-18(11)28-23)8-15(25)21-17(27)9-16(26)19(12)22(20)21/h1-7,9,13,20,23-24,26-27H,8H2/t13-,20+,23+/m1/s1", + "name": "Ohioensin-A", + "names": [ + "Ohioensin-A" + ] + }, + { + "compound_id": "C09957", + "inchi": "InChI=1S/C8H7NO2/c10-8-7-5-9-3-1-6(7)2-4-11-8/h1,3,5H,2,4H2", + "name": "Gentianadine", + "names": [ + "Gentianadine" + ] + }, + { + "compound_id": "C09958", + "inchi": "InChI=1S/C12H12O5/c1-6(13)2-9-4-7-3-8(14)5-10(15)11(7)12(16)17-9/h3-6,13-15H,2H2,1H3/t6-/m0/s1", + "name": "Orthosporin", + "names": [ + "Orthosporin" + ] + }, + { + "compound_id": "C09959", + "inchi": "InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1", + "name": "Paeoniflorin", + "names": [ + "Paeoniflorin" + ] + }, + { + "compound_id": "C09960", + "inchi": "InChI=1S/C6H7NO3/c7-3-4-5(8)1-2-10-6(4)9/h3H,1-2,7H2/b4-3+", + "name": "Gentianaine", + "names": [ + "Gentianaine" + ] + }, + { + "compound_id": "C09961", + "inchi": "InChI=1S/C11H11NO3/c1-2-7-3-12-4-9-10(7)8(5-13)6-15-11(9)14/h2-4,8,13H,1,5-6H2", + "name": "Gentianamine", + "names": [ + "Gentianamine" + ] + }, + { + "compound_id": "C09962", + "inchi": "InChI=1S/C10H11NO3/c1-6-9(5-12)7-2-3-14-10(13)8(7)4-11-6/h4-6,11H,2-3H2,1H3", + "name": "Gentioflavine", + "names": [ + "Gentioflavine" + ] + }, + { + "compound_id": "C09963", + "inchi": "InChI=1S/C12H12O4/c1-6-7(2)16-12(14)11-9(6)4-8(15-3)5-10(11)13/h4-5,13H,1-3H3", + "name": "Polygonolide", + "names": [ + "Polygonolide" + ] + }, + { + "compound_id": "C09964", + "inchi": "InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)", + "name": "Purpurogallin", + "names": [ + "Purpurogallin" + ] + }, + { + "compound_id": "C09965", + "inchi": "InChI=1S/C16H24O7/c1-9(2-3-10-4-6-11(18)7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,9,12-21H,2-3,8H2,1H3/t9?,12-,13-,14+,15-,16?/m1/s1", + "name": "Rhododendrin", + "names": [ + "Rhododendrin" + ] + }, + { + "compound_id": "C09966", + "inchi": "InChI=1S/C23H30O5/c1-12(2)7-13-9-23(6-5-14-8-17(23)22(14,3)4)28-21-16(11-25)19(26)15(10-24)20(27)18(13)21/h10-14,17,26-27H,5-9H2,1-4H3/t13-,14-,17+,23+/m0/s1", + "name": "Robustadial A", + "names": [ + "Robustadial A" + ] + }, + { + "compound_id": "C09967", + "inchi": "InChI=1S/C17H14O8/c1-7(18)24-17-15(23)14-12(22)5-9(19)6-13(14)25-16(17)8-2-3-10(20)11(21)4-8/h2-6,16-17,19-22H,1H3/t16-,17+/m1/s1", + "name": "Taxifolin 3-O-acetate", + "names": [ + "Taxifolin 3-O-acetate" + ] + }, + { + "compound_id": "C09968", + "inchi": "InChI=1S/C25H30O9/c1-10(2)7-16(27)17-22(31)14(21(30)15(9-26)24(17)33)8-13-20(29)12(5)25(34-6)18(23(13)32)19(28)11(3)4/h9-11,29-33H,7-8H2,1-6H3", + "name": "Robustaol A", + "names": [ + "Robustaol A" + ] + }, + { + "compound_id": "C09969", + "inchi": "InChI=1S/C31H34O8/c1-16(2)12-13-39-22-15-21(32)19(27(35)23(22)26(34)18-10-8-7-9-11-18)14-20-28(36)24(25(33)17(3)4)30(38)31(5,6)29(20)37/h7-12,15,17,32,35,37-38H,13-14H2,1-6H3", + "name": "Sarothralin", + "names": [ + "Sarothralin" + ] + }, + { + "compound_id": "C09970", + "inchi": "InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3/t17-,18+/m1/s1", + "name": "Tephrowatsin A", + "names": [ + "Tephrowatsin A" + ] + }, + { + "compound_id": "C09971", + "inchi": "InChI=1S/C26H22O6/c1-11-9-15-5-7-17(23(29)21(15)25(31)19(11)13(3)27)18-8-6-16-10-12(2)20(14(4)28)26(32)22(16)24(18)30/h5-10,29-32H,1-4H3", + "name": "Stypandrol", + "names": [ + "Stypandrol" + ] + }, + { + "compound_id": "C09972", + "inchi": "InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1", + "name": "Theasinensin A", + "names": [ + "Theasinensin A" + ] + }, + { + "compound_id": "C09973", + "inchi": "InChI=1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2/t19-,21-,22+,23-,25-,27?/m1/s1", + "name": "Tremulacin", + "names": [ + "Tremulacin" + ] + }, + { + "compound_id": "C09974", + "inchi": "InChI=1S/C10H10O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-3,7-8,11-13H,4H2", + "name": "2,4,8-Trihydroxy-1-tetralone", + "names": [ + "2,4,8-Trihydroxy-1-tetralone" + ] + }, + { + "compound_id": "C09975", + "inchi": "InChI=1S/C16H14O5/c17-9-11-13(19)8-14(20)15(16(11)21)12(18)7-6-10-4-2-1-3-5-10/h1-5,8-9,19-21H,6-7H2", + "name": "2',4',6'-Trihydroxy-3'-formyldihydrochalcone", + "names": [ + "2',4',6'-Trihydroxy-3'-formyldihydrochalcone" + ] + }, + { + "compound_id": "C09976", + "inchi": "InChI=1S/C20H22O4/c1-9-5-6-20(4)13(11(9)3)8-14(21)15-16(20)18(23)19-12(17(15)22)7-10(2)24-19/h8,10,22-23H,5-7H2,1-4H3/t10-,20-/m0/s1", + "name": "Uncinatone", + "names": [ + "Uncinatone" + ] + }, + { + "compound_id": "C09977", + "inchi": "InChI=1S/C25H30O5/c1-15(2)6-5-7-16(3)8-9-30-19-11-17-10-18-13-25(4,29)14-21(27)23(18)24(28)22(17)20(26)12-19/h6,8,10-12,26,28-29H,5,7,9,13-14H2,1-4H3/b16-8+", + "name": "Vismione D", + "names": [ + "Vismione D" + ] + }, + { + "compound_id": "C09978", + "inchi": "InChI=1S/C23H22O5/c1-28-21-14-20(26)17(13-16-9-5-6-10-18(16)24)23(27)22(21)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3", + "name": "Uvaretin", + "names": [ + "Uvaretin" + ] + }, + { + "compound_id": "C09979", + "inchi": "InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/t27-,28+,37+,38-/m1/s1", + "name": "Xanthochymol", + "names": [ + "Xanthochymol" + ] + }, + { + "compound_id": "C09980", + "inchi": "InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+", + "name": "Yangonin", + "names": [ + "4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one", + "Yangonin" + ] + }, + { + "compound_id": "C09981", + "inchi": "InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1", + "name": "Zearalenone", + "names": [ + "Zearalenone" + ] + }, + { + "compound_id": "C09982", + "inchi": "InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)12-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-12/h4-7,19,21-22H,1-3H3", + "name": "Acerosin", + "names": [ + "Acerosin" + ] + }, + { + "compound_id": "C09983", + "inchi": "InChI=1S/C15H18O5/c1-8(2)5-6-19-11-7-10-12(13(18-4)9(11)3)15(17)20-14(10)16/h5,7,15,17H,6H2,1-4H3", + "name": "Zinnolide", + "names": [ + "Zinnolide" + ] + }, + { + "compound_id": "C09984", + "inchi": "InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1/t13-/m0/s1", + "name": "N-(p-Hydroxyphenethyl)actinidine", + "names": [ + "N-(p-Hydroxyphenethyl)actinidine" + ] + }, + { + "compound_id": "C09985", + "inchi": "InChI=1S/C11H12N2O3/c1-6-8-4-12-5-9(11(15)16-2)7(8)3-10(14)13-6/h4-6H,3H2,1-2H3,(H,13,14)/t6-/m0/s1", + "name": "Jasminine", + "names": [ + "Jasminine" + ] + }, + { + "compound_id": "C09986", + "inchi": "InChI=1S/C11H13NO3/c1-6-3-9(13)10-7(6)4-12-5-8(10)11(14)15-2/h4-6,9,13H,3H2,1-2H3/t6-,9-/m1/s1", + "name": "Rhexifoline", + "names": [ + "Rhexifoline" + ] + }, + { + "compound_id": "C09987", + "inchi": "InChI=1S/C11H21N/c1-8-4-5-10-9(2)6-12(3)7-11(8)10/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11-/m0/s1", + "name": "beta-Skytanthine", + "names": [ + "beta-Skytanthine" + ] + }, + { + "compound_id": "C09988", + "inchi": "InChI=1S/C11H17NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h4,7-8,10H,5-6H2,1-3H3/t7-,8-,10-/m0/s1", + "name": "Tecomine", + "names": [ + "Tecomanine", + "Tecomine" + ] + }, + { + "compound_id": "C09989", + "inchi": "InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3", + "name": "Tecostanine", + "names": [ + "Tecostanine" + ] + }, + { + "compound_id": "C09990", + "inchi": "InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1", + "name": "Thiobinupharidine", + "names": [ + "Thiobinupharidine" + ] + }, + { + "compound_id": "C09991", + "inchi": "InChI=1S/C11H15NO/c1-8-3-4-10-9(7-13-2)5-12-6-11(8)10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1", + "name": "Valerianine", + "names": [ + "Valerianine" + ] + }, + { + "compound_id": "C09992", + "inchi": "InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32+,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1", + "name": "Wilfordine", + "names": [ + "Wilfordine" + ] + }, + { + "compound_id": "C09993", + "inchi": "InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1", + "name": "Adouetine X", + "names": [ + "Adouetine X" + ] + }, + { + "compound_id": "C09994", + "inchi": "InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-/t23-,28-,29-,30-,31+/m0/s1", + "name": "Adouetine Y", + "names": [ + "Adouetine Y" + ] + }, + { + "compound_id": "C09995", + "inchi": "InChI=1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1", + "name": "Adouetine Z", + "names": [ + "Adouetine Z" + ] + }, + { + "compound_id": "C09996", + "inchi": "InChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14-/t25-,26-,27-,28-/m0/s1", + "name": "Americine", + "names": [ + "Americine" + ] + }, + { + "compound_id": "C09997", + "inchi": "InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27-,28-,29-,30-/m0/s1", + "name": "Amphibine A", + "names": [ + "Amphibine A" + ] + }, + { + "compound_id": "C09998", + "inchi": "InChI=1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-/t26-,31-,32-,33-,34-,35-/m0/s1", + "name": "Amphibine B", + "names": [ + "Amphibine B" + ] + }, + { + "compound_id": "C09999", + "inchi": "InChI=1S/C34H38N4O5/c1-5-22(2)29(38(3)4)34(42)37-28-31(25-14-10-7-11-15-25)43-26-18-16-23(17-19-26)20-21-35-32(40)27(36-33(28)41)30(39)24-12-8-6-9-13-24/h6-22,27-29,31H,5H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/b21-20-/t22?,27-,28-,29-,31+/m0/s1", + "name": "Aralionine A", + "names": [ + "Aralionine A" + ] + }, + { + "compound_id": "C10000", + "inchi": "InChI=1S/C33H36N4O4/c1-36(2)28(22-24-10-5-3-6-11-24)32(39)35-29-30(25-12-7-4-8-13-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27-14-9-21-37(27)33(29)40/h3-8,10-13,15-20,27-30H,9,14,21-22H2,1-2H3,(H,34,38)(H,35,39)/b20-19-/t27-,28-,29-,30+/m0/s1", + "name": "Canthiumine", + "names": [ + "Canthiumine" + ] + }, + { + "compound_id": "C10001", + "inchi": "InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26-/m0/s1", + "name": "Ceanothine B", + "names": [ + "Ceanothine B" + ] + }, + { + "compound_id": "C10002", + "inchi": "InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30-,31+/m0/s1", + "name": "Crenatine A", + "names": [ + "Crenatine A" + ] + }, + { + "compound_id": "C10003", + "inchi": "InChI=1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19?,22-,23-,24-,25-/m0/s1", + "name": "Frangulanine", + "names": [ + "Frangulanine" + ] + }, + { + "compound_id": "C10004", + "inchi": "InChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)/t22-,28-,30-,31-,32+/m0/s1", + "name": "Hymenocardine", + "names": [ + "Hymenocardine" + ] + }, + { + "compound_id": "C10005", + "inchi": "InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28-/m1/s1", + "name": "Integerrenine", + "names": [ + "Integerrenine" + ] + }, + { + "compound_id": "C10006", + "inchi": "InChI=1S/C33H38N4O4/c1-22(2)29(37(3)4)33(40)36-28-30(25-13-9-6-10-14-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27(35-32(28)39)21-24-11-7-5-8-12-24/h5-20,22,27-30H,21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/b20-19-/t27-,28-,29-,30+/m0/s1", + "name": "Integerressine", + "names": [ + "Integerressine" + ] + }, + { + "compound_id": "C10007", + "inchi": "InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-/t29-,30-,31-,32+/m0/s1", + "name": "Integerrine", + "names": [ + "Integerrine" + ] + }, + { + "compound_id": "C10008", + "inchi": "InChI=1S/C39H49N5O7/c1-24(2)30(42-38(49)33(44(6)7)34(46)27-14-10-8-11-15-27)37(48)43-32(36(47)41-23-22-26-18-20-29(45)21-19-26)35(28-16-12-9-13-17-28)51-39(50)31(40-5)25(3)4/h8-23,25,31-35,40,45-46H,1-7H3,(H,41,47)(H,42,49)(H,43,48)/b23-22-/t31-,32+,33+,34?,35-/m0/s1", + "name": "Lasiodine A", + "names": [ + "Lasiodine A" + ] + }, + { + "compound_id": "C10009", + "inchi": "InChI=1S/C29H38N4O4/c1-6-19(2)26-29(36)31-23(17-20-10-8-7-9-11-20)27(34)30-15-14-21-12-13-25(37-5)22(16-21)18-24(33(3)4)28(35)32-26/h7-16,19,23-24,26H,6,17-18H2,1-5H3,(H,30,34)(H,31,36)(H,32,35)/b15-14-/t19-,23-,24-,26-/m0/s1", + "name": "Mucronine A", + "names": [ + "Mucronine A" + ] + }, + { + "compound_id": "C10010", + "inchi": "InChI=1S/C28H36N4O4/c1-5-18(2)25-28(35)31-23(16-19-9-7-6-8-10-19)26(33)30-14-13-20-11-12-24(36-4)21(15-20)17-22(29-3)27(34)32-25/h6-15,18,22-23,25,29H,5,16-17H2,1-4H3,(H,30,33)(H,31,35)(H,32,34)/b14-13-/t18-,22-,23-,25-/m0/s1", + "name": "Mucronine B", + "names": [ + "Mucronine B" + ] + }, + { + "compound_id": "C10011", + "inchi": "InChI=1S/C23H32N4O4/c1-5-15(2)20-22(29)24-12-10-16-6-8-17(9-7-16)31-18-11-13-27(19(28)14-26(3)4)21(18)23(30)25-20/h6-10,12,15,18,20-21H,5,11,13-14H2,1-4H3,(H,24,29)(H,25,30)/b12-10-/t15-,18-,20-,21-/m0/s1", + "name": "Nummularine F", + "names": [ + "Nummularine F" + ] + }, + { + "compound_id": "C10012", + "inchi": "InChI=1S/C31H44N4O5/c1-7-20(4)27(35(5)6)31(39)34-26-28(19(2)3)40-23-15-13-22(14-16-23)25(36)18-32-29(37)24(33-30(26)38)17-21-11-9-8-10-12-21/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)/t20?,24-,25?,26-,27-,28-/m0/s1", + "name": "Pandamine", + "names": [ + "Pandamine" + ] + }, + { + "compound_id": "C10013", + "inchi": "InChI=1S/C30H38N4O4/c1-5-6-12-24-30(37)34(19-33(24)4)26-27(22-10-8-7-9-11-22)38-23-15-13-21(14-16-23)17-18-31-28(35)25(20(2)3)32-29(26)36/h7-11,13-18,20,24-27H,5-6,12,19H2,1-4H3,(H,31,35)(H,32,36)/b18-17-/t24?,25-,26-,27+/m0/s1", + "name": "Sativanine B", + "names": [ + "Sativanine B" + ] + }, + { + "compound_id": "C10014", + "inchi": "InChI=1S/C38H45N5O5/c1-25(2)34-33(42-36(45)32-15-10-22-43(32)38(47)31(39-3)24-28-13-8-5-9-14-28)37(46)41-30(23-27-11-6-4-7-12-27)35(44)40-21-20-26-16-18-29(48-34)19-17-26/h4-9,11-14,16-21,25,30-34,39H,10,15,22-24H2,1-3H3,(H,40,44)(H,41,46)(H,42,45)/b21-20-/t30-,31-,32-,33-,34-/m0/s1", + "name": "Scutianine F", + "names": [ + "Scutianine F" + ] + }, + { + "compound_id": "C10015", + "inchi": "InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25-,27-,28-,29-/m0/s1", + "name": "Zizyphine A", + "names": [ + "Zizyphine A" + ] + }, + { + "compound_id": "C10016", + "inchi": "InChI=1S/C32H47N5O6/c1-7-19(3)26(34-30(40)27(35(5)6)20(4)8-2)31(41)37-17-14-25-28(37)32(42)36-16-9-10-23(36)29(39)33-15-13-21-11-12-22(43-25)18-24(21)38/h11-13,15,18-20,23,25-28,38H,7-10,14,16-17H2,1-6H3,(H,33,39)(H,34,40)/b15-13-/t19-,20-,23-,25-,26-,27-,28-/m0/s1", + "name": "Zizyphine F", + "names": [ + "Zizyphine F" + ] + }, + { + "compound_id": "C10017", + "inchi": "InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-12,31-34,37-38H", + "name": "Agathisflavone", + "names": [ + "6,8''-Biapigenin", + "Agathisflavone" + ] + }, + { + "compound_id": "C10018", + "inchi": "InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H", + "name": "Amentoflavone", + "names": [ + "3',8''-Biapigenin", + "Amentoflavone" + ] + }, + { + "compound_id": "C10019", + "inchi": "InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3", + "name": "Apigenin 7,4'-dimethyl ether", + "names": [ + "Apigenin 7,4'-dimethyl ether", + "Apigenin dimethylether" + ] + }, + { + "compound_id": "C10020", + "inchi": "InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23-,24-/m1/s1", + "name": "Apigenin 7-(6''-malonylglucoside)", + "names": [ + "Apigenin 7-(6''-malonylglucoside)", + "Apigenin 7-O-(6-malonyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C10021", + "inchi": "InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3", + "name": "Axillarin", + "names": [ + "Axillarin", + "Quercetagetin 3,6-dimethyl ether" + ] + }, + { + "compound_id": "C10022", + "inchi": "InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3", + "name": "Azaleatin", + "names": [ + "Azaleatin", + "Quercetin 5-methyl ether" + ] + }, + { + "compound_id": "C10023", + "inchi": "InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H", + "name": "Baicalein", + "names": [ + "5,6,7-Trihydroxyflavone", + "Baicalein" + ] + }, + { + "compound_id": "C10024", + "inchi": "InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3", + "name": "Baicalein 5,6,7-trimethyl ether", + "names": [ + "Baicalein 5,6,7-trimethyl ether" + ] + }, + { + "compound_id": "C10025", + "inchi": "InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1", + "name": "Baicalin", + "names": [ + "Baicalein 7-O-glucuronide", + "Baicalin" + ] + }, + { + "compound_id": "C10026", + "inchi": "InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1", + "name": "Carlinoside", + "names": [ + "Carlinoside" + ] + }, + { + "compound_id": "C10027", + "inchi": "InChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3", + "name": "Chlorflavonin", + "names": [ + "Chlorflavonin" + ] + }, + { + "compound_id": "C10028", + "inchi": "InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H", + "name": "Chrysin", + "names": [ + "5,7-Dihydroxyflavone", + "Chrysin" + ] + }, + { + "compound_id": "C10029", + "inchi": "InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3", + "name": "5,7-Dimethoxyflavone", + "names": [ + "5,7-Dimethoxyflavone", + "Chrysin 5,7-dimethyl ether" + ] + }, + { + "compound_id": "C10030", + "inchi": "InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3", + "name": "Chrysosplenetin", + "names": [ + "Chrysosplenetin", + "Chrysosplenetin B", + "Quercetagetin 3,6,7,3'-tetramethyl ether" + ] + }, + { + "compound_id": "C10031", + "inchi": "InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3", + "name": "Chrysosplenol C", + "names": [ + "Chrysosplenol C", + "Quercetagetin 3,7,3'-trimethyl ether" + ] + }, + { + "compound_id": "C10032", + "inchi": "InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3", + "name": "Cirsilineol", + "names": [ + "Cirsilineol" + ] + }, + { + "compound_id": "C10033", + "inchi": "InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3", + "name": "Cirsiliol", + "names": [ + "Cirsiliol" + ] + }, + { + "compound_id": "C10034", + "inchi": "InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H", + "name": "Cupressuflavone", + "names": [ + "8,8''-Biapigenin", + "Cupressuflavone" + ] + }, + { + "compound_id": "C10035", + "inchi": "InChI=1S/C18H16O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-9,20H,1-3H3", + "name": "Dasytrichone", + "names": [ + "Dasytrichone" + ] + }, + { + "compound_id": "C10036", + "inchi": "InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H", + "name": "Datiscetin", + "names": [ + "3,5,7,2'-Tetrahydroxyflavone", + "Datiscetin" + ] + }, + { + "compound_id": "C10037", + "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H", + "name": "3,7,4'-Trihydroxyflavone", + "names": [ + "3,7,4'-Trihydroxyflavone", + "5-Deoxykaempferol" + ] + }, + { + "compound_id": "C10038", + "inchi": "InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3", + "name": "Diosmetin", + "names": [ + "Diosmetin", + "Luteolin 4'-methyl ether" + ] + }, + { + "compound_id": "C10039", + "inchi": "InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1", + "name": "Diosmin", + "names": [ + "Diosmetin 7-O-rutinoside", + "Diosmin" + ] + }, + { + "compound_id": "C10040", + "inchi": "InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3", + "name": "Eupatilin", + "names": [ + "Eupatilin" + ] + }, + { + "compound_id": "C10041", + "inchi": "InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H", + "name": "Fisetin", + "names": [ + "7,3',4'-Trihydroxyflavonol", + "Fisetin" + ] + }, + { + "compound_id": "C10042", + "inchi": "InChI=1S/C21H20O11/c22-6-12-15(27)16(28)18(30)21(31-12)13-10(24)4-2-8-14(26)17(29)19(32-20(8)13)7-1-3-9(23)11(25)5-7/h1-5,12,15-16,18,21-25,27-30H,6H2/t12-,15-,16+,18-,21+/m1/s1", + "name": "Fisetin 8-C-glucoside", + "names": [ + "Fisetin 8-C-glucoside" + ] + }, + { + "compound_id": "C10043", + "inchi": "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H", + "name": "2-Phenyl-4-benzopyron", + "names": [ + "2-Phenyl-4-benzopyron", + "2-Phenyl-4-chromone", + "Flavone" + ] + }, + { + "compound_id": "C10044", + "inchi": "InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H", + "name": "Galangin", + "names": [ + "3,5,7-Trihydroxyflavone", + "Galangin" + ] + }, + { + "compound_id": "C10045", + "inchi": "InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3", + "name": "3,5,7-Trimethoxyflavone", + "names": [ + "3,5,7-Trimethoxyflavone", + "Chromen-4-one, 3,5,7-trimethoxy-2-phenyl-", + "Galangin 3,5,7-trimethyl ether" + ] + }, + { + "compound_id": "C10046", + "inchi": "InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", + "name": "Genkwanin", + "names": [ + "Apigenin 7-methyl ether", + "Genkwanin" + ] + }, + { + "compound_id": "C10047", + "inchi": "InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3", + "name": "Geraldone", + "names": [ + "5-Deoxychrysoeriol", + "Geraldone" + ] + }, + { + "compound_id": "C10048", + "inchi": "InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3", + "name": "Ginkgetin", + "names": [ + "Amentoflavone 7,4'-dimethyl ether", + "Ginkgetin" + ] + }, + { + "compound_id": "C10049", + "inchi": "InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3", + "name": "Glepidotin A", + "names": [ + "8-(3,3-DMA)galangin", + "8-(3,3-Dimethylallyl)galangin", + "8-Prenylgalangin", + "Glepidotin A" + ] + }, + { + "compound_id": "C10050", + "inchi": "InChI=1S/C21H20O12/c1-6-13(26)15(28)17(30)21(31-6)33-19-11(25)5-10(24)12-14(27)16(29)18(32-20(12)19)7-2-3-8(22)9(23)4-7/h2-6,13,15,17,21-26,28-30H,1H3/t6-,13-,15+,17+,21-/m0/s1", + "name": "Gossypetin 8-rhamnoside", + "names": [ + "Gossypetin 8-rhamnoside" + ] + }, + { + "compound_id": "C10051", + "inchi": "InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1", + "name": "Gossypin", + "names": [ + "Gossypetin 8-O-glucoside", + "Gossypin" + ] + }, + { + "compound_id": "C10052", + "inchi": "InChI=1S/C14H10O6/c1-19-6-2-10(17)13-12(3-6)20-11-5-9(16)8(15)4-7(11)14(13)18/h2-5,15-17H,1H3", + "name": "Athyriol", + "names": [ + "3-Methoxy-1,6,7-trihydroxyxanthone", + "Athyriol" + ] + }, + { + "compound_id": "C10053", + "inchi": "InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3", + "name": "Bellidifolin", + "names": [ + "3-Methoxy-1,5,8-trihydroxyxanthone", + "Bellidifolin" + ] + }, + { + "compound_id": "C10054", + "inchi": "InChI=1S/C18H16O4/c1-10(2)6-7-11-8-9-12-17(21)15-13(19)4-3-5-14(15)22-18(12)16(11)20/h3-6,8-9,19-20H,7H2,1-2H3", + "name": "Calophyllin B", + "names": [ + "6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthone", + "Calophyllin B" + ] + }, + { + "compound_id": "C10055", + "inchi": "InChI=1S/C18H14O4/c1-18(2)9-8-10-6-7-11-15(20)14-12(19)4-3-5-13(14)21-17(11)16(10)22-18/h3-9,19H,1-2H3", + "name": "Dehydrocycloguanandin", + "names": [ + "Dehydrocycloguanandin" + ] + }, + { + "compound_id": "C10056", + "inchi": "InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H", + "name": "Demethylbellidifolin", + "names": [ + "1,3,5,8-Tetrahydroxyxanthone", + "Demethylbellidifolin" + ] + }, + { + "compound_id": "C10057", + "inchi": "InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H", + "name": "Hinokiflavone", + "names": [ + "Hinokiflavone" + ] + }, + { + "compound_id": "C10058", + "inchi": "InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3", + "name": "Hispidulin", + "names": [ + "Dinatin", + "Hispidulin", + "Scutellarein 6-methyl ether" + ] + }, + { + "compound_id": "C10059", + "inchi": "InChI=1S/C18H14O5/c1-18(2)7-6-9-12(23-18)8-13-14(15(9)20)16(21)10-4-3-5-11(19)17(10)22-13/h3-8,19-20H,1-2H3", + "name": "6-Deoxyjacareubin", + "names": [ + "6-Deoxyjacareubin" + ] + }, + { + "compound_id": "C10060", + "inchi": "InChI=1S/C15H12O6/c1-19-7-5-10(17)12-11(6-7)21-14-8(13(12)18)3-4-9(16)15(14)20-2/h3-6,16-17H,1-2H3", + "name": "3,5-Dimethoxy-1,6-dihydroxyxanthone", + "names": [ + "3,5-Dimethoxy-1,6-dihydroxyxanthone" + ] + }, + { + "compound_id": "C10061", + "inchi": "InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H", + "name": "Euxanthone", + "names": [ + "1,7-Dihydroxyxanthone", + "Euxanthone" + ] + }, + { + "compound_id": "C10062", + "inchi": "InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27?,36-,37-,38-/m1/s1", + "name": "Gambogic acid", + "names": [ + "Gambogic acid" + ] + }, + { + "compound_id": "C10063", + "inchi": "InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3", + "name": "Gartanin", + "names": [ + "1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone", + "Gartanin" + ] + }, + { + "compound_id": "C10064", + "inchi": "InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3", + "name": "Gentiacaulein", + "names": [ + "2,8-Dihydroxy-1,6-dimethoxyxanthone", + "Gentiacaulein" + ] + }, + { + "compound_id": "C10065", + "inchi": "InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H", + "name": "Gentisein", + "names": [ + "1,3,7-Trihydroxyxanthone", + "Gentisein" + ] + }, + { + "compound_id": "C10066", + "inchi": "InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3", + "name": "Gentisin", + "names": [ + "1,7-Dihydroxy-3-methoxyxanthone", + "Gentisin" + ] + }, + { + "compound_id": "C10067", + "inchi": "InChI=1S/C20H20O11/c1-29-19-7(22)3-2-6-13(24)12-9(30-18(6)19)4-8(23)11(15(12)26)20-17(28)16(27)14(25)10(5-21)31-20/h2-4,10,14,16-17,20-23,25-28H,5H2,1H3/t10-,14-,16+,17-,20+/m1/s1", + "name": "Irisxanthone", + "names": [ + "Irisxanthone" + ] + }, + { + "compound_id": "C10068", + "inchi": "InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)15-14(21)13(20)10-9(22-15)5-8(17)11(18)12(10)19/h1-5,16-19,21H", + "name": "6-Hydroxykaempferol", + "names": [ + "6-Hydroxykaempferol" + ] + }, + { + "compound_id": "C10069", + "inchi": "InChI=1S/C14H10O6/c1-19-11-5-10-7(4-8(11)16)14(18)13-9(17)2-6(15)3-12(13)20-10/h2-5,15-17H,1H3", + "name": "Isoathyriol", + "names": [ + "6-Methoxy-1,3,7-trihydroxyxanthone", + "Isoathyriol" + ] + }, + { + "compound_id": "C10070", + "inchi": "InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3", + "name": "Isogentisin", + "names": [ + "1,3-Dihydroxy--7-methoxyxanthone", + "Isogentisin" + ] + }, + { + "compound_id": "C10071", + "inchi": "InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(11-16(26)22(14)28-5)29-18-10-15(25)13-8-9-24(3,4)30-23(13)20(18)21(19)27/h6,10-11,25-26H,7-9H2,1-5H3", + "name": "1-Isomangostin", + "names": [ + "1-Isomangostin" + ] + }, + { + "compound_id": "C10072", + "inchi": "InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H", + "name": "6-Hydroxyluteolin", + "names": [ + "5,6,7,3',4'-Pentahydroxyflavone", + "6-Hydroxyluteolin" + ] + }, + { + "compound_id": "C10073", + "inchi": "InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1", + "name": "Hyperin", + "names": [ + "Hyperin", + "Quercetin 3-galactoside" + ] + }, + { + "compound_id": "C10074", + "inchi": "InChI=1S/C18H14O6/c1-18(2)6-5-8-11(24-18)7-12-13(14(8)20)15(21)9-3-4-10(19)16(22)17(9)23-12/h3-7,19-20,22H,1-2H3", + "name": "Jacareubin", + "names": [ + "Jacareubin" + ] + }, + { + "compound_id": "C10075", + "inchi": "InChI=1S/C19H18O10/c20-5-11-15(25)16(26)17(27)19(29-11)13-9(23)4-8(22)12-14(24)7-3-6(21)1-2-10(7)28-18(12)13/h1-4,11,15-17,19-23,25-27H,5H2/t11-,15-,16+,17-,19+/m1/s1", + "name": "Lancerin", + "names": [ + "4-C-Glucosyl-1,3,7-trihydroxyxanthone", + "Lancerin" + ] + }, + { + "compound_id": "C10076", + "inchi": "InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3", + "name": "Macluraxanthone", + "names": [ + "3-Hydroxyblancoxanthone", + "Macluraxanthone" + ] + }, + { + "compound_id": "C10077", + "inchi": "InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1", + "name": "Mangiferin", + "names": [ + "Chinomin", + "Mangiferin" + ] + }, + { + "compound_id": "C10078", + "inchi": "InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H", + "name": "Hypolaetin", + "names": [ + "8-Hydroxyluteolin", + "Hypolaetin" + ] + }, + { + "compound_id": "C10079", + "inchi": "InChI=1S/C15H10O7/c16-6-1-11(20)15-12(21)5-13(22-14(15)2-6)7-3-9(18)10(19)4-8(7)17/h1-5,16-20H", + "name": "Isoetin", + "names": [ + "5,7,2',4',5'-Pentahydroxyflavone", + "Isoetin" + ] + }, + { + "compound_id": "C10080", + "inchi": "InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3", + "name": "Mangostin", + "names": [ + "Mangostin" + ] + }, + { + "compound_id": "C10081", + "inchi": "InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3", + "name": "Mesuaxanthone A", + "names": [ + "1,5-Dihydroxy-3-methoxyxanthone", + "Mesuaxanthone A" + ] + }, + { + "compound_id": "C10082", + "inchi": "InChI=1S/C13H8O5/c14-7-2-1-3-9-10(7)11(16)6-4-5-8(15)12(17)13(6)18-9/h1-5,14-15,17H", + "name": "Mesuaxanthone B", + "names": [ + "1,5,6-Trihydroxyxanthone", + "Mesuaxanthone B" + ] + }, + { + "compound_id": "C10083", + "inchi": "InChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3", + "name": "2-O-Methylswertianin", + "names": [ + "1,8-Dihydroxy-2,6-dimethoxyxanthone", + "2-O-Methylswertianin" + ] + }, + { + "compound_id": "C10084", + "inchi": "InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3", + "name": "Isorhamnetin", + "names": [ + "3-Methylquercetin", + "Isorhamnetin", + "Quercetin 3'-methyl ether" + ] + }, + { + "compound_id": "C10085", + "inchi": "InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-/t19-,23?,32-,33-/m1/s1", + "name": "Morellin", + "names": [ + "Morellin" + ] + }, + { + "compound_id": "C10086", + "inchi": "InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H", + "name": "Norathyriol", + "names": [ + "1,3,6,7-Tetrahydroxyxanthone", + "Norathyriol" + ] + }, + { + "compound_id": "C10087", + "inchi": "InChI=1S/C14H10O5/c1-6-2-7(15)4-10-12(6)14(18)13-9(17)3-8(16)5-11(13)19-10/h2-5,15-17H,1H3", + "name": "Norlichexanthone", + "names": [ + "1,3,6-Trihydroxy-8-methyl-9H-xanthen-9-one", + "Norlichexanthone" + ] + }, + { + "compound_id": "C10088", + "inchi": "InChI=1S/C13H8O6/c14-5-3-7(16)10-9(4-5)19-8-2-1-6(15)12(17)11(8)13(10)18/h1-4,14-17H", + "name": "Norswertianin", + "names": [ + "1,2,6,8-Tetrahydroxyxanthone", + "Norswertianin" + ] + }, + { + "compound_id": "C10089", + "inchi": "InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-9-2-1-7(22)18-13(9)15(25)12-8(23)3-6(21)4-10(12)28-18/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1", + "name": "Norswertianolin", + "names": [ + "Norswertianolin" + ] + }, + { + "compound_id": "C10090", + "inchi": "InChI=1S/C19H16O6/c1-19(8-23-19)14-6-10-12(24-14)7-13(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(10)15/h3-5,7,14,20H,6,8H2,1-2H3/t14-,19-/m1/s1", + "name": "Psorospermin", + "names": [ + "Psorospermin" + ] + }, + { + "compound_id": "C10091", + "inchi": "InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-15-10(20-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3", + "name": "Swerchirin", + "names": [ + "3,5-Dimethoxy-1,8-dihydroxyxanthone", + "5-O-Methylbellidifolin", + "Swerchirin" + ] + }, + { + "compound_id": "C10092", + "inchi": "InChI=1S/C14H10O6/c1-19-6-4-8(16)11-10(5-6)20-9-3-2-7(15)13(17)12(9)14(11)18/h2-5,15-17H,1H3", + "name": "Swertianin", + "names": [ + "1,2,8-Trihydroxy-6-methoxyxanthone", + "Swertianin" + ] + }, + { + "compound_id": "C10093", + "inchi": "InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1", + "name": "Swertianolin", + "names": [ + "Bellidifolin-8-O-glucoside", + "Swertianolin" + ] + }, + { + "compound_id": "C10094", + "inchi": "InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H", + "name": "1,3,5-Trihydroxyxanthone", + "names": [ + "1,3,5-Trihydroxyxanthone" + ] + }, + { + "compound_id": "C10095", + "inchi": "InChI=1S/C19H18O11/c20-5-13-16(25)17(26)18(27)19(30-13)29-11-4-10-7(3-8(11)22)15(24)14-9(23)1-6(21)2-12(14)28-10/h1-4,13,16-23,25-27H,5H2/t13-,16-,17+,18-,19-/m1/s1", + "name": "Tripteroside", + "names": [ + "Norathyriol-6-O-beta-D-glucoside", + "Tripteroside" + ] + }, + { + "compound_id": "C10097", + "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H", + "name": "Isoscutellarein", + "names": [ + "8-Hydroxyapigenin", + "Isoscutellarein" + ] + }, + { + "compound_id": "C10098", + "inchi": "InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3", + "name": "Kaempferide", + "names": [ + "Kaempferide", + "Kaempferol 4'-methyl ether", + "Kempferide" + ] + }, + { + "compound_id": "C10099", + "inchi": "InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m0/s1", + "name": "Kuwanone G", + "names": [ + "Kuwanone G" + ] + }, + { + "compound_id": "C10100", + "inchi": "InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1", + "name": "Kuwanone H", + "names": [ + "Kuwanone H" + ] + }, + { + "compound_id": "C10101", + "inchi": "InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1", + "name": "(-)-Usnic acid", + "names": [ + "(-)-Usnic acid", + "(S)-Usnate", + "(S)-Usnic acid" + ] + }, + { + "compound_id": "C10102", + "inchi": "InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1", + "name": "Lucenin-2", + "names": [ + "Lucenin-2", + "Luteolin 6,8-di-C-glucoside" + ] + }, + { + "compound_id": "C10103", + "inchi": "InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1", + "name": "Luteolin 7-O-(6''-malonylglucoside)", + "names": [ + "Luteolin 7-O-(6''-malonylglucoside)" + ] + }, + { + "compound_id": "C10104", + "inchi": "InChI=1S/C22H22O11/c1-8-17(26)19(28)20(29)22(31-8)33-15-7-14-16(18(27)21(15)30-2)12(25)6-13(32-14)9-3-4-10(23)11(24)5-9/h3-8,17,19-20,22-24,26-29H,1-2H3/t8-,17-,19+,20+,22-/m0/s1", + "name": "6-Methoxyluteolin 7-rhamnoside", + "names": [ + "6-Methoxyluteolin 7-rhamnoside" + ] + }, + { + "compound_id": "C10105", + "inchi": "InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H", + "name": "Morin", + "names": [ + "3,5,7,2',4'-Pentahydroxyflavone", + "C.I.Natural Yellow 8", + "Morin" + ] + }, + { + "compound_id": "C10106", + "inchi": "InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3", + "name": "Morusin", + "names": [ + "Morusin" + ] + }, + { + "compound_id": "C10107", + "inchi": "InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H", + "name": "Myricetin", + "names": [ + "3,5,7,3',4',5'-Hexahydroxyflavone", + "Myricetin" + ] + }, + { + "compound_id": "C10108", + "inchi": "InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1", + "name": "Myricitrin", + "names": [ + "Myricetin 3-O-rhamnoside", + "Myricitrin" + ] + }, + { + "compound_id": "C10109", + "inchi": "InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1", + "name": "Neocarlinoside", + "names": [ + "Neocarlinoside" + ] + }, + { + "compound_id": "C10110", + "inchi": "InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1", + "name": "Neoschaftoside", + "names": [ + "Neoschaftoside" + ] + }, + { + "compound_id": "C10111", + "inchi": "InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3", + "name": "Nevadensin", + "names": [ + "Nevadensin" + ] + }, + { + "compound_id": "C10112", + "inchi": "InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3", + "name": "Nobiletin", + "names": [ + "5,6,7,8,3',4'-Hexamethoxyflavone", + "Hexamethoxyflavone", + "Nobiletin" + ] + }, + { + "compound_id": "C10113", + "inchi": "InChI=1S/C15H10O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-7,16,18-19H", + "name": "Norwogonin", + "names": [ + "5,7,8-Trihydroxyflavone", + "Norwogonin" + ] + }, + { + "compound_id": "C10114", + "inchi": "InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1", + "name": "Orientin", + "names": [ + "Luteolin 8-C-glucoside", + "Orientin" + ] + }, + { + "compound_id": "C10115", + "inchi": "InChI=1S/C18H16O8/c1-23-8-4-12(21)15-14(5-8)26-17(18(25-3)16(15)22)9-6-11(20)13(24-2)7-10(9)19/h4-7,19-21H,1-3H3", + "name": "Oxyanin A", + "names": [ + "Oxyanin A", + "Oxyayanin A" + ] + }, + { + "compound_id": "C10116", + "inchi": "InChI=1S/C18H16O8/c1-23-10-5-4-8(6-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3", + "name": "Oxyanin B", + "names": [ + "Oxyanin B", + "Oxyayanin B" + ] + }, + { + "compound_id": "C10117", + "inchi": "InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3", + "name": "Pachypodol", + "names": [ + "Pachypodol", + "Quercetin 3,7,3'-trimethyl ether" + ] + }, + { + "compound_id": "C10118", + "inchi": "InChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3", + "name": "Patuletin", + "names": [ + "Patuletin", + "Quercetagetin 6-methyl ether" + ] + }, + { + "compound_id": "C10119", + "inchi": "InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3", + "name": "Pedalitin", + "names": [ + "3',4',5,6-Tetrahydroxy-7-methoxyflavone", + "Pedalitin" + ] + }, + { + "compound_id": "C10120", + "inchi": "InChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,17-20,22H,1H3", + "name": "Pinoquercetin", + "names": [ + "6-C-Methylquercetin", + "Pinoquercetin" + ] + }, + { + "compound_id": "C10121", + "inchi": "InChI=1S/C15H10O4/c16-10-6-7-11(17)15-14(10)12(18)8-13(19-15)9-4-2-1-3-5-9/h1-8,16-17H", + "name": "Primetin", + "names": [ + "5,8-Dihydroxyflavone", + "Primetin" + ] + }, + { + "compound_id": "C10122", + "inchi": "InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H", + "name": "Quercetagetin", + "names": [ + "6-Hydroxyquercetin", + "Quercetagetin" + ] + }, + { + "compound_id": "C10123", + "inchi": "InChI=1S/C19H24N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,15,18,20H,4-6,9-10,13-14H2/b12-11+/t18-/m0/s1", + "name": "Adenocarpine", + "names": [ + "Adenocarpine" + ] + }, + { + "compound_id": "C10124", + "inchi": "InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6+,7-,8-/m1/s1", + "name": "Alexine", + "names": [ + "Alexine" + ] + }, + { + "compound_id": "C10125", + "inchi": "InChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3/t12-/m1/s1", + "name": "Ammodendrine", + "names": [ + "Ammodendrine", + "Spherocarpine" + ] + }, + { + "compound_id": "C10126", + "inchi": "InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1", + "name": "Anatabine", + "names": [ + "(-)-Anatabine", + "Anatabine" + ] + }, + { + "compound_id": "C10127", + "inchi": "InChI=1S/C11H9NO3/c1-14-9-5-10(15-11(13)6-9)8-3-2-4-12-7-8/h2-7H,1H3", + "name": "Anibine", + "names": [ + "Anibine" + ] + }, + { + "compound_id": "C10128", + "inchi": "InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)", + "name": "Arecaidine", + "names": [ + "Arecaidine" + ] + }, + { + "compound_id": "C10129", + "inchi": "InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3", + "name": "Arecoline", + "names": [ + "Arecoline" + ] + }, + { + "compound_id": "C10130", + "inchi": "InChI=1S/C20H26N2O/c1-21-13-5-4-8-18(21)16-9-11-19-17-7-3-2-6-15(17)10-12-20(23)22(19)14-16/h2-3,6-7,10,12,16,18-19H,4-5,8-9,11,13-14H2,1H3/t16-,18+,19+/m0/s1", + "name": "Astrocasine", + "names": [ + "Astrocasine" + ] + }, + { + "compound_id": "C10131", + "inchi": "InChI=1S/C19H26N2O/c22-19(12-11-16-7-2-1-3-8-16)21-14-6-9-17(15-21)18-10-4-5-13-20-18/h1-3,7-8,11-12,17-18,20H,4-6,9-10,13-15H2/b12-11-/t17-,18+/m1/s1", + "name": "Astrophylline", + "names": [ + "Astrophylline" + ] + }, + { + "compound_id": "C10132", + "inchi": "InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1", + "name": "Australine", + "names": [ + "Australine" + ] + }, + { + "compound_id": "C10133", + "inchi": "InChI=1S/C5H7N3/c6-5(7)4-1-2-8-3-4/h1-3,8H,(H3,6,7)", + "name": "Brunfelsamidine", + "names": [ + "Brunfelsamidine" + ] + }, + { + "compound_id": "C10134", + "inchi": "InChI=1S/C12H15NO7/c14-8-7(20-12(18)10(16)9(8)15)5-19-11(17)6-2-1-3-13-4-6/h1-4,7-10,12,14-16,18H,5H2/t7-,8-,9+,10-,12+/m1/s1", + "name": "Buchananine", + "names": [ + "Buchananine" + ] + }, + { + "compound_id": "C10135", + "inchi": "InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1", + "name": "Carpaine", + "names": [ + "Carpaine" + ] + }, + { + "compound_id": "C10136", + "inchi": "InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1", + "name": "Cassine", + "names": [ + "Cassine" + ] + }, + { + "compound_id": "C10137", + "inchi": "InChI=1S/C14H21NO4/c1-8-13(16)14(17)12(15(8)2)9-5-6-10(18-3)11(7-9)19-4/h5-8,12-14,16-17H,1-4H3/t8-,12-,13-,14-/m1/s1", + "name": "Codonopsine", + "names": [ + "Codonopsine" + ] + }, + { + "compound_id": "C10138", + "inchi": "InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3", + "name": "gamma-Coniceine", + "names": [ + "gamma-Coniceine" + ] + }, + { + "compound_id": "C10139", + "inchi": "InChI=1S/C17H27NO/c1-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15(2)18(16)3/h5-12,15-17,19H,4,13-14H2,1-3H3/b6-5+,8-7+,10-9+,12-11+/t15-,16+,17-/m0/s1", + "name": "Cryptophorine", + "names": [ + "Cryptophorine" + ] + }, + { + "compound_id": "C10140", + "inchi": "InChI=1S/C5H10N2O2/c6-5(4(8)9)1-2-7-3-5/h7H,1-3,6H2,(H,8,9)/t5-/m1/s1", + "name": "Cucurbitine", + "names": [ + "Cucurbitine" + ] + }, + { + "compound_id": "C10141", + "inchi": "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1", + "name": "Deoxymannojirimycin", + "names": [ + "DMJ", + "Deoxymannojirimycin" + ] + }, + { + "compound_id": "C10142", + "inchi": "InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1", + "name": "Dioscorine", + "names": [ + "Dioscorine" + ] + }, + { + "compound_id": "C10143", + "inchi": "InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1", + "name": "DMDP", + "names": [ + "2,5-Dihydroxymethyl-3,4-dihydroxypyrrolidine", + "DMDP" + ] + }, + { + "compound_id": "C10144", + "inchi": "InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1", + "name": "Fagomine", + "names": [ + "Fagomine" + ] + }, + { + "compound_id": "C10145", + "inchi": "InChI=1S/C18H24N2O5/c1-9-11(3)24-17(22)15(9)19-7-13-5-6-14(8-21)20(13)16-10(2)12(4)25-18(16)23/h5-7,9-12,15-16,21H,8H2,1-4H3/b19-7+/t9-,10?,11-,12-,15+,16-/m1/s1", + "name": "Funebrine", + "names": [ + "Funebrine" + ] + }, + { + "compound_id": "C10146", + "inchi": "InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)", + "name": "Fusaric acid", + "names": [ + "Fusaric acid" + ] + }, + { + "compound_id": "C10147", + "inchi": "InChI=1S/C11H19NO2S4/c1-12-6(10-8(13)4-15-17-10)2-3-7(12)11-9(14)5-16-18-11/h6-11,13-14H,2-5H2,1H3/t6-,7-,8+,9+,10+,11+/m1/s1", + "name": "Gerrardine", + "names": [ + "Gerrardine" + ] + }, + { + "compound_id": "C10148", + "inchi": "InChI=1S/C13H16N2O/c14-10-13(15-8-2-1-3-9-15)11-4-6-12(16)7-5-11/h4-7,13,16H,1-3,8-9H2", + "name": "Girgensonine", + "names": [ + "Girgensonine" + ] + }, + { + "compound_id": "C10149", + "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)", + "name": "Guvacine", + "names": [ + "Guvacine" + ] + }, + { + "compound_id": "C10150", + "inchi": "InChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/b6-5+/t8-/m1/s1", + "name": "Harzianopyridone", + "names": [ + "Harzianopyridone" + ] + }, + { + "compound_id": "C10151", + "inchi": "InChI=1S/C7H13NO3/c1-8(2)4-3-5(9)6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m0/s1", + "name": "3-Hydroxystachydrine", + "names": [ + "3-Hydroxystachydrine" + ] + }, + { + "compound_id": "C10152", + "inchi": "InChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1", + "name": "(-)-Hygroline", + "names": [ + "(-)-Hygroline" + ] + }, + { + "compound_id": "C10153", + "inchi": "InChI=1S/C18H25NO2/c1-3-17(20)12-15-10-7-11-16(19(15)2)13-18(21)14-8-5-4-6-9-14/h4-10,15-17,20H,3,11-13H2,1-2H3/t15-,16+,17?/m1/s1", + "name": "Isolobinine", + "names": [ + "Isolobinine" + ] + }, + { + "compound_id": "C10154", + "inchi": "InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3/t32-,33-,35?,36+,37+,38?,39-,40-/m0/s1", + "name": "Juliflorine", + "names": [ + "Juliflorine" + ] + }, + { + "compound_id": "C10155", + "inchi": "InChI=1S/C8H15NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h6-8,10-11H,1-5H2/t6-,7-,8-/m0/s1", + "name": "Lentiginosine", + "names": [ + "Lentiginosine" + ] + }, + { + "compound_id": "C10156", + "inchi": "InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+", + "name": "Lobelanidine", + "names": [ + "Lobelanidine" + ] + }, + { + "compound_id": "C10157", + "inchi": "InChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+", + "name": "Lobelanine", + "names": [ + "Lobelanine" + ] + }, + { + "compound_id": "C10158", + "inchi": "InChI=1S/C9H13NO/c1-5-3-7-4-8(11)9(5)6(2)10-7/h5,7,9H,3-4H2,1-2H3", + "name": "Mearsine", + "names": [ + "Mearsine" + ] + }, + { + "compound_id": "C10159", + "inchi": "InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/t9-/m0/s1", + "name": "(+)-N-Methylconiine", + "names": [ + "(+)-N-Methylconiine" + ] + }, + { + "compound_id": "C10160", + "inchi": "InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2", + "name": "Myosmine", + "names": [ + "Myosmine" + ] + }, + { + "compound_id": "C10161", + "inchi": "InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3", + "name": "Nicotyrine", + "names": [ + "Nicotyrine", + "beta-Nicotyrine" + ] + }, + { + "compound_id": "C10162", + "inchi": "InChI=1S/C12H17N/c1-2-3-4-5-6-9-12-10-7-8-11-13-12/h2-6,9H,7-8,10-11H2,1H3/b3-2+,5-4+,9-6+", + "name": "Nigrifactin", + "names": [ + "Nigrifactin" + ] + }, + { + "compound_id": "C10163", + "inchi": "InChI=1S/C10H19NO/c12-9-4-1-2-5-10(9)6-3-7-11-8-10/h9,11-12H,1-8H2/t9-,10+/m1/s1", + "name": "Nitramine", + "names": [ + "Nitramine" + ] + }, + { + "compound_id": "C10164", + "inchi": "InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)", + "name": "Picolinic acid", + "names": [ + "2-Pyridinecarboxylic acid", + "Picolinic acid" + ] + }, + { + "compound_id": "C10165", + "inchi": "InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9+/m1/s1", + "name": "Pinidine", + "names": [ + "(-)-Pinidine", + "Pinidine", + "Piperidine, 2-methyl-6-(1-propenyl)-, (2R-(2alpha,6alpha(E)))-" + ] + }, + { + "compound_id": "C10166", + "inchi": "InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+", + "name": "Piplartine", + "names": [ + "Piperlongumine", + "Piplartine" + ] + }, + { + "compound_id": "C10167", + "inchi": "InChI=1S/C18H35NO3/c1-2-16(21)11-9-7-5-3-4-6-8-10-15-12-13-18(22)17(14-20)19-15/h15,17-20,22H,2-14H2,1H3/t15-,17-,18+/m1/s1", + "name": "(+)-Prosopinine", + "names": [ + "(+)-Prosopinine" + ] + }, + { + "compound_id": "C10168", + "inchi": "InChI=1S/C8H17NO/c1-2-3-7-4-5-8(10)6-9-7/h7-10H,2-6H2,1H3/t7-,8-/m0/s1", + "name": "Pseudoconhydrine", + "names": [ + "Pseudoconhydrine" + ] + }, + { + "compound_id": "C10169", + "inchi": "InChI=1S/C14H19NO3/c1-17-13-6-5-10(8-14(13)18-2)12(16)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3", + "name": "Ruspolinone", + "names": [ + "Ruspolinone" + ] + }, + { + "compound_id": "C10170", + "inchi": "InChI=1S/C38H48N4O2/c43-37(41-23-11-17-29(25-41)31-19-7-9-21-39-31)35-33(27-13-3-1-4-14-27)36(34(35)28-15-5-2-6-16-28)38(44)42-24-12-18-30(26-42)32-20-8-10-22-40-32/h1-6,13-16,25-26,31-36,39-40H,7-12,17-24H2/t31-,32-,33-,34-,35-,36-/m1/s1", + "name": "Santiaguine", + "names": [ + "Santiaguine" + ] + }, + { + "compound_id": "C10171", + "inchi": "InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1", + "name": "(-)-Sedamine", + "names": [ + "(-)-Sedamine" + ] + }, + { + "compound_id": "C10172", + "inchi": "InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1", + "name": "Stachydrine", + "names": [ + "Proline betaine", + "Stachydrine" + ] + }, + { + "compound_id": "C10173", + "inchi": "InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1", + "name": "Swainsonine", + "names": [ + "Swainsonine" + ] + }, + { + "compound_id": "C10174", + "inchi": "InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+", + "name": "Piperyline", + "names": [ + "Piperyline", + "Trichostachine" + ] + }, + { + "compound_id": "C10175", + "inchi": "InChI=1S/C32H38O20/c1-9-19(38)23(42)26(45)30(48-9)47-8-17-21(40)24(43)29(52-31-25(44)20(39)15(37)7-46-31)32(50-17)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29?,30+,31?,32-/m0/s1", + "name": "Quercetin 3-(2G-xylosylrutinoside)", + "names": [ + "Quercetin 3-(2G-xylosylrutinoside)" + ] + }, + { + "compound_id": "C10176", + "inchi": "InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3", + "name": "Rhamnetin", + "names": [ + "Quercetin 7-methyl ether", + "Rhamnetin" + ] + }, + { + "compound_id": "C10177", + "inchi": "InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H", + "name": "Robinetin", + "names": [ + "5-Deoxymyricetin", + "Robinetin" + ] + }, + { + "compound_id": "C10178", + "inchi": "InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1", + "name": "Robinin", + "names": [ + "Robinin" + ] + }, + { + "compound_id": "C10179", + "inchi": "InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H", + "name": "Robustaflavone", + "names": [ + "3',6''-Biapigenin", + "Robustaflavone" + ] + }, + { + "compound_id": "C10180", + "inchi": "InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3", + "name": "Santin", + "names": [ + "Santin" + ] + }, + { + "compound_id": "C10181", + "inchi": "InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1", + "name": "Schaftoside", + "names": [ + "Schaftoside" + ] + }, + { + "compound_id": "C10182", + "inchi": "InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3", + "name": "Sciadopitysin", + "names": [ + "Sciadopitysin" + ] + }, + { + "compound_id": "C10183", + "inchi": "InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3", + "name": "Scullcapflavone II", + "names": [ + "Scullcapflavone II" + ] + }, + { + "compound_id": "C10184", + "inchi": "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H", + "name": "Scutellarein", + "names": [ + "6-Hydroxyapigenin", + "Isocarthamidin", + "Scutellarein" + ] + }, + { + "compound_id": "C10185", + "inchi": "InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3", + "name": "Sexangularetin", + "names": [ + "Herbacetin 8-methyl ether", + "Sexangularetin" + ] + }, + { + "compound_id": "C10186", + "inchi": "InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3", + "name": "Sinensetin", + "names": [ + "5,6,7,3',4'-Pentamethoxyflavone", + "Sinensetin" + ] + }, + { + "compound_id": "C10187", + "inchi": "InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1", + "name": "Swertiajaponin", + "names": [ + "Swertiajaponin" + ] + }, + { + "compound_id": "C10188", + "inchi": "InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3", + "name": "Tamarixetin", + "names": [ + "Quercetin 4'-methyl ether", + "Tamarixetin" + ] + }, + { + "compound_id": "C10189", + "inchi": "InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-15(21)14(20)13-11(19)8-12(23-2)17(24-3)18(13)25-16/h4-8,19,21H,1-3H3", + "name": "Tambulin", + "names": [ + "Herbacetin 7,8,4'-trimethyl ether", + "Tambulin" + ] + }, + { + "compound_id": "C10190", + "inchi": "InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3", + "name": "Tangeretin", + "names": [ + "5,6,7,8,4'-Pentamethoxyflavone", + "Tangeretin" + ] + }, + { + "compound_id": "C10191", + "inchi": "InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3", + "name": "Thymonin", + "names": [ + "Thymonin" + ] + }, + { + "compound_id": "C10192", + "inchi": "InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H", + "name": "Tricetin", + "names": [ + "5,7,3',4',5'-Pentahydroxyflavone", + "Tricetin" + ] + }, + { + "compound_id": "C10193", + "inchi": "InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3", + "name": "Tricin", + "names": [ + "3',5'-O-Dimethyltricetin", + "Tricetin 3',5'-di-methyl ether", + "Tricin" + ] + }, + { + "compound_id": "C10194", + "inchi": "InChI=1S/C20H16O7/c1-8(2)13-6-10-14(26-13)7-15-16(17(10)23)18(24)19(25)20(27-15)9-3-4-11(21)12(22)5-9/h3-5,7,13,21-23,25H,1,6H2,2H3", + "name": "Velloquercetin", + "names": [ + "Velloquercetin" + ] + }, + { + "compound_id": "C10195", + "inchi": "InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1", + "name": "Vicenin-2", + "names": [ + "5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside", + "Apigenin-6,8-di-C-glycoside", + "Vicenin-2" + ] + }, + { + "compound_id": "C10196", + "inchi": "InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)27(39-8)16-20(34)15(26-24(38)22(36)18(32)13(7-28)41-26)19(33)14-11(30)6-12(40-25(14)16)9-2-4-10(29)5-3-9/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1", + "name": "Violanthin", + "names": [ + "Violanthin" + ] + }, + { + "compound_id": "C10197", + "inchi": "InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3", + "name": "Wogonin", + "names": [ + "Norwogonin 8-methyl ether", + "Wogonin" + ] + }, + { + "compound_id": "C10198", + "inchi": "InChI=1S/C17H12O7/c18-17-5-19-14-8(1-2-10-15(14)23-7-20-10)16(17)24-11-4-13-12(3-9(11)17)21-6-22-13/h1-4,16,18H,5-7H2/t16-,17+/m0/s1", + "name": "(-)-Acanthocarpan", + "names": [ + "(-)-Acanthocarpan" + ] + }, + { + "compound_id": "C10199", + "inchi": "InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3", + "name": "Afrormosin", + "names": [ + "Afrormosin" + ] + }, + { + "compound_id": "C10200", + "inchi": "InChI=1S/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2", + "name": "Anhydroglycinol", + "names": [ + "3,9-Dihydroxypterocarpen", + "Anhydroglycinol" + ] + }, + { + "compound_id": "C10201", + "inchi": "InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3", + "name": "Betavulgarin", + "names": [ + "Betavulgarin" + ] + }, + { + "compound_id": "C10202", + "inchi": "InChI=1S/C16H10O6/c1-21-15-6-12(18)10(5-13(15)19)11-7-22-14-4-8(17)2-3-9(14)16(11)20/h2-7,17H,1H3", + "name": "Bowdichione", + "names": [ + "Bowdichione" + ] + }, + { + "compound_id": "C10203", + "inchi": "InChI=1S/C16H12O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-7,17-19H,1H3", + "name": "Cajanin", + "names": [ + "Cajanin" + ] + }, + { + "compound_id": "C10204", + "inchi": "InChI=1S/C17H16O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-7,12,18-19H,8H2,1-2H3", + "name": "Cajanol", + "names": [ + "Cajanol" + ] + }, + { + "compound_id": "C10205", + "inchi": "InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H", + "name": "Coumestrol", + "names": [ + "Coumestrol" + ] + }, + { + "compound_id": "C10206", + "inchi": "InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1", + "name": "Cristacarpin", + "names": [ + "Cristacarpin" + ] + }, + { + "compound_id": "C10207", + "inchi": "InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3", + "name": "Cyclokievitone", + "names": [ + "Cyclokievitone" + ] + }, + { + "compound_id": "C10208", + "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H", + "name": "Daidzein", + "names": [ + "Daidzein" + ] + }, + { + "compound_id": "C10209", + "inchi": "InChI=1S/C30H26O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-24-20(35)9-17(33)10-23(24)39-29(27(26)38)14-3-7-16(32)8-4-14/h1-10,12,22,26-29,31-38H,11H2/t22-,26-,27-,28+,29+/m0/s1", + "name": "Afzelechin-(4alpha->8)-afzelechin", + "names": [ + "Afzelechin-(4alpha->8)-afzelechin" + ] + }, + { + "compound_id": "C10210", + "inchi": "InChI=1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2/t35-,36-,65-,66-,67+,68+,69-,70-,81-,82-/m1/s1", + "name": "Agrimoniin", + "names": [ + "Agrimoniin" + ] + }, + { + "compound_id": "C10211", + "inchi": "InChI=1S/C41H26O26/c42-12-1-7-18(26(51)22(12)47)19-8(2-13(43)23(48)27(19)52)39(58)67-35-34(66-38(7)57)32-17(62-41(35)60)6-61-36(55)11-5-14(44)24(49)29(54)30(11)63-31-16(46)4-9-20(28(31)53)21-10(40(59)64-32)3-15(45)25(50)33(21)65-37(9)56/h1-5,17,32,34-35,41-54,60H,6H2/t17-,32-,34+,35-,41?/m1/s1", + "name": "Alnusiin", + "names": [ + "Alnusiin" + ] + }, + { + "compound_id": "C10212", + "inchi": "InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1", + "name": "Casuarictin", + "names": [ + "Casuarictin" + ] + }, + { + "compound_id": "C10213", + "inchi": "InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35+,36+/m1/s1", + "name": "Casuarinin", + "names": [ + "Casuarinin" + ] + }, + { + "compound_id": "C10214", + "inchi": "InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1", + "name": "Chebulagic acid", + "names": [ + "Chebulagic acid" + ] + }, + { + "compound_id": "C10215", + "inchi": "InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1", + "name": "Chebulinic acid", + "names": [ + "Chebulinic acid" + ] + }, + { + "compound_id": "C10216", + "inchi": "InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1", + "name": "Daidzin", + "names": [ + "Daidzein 7-O-glucoside", + "Daidzin" + ] + }, + { + "compound_id": "C10217", + "inchi": "InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1", + "name": "Cinchonain 1a", + "names": [ + "Cinchonain 1a" + ] + }, + { + "compound_id": "C10218", + "inchi": "InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(16-122-76(117)23-11-37(92)54(102)59(107)45(23)47-25(78(119)127-65)13-39(94)56(104)61(47)109)125-81(69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)133-75(116)22-9-36(91)53(101)42(10-22)124-64-27(15-41(96)58(106)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)17-123-77(118)24-12-38(93)55(103)60(108)46(24)48-26(79(120)128-66)14-40(95)57(105)62(48)110/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1", + "name": "Coriariin A", + "names": [ + "Coriariin A" + ] + }, + { + "compound_id": "C10219", + "inchi": "InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1", + "name": "Corilagin", + "names": [ + "Corilagin" + ] + }, + { + "compound_id": "C10220", + "inchi": "InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)43)30(47)54-22-8-14(7-21(42)28(22)46)33(50)57-29-23(55-31(48)12-3-17(38)26(44)18(39)4-12)9-35(53,34(51)52)10-24(29)56-32(49)13-5-19(40)27(45)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29-,35+/m1/s1", + "name": "3,5-Di-O-galloyl-4-O-digalloylquinic acid", + "names": [ + "3,5-Di-O-galloyl-4-O-digalloylquinic acid" + ] + }, + { + "compound_id": "C10221", + "inchi": "InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29+/m0/s1", + "name": "Epicatechin-(4beta->8)-ent-epicatechin", + "names": [ + "Epicatechin-(4beta->8)-ent-epicatechin" + ] + }, + { + "compound_id": "C10222", + "inchi": "InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1", + "name": "Cinnamtannin A4", + "names": [ + "Cinnamtannin A4", + "[Epicatechin-(4beta->8)]5-epicatechin" + ] + }, + { + "compound_id": "C10223", + "inchi": "InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1", + "name": "Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester", + "names": [ + "Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester" + ] + }, + { + "compound_id": "C10224", + "inchi": "InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1", + "name": "Eugeniin", + "names": [ + "Eugeniin", + "Tellimagrandin II" + ] + }, + { + "compound_id": "C10225", + "inchi": "InChI=1S/C45H38O16/c46-20-4-6-22-32(14-20)59-43(18-2-9-26(49)29(52)12-18)40(57)34(22)36-38(55)24-16-31(54)42(17-1-8-25(48)28(51)11-17)61-45(24)37(39(36)56)35-23-7-5-21(47)15-33(23)60-44(41(35)58)19-3-10-27(50)30(53)13-19/h1-15,31,34-35,40-44,46-58H,16H2/t31-,34+,35+,40+,41+,42+,43+,44-/m0/s1", + "name": "ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol", + "names": [ + "ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol" + ] + }, + { + "compound_id": "C10226", + "inchi": "InChI=1S/C24H14O11/c25-8-1-9(26)3-11(2-8)32-21-13(29)6-14(30)22-24(21)35-23-17(34-22)7-16-19(20(23)31)18-12(28)4-10(27)5-15(18)33-16/h1-7,25-31H", + "name": "Fucofuroeckol B", + "names": [ + "Fucofuroeckol B" + ] + }, + { + "compound_id": "C10227", + "inchi": "InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1", + "name": "Gallocatechin-(4alpha->8)-epigallocatechin", + "names": [ + "Gallocatechin-(4alpha->8)-epigallocatechin" + ] + }, + { + "compound_id": "C10228", + "inchi": "InChI=1S/C30H26O11/c31-14-4-1-12(2-5-14)29-27(39)26(24-20(36)8-15(32)9-23(24)40-29)25-21(37)11-18(34)16-10-22(38)28(41-30(16)25)13-3-6-17(33)19(35)7-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26+,27+,28+,29+/m0/s1", + "name": "Gambiriin C", + "names": [ + "Epiafzelechin-(4beta->8)-catechin", + "Gambiriin C" + ] + }, + { + "compound_id": "C10229", + "inchi": "InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)129-67-65-39(14-122-74(115)19-7-31(88)50(98)57(105)41(19)43-21(76(117)127-65)9-33(90)52(100)59(43)107)125-81(69(67)131-72(113)17-3-28(85)48(96)29(86)4-17)133-73(114)18-5-30(87)49(97)38(6-18)124-64-25(13-37(94)56(104)63(64)111)80(121)134-82-70-68(130-78(119)23-11-35(92)54(102)61(109)45(23)46-24(79(120)132-70)12-36(93)55(103)62(46)110)66-40(126-82)15-123-75(116)20-8-32(89)51(99)58(106)42(20)44-22(77(118)128-66)10-34(91)53(101)60(44)108/h1-13,39-40,65-70,81-111H,14-15H2/t39-,40-,65-,66-,67+,68+,69-,70-,81-,82-/m1/s1", + "name": "Gemin A", + "names": [ + "Gemin A" + ] + }, + { + "compound_id": "C10230", + "inchi": "InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1", + "name": "Geraniin", + "names": [ + "Geraniin" + ] + }, + { + "compound_id": "C10231", + "inchi": "InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)30-28(38)25(17-7-6-16(32)10-23(17)40-30)26-21(35)12-24-18(27(26)37)11-22(36)29(39-24)14-3-8-19(33)20(34)9-14/h1-10,12,22,25,28-38H,11H2/t22-,25+,28-,29+,30+/m0/s1", + "name": "Guibourtinidol-(4alpha->6)-catechin", + "names": [ + "Guibourtinidol-(4alpha->6)-catechin" + ] + }, + { + "compound_id": "C10232", + "inchi": "InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25-,30-,32+,33-,39+,41-/m1/s1", + "name": "Isoterchebin", + "names": [ + "Isoterchebin", + "Trapain" + ] + }, + { + "compound_id": "C10233", + "inchi": "InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28+,34+,35-,36-,37-/m1/s1", + "name": "Kandelin A-1", + "names": [ + "Cinchonain-1a-(4beta->8)-catechin", + "Kandelin A-1" + ] + }, + { + "compound_id": "C10234", + "inchi": "InChI=1S/C30H24O9/c31-16-5-1-14(2-6-16)28-23(36)11-19-21(34)12-25-27(29(19)37-28)20-13-30(39-25,15-3-7-17(32)8-4-15)38-24-10-18(33)9-22(35)26(20)24/h1-10,12,20,23,28,31-36H,11,13H2/t20?,23-,28-,30+/m1/s1", + "name": "Mahuannin D", + "names": [ + "Mahuannin D", + "ent-Apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin" + ] + }, + { + "compound_id": "C10235", + "inchi": "InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(43(67)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)10-3-17(51)28(56)32(60)23(10)24-12(44(68)77-38)6-20(31(59)33(24)61)74-35-14(40(63)64)5-18(52)29(57)34(35)62/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)", + "name": "Mallotusinic acid", + "names": [ + "Mallotusinic acid" + ] + }, + { + "compound_id": "C10236", + "inchi": "InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1", + "name": "Pedunculagin", + "names": [ + "Pedunculagin" + ] + }, + { + "compound_id": "C10237", + "inchi": "InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1", + "name": "Proanthocyanidin A2", + "names": [ + "Epicatechin-(2beta->7,4beta->8)-epicatechin", + "Proanthocyanidin A2" + ] + }, + { + "compound_id": "C10238", + "inchi": "InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1", + "name": "Procyanidin B4", + "names": [ + "Catechin-(4alpha->8)-epicatechin", + "Procyanidin B4" + ] + }, + { + "compound_id": "C10239", + "inchi": "InChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1", + "name": "Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol", + "names": [ + "Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol" + ] + }, + { + "compound_id": "C10240", + "inchi": "InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-75(116)22-9-36(91)53(101)37(92)10-22)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)17-123-77(118)26-15-42(58(106)62(110)48(26)47-25(79(120)127-65)13-40(95)56(104)61(47)109)124-64-27(14-41(96)57(105)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)16-122-76(117)23-11-38(93)54(102)59(107)45(23)46-24(78(119)128-66)12-39(94)55(103)60(46)108/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1", + "name": "Rugosin D", + "names": [ + "Rugosin D" + ] + }, + { + "compound_id": "C10241", + "inchi": "InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34?/m1/s1", + "name": "Tellimagrandin I", + "names": [ + "1-Desgalloyleugeniin", + "Tellimagrandin I" + ] + }, + { + "compound_id": "C10242", + "inchi": "InChI=1S/C28H10O16/c29-5-1-3-7(17(33)15(5)31)9-13-11-12-14(28(40)44-23(11)19(35)21(9)41-25(3)37)10-8-4(2-6(30)16(32)18(8)34)26(38)42-22(10)20(36)24(12)43-27(13)39/h1-2,29-36H", + "name": "Terminalin", + "names": [ + "Gallagic acid", + "Terminalin" + ] + }, + { + "compound_id": "C10243", + "inchi": "InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34-/m1/s1", + "name": "1,2,3,4-Tetragalloyl-alpha-D-glucose", + "names": [ + "1,2,3,4-Tetragalloyl-alpha-D-glucose" + ] + }, + { + "compound_id": "C10244", + "inchi": "InChI=1S/C17H14O4/c1-19-11-5-9-3-4-10-6-13(18)17(20-2)12-8-21-14(7-11)16(9)15(10)12/h3-7,18H,8H2,1-2H3", + "name": "Agrostophyllin", + "names": [ + "Agrostophyllin" + ] + }, + { + "compound_id": "C10245", + "inchi": "InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1", + "name": "Astringin", + "names": [ + "Astringin" + ] + }, + { + "compound_id": "C10246", + "inchi": "InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3", + "name": "Batatasin I", + "names": [ + "2,5,7-Trimethoxyphenanthren-3-ol", + "Batatasin I" + ] + }, + { + "compound_id": "C10247", + "inchi": "InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3", + "name": "Batatasin IV", + "names": [ + "3-[2-(2-Hydroxyphenyl)ethyl]-5-methoxyphenol", + "Batatasin IV" + ] + }, + { + "compound_id": "C10248", + "inchi": "InChI=1S/C30H24O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3,5-7,9-14,31-34H,4,8H2,1-2H3", + "name": "Blestriarene B", + "names": [ + "Blestriarene B" + ] + }, + { + "compound_id": "C10249", + "inchi": "InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35-,39+,40-,41-,42+/m1/s1", + "name": "Canaliculatol", + "names": [ + "Canaliculatol" + ] + }, + { + "compound_id": "C10250", + "inchi": "InChI=1S/C24H28O4/c1-16(2)5-4-6-17(3)7-12-21-23(27)13-18(14-24(21)28)8-9-19-10-11-20(25)15-22(19)26/h5,7-11,13-15,25-28H,4,6,12H2,1-3H3/b9-8+,17-7+", + "name": "Chlorophorin", + "names": [ + "Chlorophorin" + ] + }, + { + "compound_id": "C10251", + "inchi": "InChI=1S/C17H16O5/c1-20-16-10-4-3-8-5-9(18)6-12-13(8)14(10)11(7-22-12)15(19)17(16)21-2/h5-6,18-19H,3-4,7H2,1-2H3", + "name": "Coelogin", + "names": [ + "Coelogin" + ] + }, + { + "compound_id": "C10252", + "inchi": "InChI=1S/C42H32O9/c43-24-7-1-20(2-8-24)35-38(23-13-27(46)15-28(47)14-23)36(21-3-9-25(44)10-4-21)41-32-17-30(49)19-34(51)40(32)37(22-5-11-26(45)12-6-22)42(41)31-16-29(48)18-33(50)39(31)35/h1-19,35,37,41-51H/t35-,37+,41-,42+/m0/s1", + "name": "Copalliferol B", + "names": [ + "Copalliferol B" + ] + }, + { + "compound_id": "C10253", + "inchi": "InChI=1S/C14H14O3/c15-12-7-10(8-13(16)9-12)5-6-11-3-1-2-4-14(11)17/h1-4,7-9,15-17H,5-6H2", + "name": "Demethylbatatasin IV", + "names": [ + "Demethylbatatasin IV" + ] + }, + { + "compound_id": "C10254", + "inchi": "InChI=1S/C14H14O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2", + "name": "Dihydropinosylvin", + "names": [ + "Dihydropinosylvin" + ] + }, + { + "compound_id": "C10255", + "inchi": "InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2", + "name": "Dihydroresveratrol", + "names": [ + "Dihydroresveratrol" + ] + }, + { + "compound_id": "C10256", + "inchi": "InChI=1S/C16H18O4/c1-19-14-9-12(10-15(20-2)16(14)18)4-3-11-5-7-13(17)8-6-11/h5-10,17-18H,3-4H2,1-2H3", + "name": "4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene", + "names": [ + "4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene" + ] + }, + { + "compound_id": "C10257", + "inchi": "InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3", + "name": "4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene", + "names": [ + "4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene" + ] + }, + { + "compound_id": "C10258", + "inchi": "InChI=1S/C15H12O3/c16-11-3-8-1-2-9-4-12(17)6-13-15(9)14(8)10(5-11)7-18-13/h3-6,16-17H,1-2,7H2", + "name": "Flavidin", + "names": [ + "9,10-Dihydro-5H-phenanthro[4,5-bcd]pyran-2,7-diol", + "Flavidin" + ] + }, + { + "compound_id": "C10259", + "inchi": "InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3", + "name": "Glepidotin C", + "names": [ + "Glepidotin C" + ] + }, + { + "compound_id": "C10260", + "inchi": "InChI=1S/C28H22O6/c29-19-7-2-15(3-8-19)1-4-17-13-23(33)27-24(16-5-9-20(30)10-6-16)25(26(17)28(27)34)18-11-21(31)14-22(32)12-18/h1-14,24-27,29-32H/b4-1+/t24-,25-,26+,27-/m1/s1", + "name": "Gnetin A", + "names": [ + "Gnetin A" + ] + }, + { + "compound_id": "C10261", + "inchi": "InChI=1S/C15H14O3/c1-18-13-8-11(16)7-10-6-5-9-3-2-4-12(17)14(9)15(10)13/h2-4,7-8,16-17H,5-6H2,1H3", + "name": "Hircinol", + "names": [ + "Hircinol" + ] + }, + { + "compound_id": "C10262", + "inchi": "InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2", + "name": "Hydrangenol", + "names": [ + "Hydrangenol" + ] + }, + { + "compound_id": "C10263", + "inchi": "InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11?,13-,15-/m0/s1", + "name": "Amabiline", + "names": [ + "Amabiline", + "Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester" + ] + }, + { + "compound_id": "C10264", + "inchi": "InChI=1S/C21H22O4/c1-14(2)9-11-16-17(12-10-15-7-5-4-6-8-15)20(21(23)24)18(22)13-19(16)25-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,24)/b12-10+", + "name": "3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid", + "names": [ + "3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid" + ] + }, + { + "compound_id": "C10265", + "inchi": "InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-14(18)15(20-2)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3", + "name": "Isobatatasin I", + "names": [ + "Isobatatasin I" + ] + }, + { + "compound_id": "C10266", + "inchi": "InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1", + "name": "Isorhapontin", + "names": [ + "Isorhapontin" + ] + }, + { + "compound_id": "C10267", + "inchi": "InChI=1S/C16H16O3/c1-18-12-8-11-7-6-10-4-3-5-13(17)15(10)16(11)14(9-12)19-2/h3-5,8-9,17H,6-7H2,1-2H3", + "name": "Loroglossol", + "names": [ + "Loroglossol" + ] + }, + { + "compound_id": "C10268", + "inchi": "InChI=1S/C15H14O4/c16-12-8-5-10(6-9-12)4-7-11-2-1-3-13(17)14(11)15(18)19/h1-3,5-6,8-9,16-17H,4,7H2,(H,18,19)", + "name": "Lunularic acid", + "names": [ + "Lunularic acid" + ] + }, + { + "compound_id": "C10269", + "inchi": "InChI=1S/C14H14O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-3,6-10,15-16H,4-5H2", + "name": "Lunularin", + "names": [ + "3,4'-Ethylenebisphenol", + "Lunularin" + ] + }, + { + "compound_id": "C10270", + "inchi": "InChI=1S/C28H24O5/c29-24-6-2-4-21-12-9-18-10-13-22(14-11-18)32-26-17-20(16-25(30)27(26)31)8-7-19-3-1-5-23(15-19)33-28(21)24/h1-6,10-11,13-17,29-31H,7-9,12H2", + "name": "Marchantin A", + "names": [ + "Marchantin A" + ] + }, + { + "compound_id": "C10271", + "inchi": "InChI=1S/C16H18O3/c1-18-15-5-3-4-12(9-15)6-7-13-8-14(17)11-16(10-13)19-2/h3-5,8-11,17H,6-7H2,1-2H3", + "name": "3'-O-Methylbatatasin III", + "names": [ + "3'-O-Methylbatatasin III" + ] + }, + { + "compound_id": "C10272", + "inchi": "InChI=1S/C16H16O3/c1-18-13-8-11-4-3-10-7-12(17)5-6-14(10)16(11)15(9-13)19-2/h5-9,17H,3-4H2,1-2H3", + "name": "Orchinol", + "names": [ + "9,10-Dihydro-5,7-dimethoxyphenanthren-2-ol", + "Orchinol" + ] + }, + { + "compound_id": "C10273", + "inchi": "InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+", + "name": "Oxyresveratrol", + "names": [ + "Oxyresveratrol" + ] + }, + { + "compound_id": "C10274", + "inchi": "InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1", + "name": "Phyllodulcin", + "names": [ + "Phyllodulcin" + ] + }, + { + "compound_id": "C10275", + "inchi": "InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1", + "name": "Piceid", + "names": [ + "3,4,5-Trihydroxystilbene-3-beta-monoglucoside", + "Piceid", + "Polydatin" + ] + }, + { + "compound_id": "C10276", + "inchi": "InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+", + "name": "Pinosylvin methyl ether", + "names": [ + "5-Methoxy-3-stilbenol", + "Pinosylvin methyl ether" + ] + }, + { + "compound_id": "C10277", + "inchi": "InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1", + "name": "Anacrotine", + "names": [ + "Anacrotine" + ] + }, + { + "compound_id": "C10278", + "inchi": "InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m0/s1", + "name": "O-7-Angelylheliotridine", + "names": [ + "O-7-Angelylheliotridine", + "Rivularine" + ] + }, + { + "compound_id": "C10279", + "inchi": "InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+/m0/s1", + "name": "Angularine", + "names": [ + "Angularine" + ] + }, + { + "compound_id": "C10280", + "inchi": "InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26-,27+,28-,31+/m1/s1", + "name": "Auriculine", + "names": [ + "Auriculine" + ] + }, + { + "compound_id": "C10281", + "inchi": "InChI=1S/C19H22O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-8,12-13,20-21H,9-11H2,1-2H3", + "name": "4-Prenyldihydropinosylvin", + "names": [ + "4-Prenyldihydropinosylvin" + ] + }, + { + "compound_id": "C10282", + "inchi": "InChI=1S/C21H27NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-,16-7-/t13-,17-,21+/m1/s1", + "name": "Clivoline", + "names": [ + "Clivoline" + ] + }, + { + "compound_id": "C10283", + "inchi": "InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3/b5-4+", + "name": "4'-Prenyloxyresveratrol", + "names": [ + "4'-Prenyloxyresveratrol" + ] + }, + { + "compound_id": "C10284", + "inchi": "InChI=1S/C8H13NO3/c10-4-5-1-2-9-3-6(11)8(12)7(5)9/h1,6-8,10-12H,2-4H2/t6-,7-,8-/m1/s1", + "name": "Crotanecine", + "names": [ + "Crotanecine" + ] + }, + { + "compound_id": "C10285", + "inchi": "InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4+", + "name": "4-Prenylresveratrol", + "names": [ + "4-Prenylresveratrol" + ] + }, + { + "compound_id": "C10286", + "inchi": "InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1", + "name": "Doronine", + "names": [ + "4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-", + "Doronine" + ] + }, + { + "compound_id": "C10287", + "inchi": "InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+", + "name": "Pterostilbene", + "names": [ + "Pterostilbene" + ] + }, + { + "compound_id": "C10288", + "inchi": "InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1", + "name": "Rhaponticin", + "names": [ + "Rhaponticin", + "Rhapontin" + ] + }, + { + "compound_id": "C10289", + "inchi": "InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1", + "name": "epsilon-Viniferin", + "names": [ + "epsilon-Viniferin" + ] + }, + { + "compound_id": "C10290", + "inchi": "InChI=1S/C10H8O4/c1-5-3-6-7(11)4-8(13-2)9(12)10(6)14-5/h3-4H,1-2H3", + "name": "Acamelin", + "names": [ + "Acamelin" + ] + }, + { + "compound_id": "C10291", + "inchi": "InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3", + "name": "Alizarin 2-methyl ether", + "names": [ + "1-Hydroxy-2-methoxyanthraquinone", + "Alizarin 2-methyl ether" + ] + }, + { + "compound_id": "C10292", + "inchi": "InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1", + "name": "Alkannin", + "names": [ + "Alkannin" + ] + }, + { + "compound_id": "C10293", + "inchi": "InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1", + "name": "Alkannin beta,beta-dimethylacrylate", + "names": [ + "Alkannin beta,beta-dimethylacrylate" + ] + }, + { + "compound_id": "C10294", + "inchi": "InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2", + "name": "Aloe-emodin", + "names": [ + "Aloe-emodin" + ] + }, + { + "compound_id": "C10295", + "inchi": "InChI=1S/C20H14O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-6,14,19,21-22,25-26H,7H2/t14-,19+,20-/m0/s1", + "name": "Alteichin", + "names": [ + "Alteichin", + "Alterperylenol" + ] + }, + { + "compound_id": "C10296", + "inchi": "InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1", + "name": "Altersolanol A", + "names": [ + "Altersolanol A" + ] + }, + { + "compound_id": "C10297", + "inchi": "InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H", + "name": "Anthragallol", + "names": [ + "Anthragallol" + ] + }, + { + "compound_id": "C10298", + "inchi": "InChI=1S/C24H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29-19(2)25)17-20-16-21(26)18-23(28-3)24(20)27/h16,18,22H,4-15,17H2,1-3H3", + "name": "Ardisianone", + "names": [ + "Ardisianone" + ] + }, + { + "compound_id": "C10299", + "inchi": "InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1", + "name": "Echimidine", + "names": [ + "7-Angelyl-9-echimidinylretronecine", + "Echimidine" + ] + }, + { + "compound_id": "C10300", + "inchi": "InChI=1S/C12H10O4/c1-5-3-4-7(13)9-8(5)12(16)11(15)6(2)10(9)14/h3-4,13,15H,1-2H3", + "name": "Aristolindiquinone", + "names": [ + "Aristolindiquinone" + ] + }, + { + "compound_id": "C10301", + "inchi": "InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10?,12-,13+,16-/m0/s1", + "name": "Europine", + "names": [ + "9-Lasiocarpylheliotridine", + "Europine" + ] + }, + { + "compound_id": "C10302", + "inchi": "InChI=1S/C18H22O4/c1-7-18(4)9-8-11(10(2)3)12-13(18)15(20)17(22-6)16(21-5)14(12)19/h7,11H,1-2,8-9H2,3-6H3", + "name": "Arnebinone", + "names": [ + "Arnebinone" + ] + }, + { + "compound_id": "C10303", + "inchi": "InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1", + "name": "Aurantio-obtusin beta-D-glucoside", + "names": [ + "Aurantio-obtusin beta-D-glucoside" + ] + }, + { + "compound_id": "C10304", + "inchi": "InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16+/m1/s1", + "name": "Fulvine", + "names": [ + "Fulvine" + ] + }, + { + "compound_id": "C10305", + "inchi": "InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1", + "name": "Barbaloin", + "names": [ + "Aloin", + "Aloin A", + "Barbaloin" + ] + }, + { + "compound_id": "C10306", + "inchi": "InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3", + "name": "Bikaverin", + "names": [ + "Bikaverin" + ] + }, + { + "compound_id": "C10307", + "inchi": "InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", + "name": "Cascaroside A", + "names": [ + "Cascaroside A" + ] + }, + { + "compound_id": "C10308", + "inchi": "InChI=1S/C30H18O8/c1-11-9-15-23(29(37)21-13(25(15)33)5-3-7-17(21)31)27(35)19(11)20-12(2)10-16-24(28(20)36)30(38)22-14(26(16)34)6-4-8-18(22)32/h3-10,31-32,35-36H,1-2H3", + "name": "Cassiamin C", + "names": [ + "Cassiamin C" + ] + }, + { + "compound_id": "C10309", + "inchi": "InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-33H,5-6,9H2,1-4H3/t10-,11-/m0/s1", + "name": "Cercosporin", + "names": [ + "Cercosporin" + ] + }, + { + "compound_id": "C10310", + "inchi": "InChI=1S/C12H10O2/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h3-6H,1-2H3", + "name": "Chimaphylin", + "names": [ + "Chimaphilin", + "Chimaphylin" + ] + }, + { + "compound_id": "C10311", + "inchi": "InChI=1S/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3", + "name": "7-Chloroemodin", + "names": [ + "7-Chloroemodin" + ] + }, + { + "compound_id": "C10312", + "inchi": "InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H", + "name": "Danthron", + "names": [ + "1,8-Dihydroxyanthraquinone", + "Chrysazin", + "Danthron" + ] + }, + { + "compound_id": "C10313", + "inchi": "InChI=1S/C25H28O12/c1-9-6-10-14(18(29)15-11(16(10)27)7-12(32-2)22(33-3)24(15)35-5)23(34-4)21(9)37-25-20(31)19(30)17(28)13(8-26)36-25/h6-7,13,17,19-20,25-26,28,30-31H,8H2,1-5H3/t13-,17-,19+,20-,25+/m1/s1", + "name": "Chryso-obtusin glucoside", + "names": [ + "Chryso-obtusin glucoside" + ] + }, + { + "compound_id": "C10314", + "inchi": "InChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3", + "name": "Chrysophanic acid 9-anthrone", + "names": [ + "Chrysarobin", + "Chrysophanic acid 9-anthrone", + "Chrysophanol anthrone" + ] + }, + { + "compound_id": "C10315", + "inchi": "InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3", + "name": "Chrysophanol", + "names": [ + "1,8-Dihydroxy-3-methylanthraquinone", + "Chrysophanic acid", + "Chrysophanol" + ] + }, + { + "compound_id": "C10316", + "inchi": "InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1", + "name": "Chrysophanol 8-O-beta-D-glucoside", + "names": [ + "Chrysophanol 8-O-beta-D-glucoside", + "Chrysophanol 8-glucoside" + ] + }, + { + "compound_id": "C10317", + "inchi": "InChI=1S/C20H22O6/c1-6-7-20(5)13-9(4)11-12(17(24)18(13)26-19(20)25)14(21)10(8(2)3)15(22)16(11)23/h6,8,19,22,24-25H,1,7H2,2-5H3/t19?,20-/m1/s1", + "name": "Coleone A", + "names": [ + "Coleone A" + ] + }, + { + "compound_id": "C10318", + "inchi": "InChI=1S/C60H56O11/c1-31(2)13-10-25-58(7)28-22-34-40(69-58)19-16-37-43(34)53(64)47(49-52(63)39-18-21-42-36(45(39)55(66)57(49)68)24-30-60(9,71-42)27-12-15-33(5)6)46(50(37)61)48-51(62)38-17-20-41-35(44(38)54(65)56(48)67)23-29-59(8,70-41)26-11-14-32(3)4/h13-24,28-30,67-68H,10-12,25-27H2,1-9H3/t58-,59-,60-/m1/s1", + "name": "Conocurvone", + "names": [ + "Conocurvone" + ] + }, + { + "compound_id": "C10319", + "inchi": "InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20+/m0/s1", + "name": "Heliosupine", + "names": [ + "7-Angelyl-9-echimidinylheliotridine", + "Heliosupine" + ] + }, + { + "compound_id": "C10320", + "inchi": "InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-20(27-17(2)23)15-18-14-19(24)16-21(26-3)22(18)25/h14,16,20H,4-13,15H2,1-3H3", + "name": "Cornudentanone", + "names": [ + "Cornudentanone" + ] + }, + { + "compound_id": "C10321", + "inchi": "InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8+/m0/s1", + "name": "Heliotridine", + "names": [ + "Heliotridine" + ] + }, + { + "compound_id": "C10322", + "inchi": "InChI=1S/C14H10O4/c1-6(2)9-4-8-11(15)10-7(3)5-17-14(10)12(16)13(8)18-9/h4-5H,1H2,2-3H3", + "name": "Cyperaquinone", + "names": [ + "3-Methyl-6-prop-1-en-2-ylfuro(3,2-f(1)benzoxole-4,8-dione", + "Cyperaquinone" + ] + }, + { + "compound_id": "C10323", + "inchi": "InChI=1S/C16H12O5/c1-20-13-7-12(18)14-8-5-6-11(17)16(21-2)9(8)3-4-10(14)15(13)19/h3-7,17H,1-2H3", + "name": "Cypripedin", + "names": [ + "Cypripedin" + ] + }, + { + "compound_id": "C10324", + "inchi": "InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1", + "name": "Heliotrine", + "names": [ + "9-Heliotrylheliotridine", + "Heliotrine" + ] + }, + { + "compound_id": "C10325", + "inchi": "InChI=1S/C15H14O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,9H,8H2,1-2H3", + "name": "Deoxylapachol", + "names": [ + "Deoxylapachol" + ] + }, + { + "compound_id": "C10326", + "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15+/m0/s1", + "name": "Indicine", + "names": [ + "Indicine" + ] + }, + { + "compound_id": "C10327", + "inchi": "InChI=1S/C15H10O4/c16-7-8-5-6-11-12(13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2", + "name": "Digiferrugineol", + "names": [ + "1-Hydroxy-2-hydroxymethylanthraquinone", + "Digiferrugineol" + ] + }, + { + "compound_id": "C10328", + "inchi": "InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1", + "name": "Integerrimine", + "names": [ + "Integerrimine" + ] + }, + { + "compound_id": "C10329", + "inchi": "InChI=1S/C15H10O4/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6,16-17H,1H3", + "name": "1,4-Dihydroxy-2-methylanthraquinone", + "names": [ + "1,4-Dihydroxy-2-methylanthraquinone" + ] + }, + { + "compound_id": "C10330", + "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1", + "name": "Intermedine", + "names": [ + "9-(+)-Trachelanthylretronecine", + "Intermedine" + ] + }, + { + "compound_id": "C10331", + "inchi": "InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3", + "name": "2,6-Dimethoxybenzoquinone", + "names": [ + "2,6-Dimethoxybenzoquinone", + "2,6-Dimetoxy-p-benzoquinone" + ] + }, + { + "compound_id": "C10332", + "inchi": "InChI=1S/C22H14O6/c1-9-5-12-19(16(25)6-9)17(26)8-13(21(12)27)18-10(2)7-11-14(23)3-4-15(24)20(11)22(18)28/h3-8,25,28H,1-2H3", + "name": "Diospyrin", + "names": [ + "Diospyrin" + ] + }, + { + "compound_id": "C10333", + "inchi": "InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1", + "name": "Isatidine", + "names": [ + "Isatidine", + "Retrorsine N-oxide" + ] + }, + { + "compound_id": "C10334", + "inchi": "InChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1", + "name": "Dothistromin", + "names": [ + "Dothistromin" + ] + }, + { + "compound_id": "C10335", + "inchi": "InChI=1S/C11H8O4/c1-5-9(13)6-3-2-4-7(12)8(6)11(15)10(5)14/h2-4,12,14H,1H3", + "name": "Droserone", + "names": [ + "Droserone" + ] + }, + { + "compound_id": "C10336", + "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)18)14(19)21-12-5-7-16-6-4-11(8-17)13(12)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10?,12-,13-,15-/m1/s1", + "name": "Isolycopsamine", + "names": [ + "Isolycopsamine" + ] + }, + { + "compound_id": "C10337", + "inchi": "InChI=1S/C15H14O3/c1-8-15(2,3)11-13(17)12(16)9-6-4-5-7-10(9)14(11)18-8/h4-8H,1-3H3", + "name": "Dunnione", + "names": [ + "Dunnione" + ] + }, + { + "compound_id": "C10338", + "inchi": "InChI=1S/C19H20O6/c1-10(2)5-8-16(25-11(3)20)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24-4/h5-7,9,16,23H,8H2,1-4H3/t16-/m0/s1", + "name": "Echinone", + "names": [ + "6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-1,4-naphthalenedione", + "Echinone" + ] + }, + { + "compound_id": "C10339", + "inchi": "InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1", + "name": "Jacobine", + "names": [ + "Jacobine" + ] + }, + { + "compound_id": "C10340", + "inchi": "InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9+/m0/s1", + "name": "Eleutherin", + "names": [ + "Eleutherin" + ] + }, + { + "compound_id": "C10341", + "inchi": "InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21+/m1/s1", + "name": "Lasiocarpine", + "names": [ + "7-Angelyl-9-lasiocarpylheliotridine", + "Lasiocarpine" + ] + }, + { + "compound_id": "C10342", + "inchi": "InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3", + "name": "Embelin", + "names": [ + "Embelin" + ] + }, + { + "compound_id": "C10343", + "inchi": "InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3", + "name": "Emodin", + "names": [ + "Emodin" + ] + }, + { + "compound_id": "C10344", + "inchi": "InChI=1S/C20H27NO7/c1-5-11(2)17(22)28-15-7-9-21-8-6-14(16(15)21)10-26-19(24)20(25)12(3)18(23)27-13(20)4/h5-6,12-13,15-16,25H,7-10H2,1-4H3/b11-5-/t12-,13-,15-,16-,20+/m1/s1", + "name": "Latifoline", + "names": [ + "(+)-Latifoline", + "Latifoline" + ] + }, + { + "compound_id": "C10345", + "inchi": "InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1", + "name": "Emodin 8-glucoside", + "names": [ + "1-beta-D-Glucopyranosyloxy-3-methyl-6-hydroxy-8-hydroxy-9,10-anthraquinone", + "Emodin 8-glucoside" + ] + }, + { + "compound_id": "C10346", + "inchi": "InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1", + "name": "Frangulin A", + "names": [ + "Frangulin A" + ] + }, + { + "compound_id": "C10347", + "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10?,12-,13-,15+/m1/s1", + "name": "Lycopsamine", + "names": [ + "9-Viridiflorylretronecine", + "Lycopsamine" + ] + }, + { + "compound_id": "C10348", + "inchi": "InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1", + "name": "Macrophylline", + "names": [ + "Macrophylline" + ] + }, + { + "compound_id": "C10349", + "inchi": "InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1", + "name": "Frangulin B", + "names": [ + "Frangulin B" + ] + }, + { + "compound_id": "C10350", + "inchi": "InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1", + "name": "Monocrotaline", + "names": [ + "Monocrotaline" + ] + }, + { + "compound_id": "C10351", + "inchi": "InChI=1S/C16H20O2/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11H,4,6,8H2,1-3H3/b13-7+", + "name": "Geranylbenzoquinone", + "names": [ + "Geranylbenzoquinone" + ] + }, + { + "compound_id": "C10352", + "inchi": "InChI=1S/C15H14O4/c1-7(2)9-5-12(17)11(6-16)13-10(9)4-8(3)14(18)15(13)19/h4-7,17H,1-3H3", + "name": "Hibiscoquinone A", + "names": [ + "Hibiscoquinone A" + ] + }, + { + "compound_id": "C10353", + "inchi": "InChI=1S/C18H27NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h11-13,15H,4-10H2,1-3H3/t11?,12-,13-,15-,17-,18-/m1/s1", + "name": "Nemorensine", + "names": [ + "C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)-", + "Nemorensine" + ] + }, + { + "compound_id": "C10354", + "inchi": "InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2", + "name": "2-Hydroxymethylanthraquinone", + "names": [ + "2-Hydroxymethylanthraquinone", + "Anthraquinone-2-methanol" + ] + }, + { + "compound_id": "C10355", + "inchi": "InChI=1S/C20H12O5/c21-14-5-1-3-11-10(7-8-16(23)18(11)14)13-9-17(24)19-12(20(13)25)4-2-6-15(19)22/h1-9,21-23H", + "name": "Hypoxylone", + "names": [ + "Hypoxylone" + ] + }, + { + "compound_id": "C10356", + "inchi": "InChI=1S/C9H15NO3/c1-10-4-2-7(6-11)9(13)8(12)3-5-10/h2,8,11-12H,3-6H2,1H3/b7-2-/t8-/m1/s1", + "name": "Otonecine", + "names": [ + "1H-Pyrrolizinium, 2,3,5,7a-tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-, (1R-(1alpha,4beta,7abeta))-", + "Otonecine" + ] + }, + { + "compound_id": "C10357", + "inchi": "InChI=1S/C22H33NO8/c1-12(2)21(27)10-17(24)30-14(5)22(28,13(3)4)20(26)29-11-15-6-8-23-9-7-16(18(15)23)31-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14?,16-,18-,21+,22+/m1/s1", + "name": "Parsonsine", + "names": [ + "Parsonsine" + ] + }, + { + "compound_id": "C10358", + "inchi": "InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3", + "name": "Isodiospyrin", + "names": [ + "Isodiospyrin" + ] + }, + { + "compound_id": "C10359", + "inchi": "InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1", + "name": "Petasitenine", + "names": [ + "Petasitenine" + ] + }, + { + "compound_id": "C10360", + "inchi": "InChI=1S/C20H18O5/c1-9(2)4-5-11-14(21)8-13-17(19(11)24)20(25)16-12(18(13)23)6-10(3)7-15(16)22/h4,6-8,21-22,24H,5H2,1-3H3", + "name": "2-Isoprenylemodin", + "names": [ + "2-Isoprenylemodin" + ] + }, + { + "compound_id": "C10361", + "inchi": "InChI=1S/C20H27NO5/c1-25-18(22)13-20(24,12-15-6-3-2-4-7-15)19(23)26-14-16-9-11-21-10-5-8-17(16)21/h2-4,6-7,16-17,24H,5,8-14H2,1H3/t16-,17+,20-/m1/s1", + "name": "Phalaenopsine T", + "names": [ + "Phalaenopsine T" + ] + }, + { + "compound_id": "C10362", + "inchi": "InChI=1S/C14H10O5/c1-6(15)10-5-8-12(17)7-3-2-4-9(16)11(7)13(18)14(8)19-10/h2-6,15-16H,1H3/t6-/m0/s1", + "name": "Kigelinone", + "names": [ + "Kigelinone" + ] + }, + { + "compound_id": "C10363", + "inchi": "InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1", + "name": "Platyphylline", + "names": [ + "Platyphylline" + ] + }, + { + "compound_id": "C10364", + "inchi": "InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1", + "name": "Retrorsine", + "names": [ + "Retrorsine" + ] + }, + { + "compound_id": "C10365", + "inchi": "InChI=1S/C24H18O8/c1-9-7-13(27)20-21(22(29)11-5-4-6-12(26)18(11)24(20)31)16(9)19-14(28)8-15(32-3)17(10(2)25)23(19)30/h4-8,26-28,30H,1-3H3", + "name": "Knipholone", + "names": [ + "Knipholone" + ] + }, + { + "compound_id": "C10366", + "inchi": "InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3", + "name": "Lapachol", + "names": [ + "Lapachol" + ] + }, + { + "compound_id": "C10367", + "inchi": "InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3", + "name": "beta-Lapachone", + "names": [ + "beta-Lapachone" + ] + }, + { + "compound_id": "C10368", + "inchi": "InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H", + "name": "Lawsone", + "names": [ + "Lawsone" + ] + }, + { + "compound_id": "C10369", + "inchi": "InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2", + "name": "Lucidin", + "names": [ + "Lucidin" + ] + }, + { + "compound_id": "C10370", + "inchi": "InChI=1S/C16H12O5/c1-21-7-11-12(17)6-10-13(16(11)20)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,17,20H,7H2,1H3", + "name": "Lucidin omega-methyl ether", + "names": [ + "2-(Methoxymethyl)-1,3-dihydroxyanthraquinone", + "Lucidin omega-methyl ether" + ] + }, + { + "compound_id": "C10371", + "inchi": "InChI=1S/C15H16O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-8H,1-4H3", + "name": "Mansonone C", + "names": [ + "3,8-Dimethyl-5-isopropyl-1,2-naphthalenedione", + "Mansonone C" + ] + }, + { + "compound_id": "C10372", + "inchi": "InChI=1S/C16H16O4/c1-16(2)8-7-10-13(17)9-5-4-6-11(19-3)12(9)14(18)15(10)20-16/h4-6H,7-8H2,1-3H3", + "name": "9-Methoxy-alpha-lapachone", + "names": [ + "9-Methoxy-alpha-lapachone" + ] + }, + { + "compound_id": "C10373", + "inchi": "InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3", + "name": "5-O-Methylembelin", + "names": [ + "5-O-Methylembelin" + ] + }, + { + "compound_id": "C10374", + "inchi": "InChI=1S/C15H8O4/c16-13-8-3-1-2-4-9(8)14(17)12-10(13)5-6-11-15(12)19-7-18-11/h1-6H,7H2", + "name": "Morindaparvin A", + "names": [ + "1,2-Methylenedioxyanthraquinone", + "Morindaparvin A" + ] + }, + { + "compound_id": "C10375", + "inchi": "InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-/m1/s1", + "name": "Riddelline", + "names": [ + "18-Hydroxyseneciphylline", + "Riddelline" + ] + }, + { + "compound_id": "C10376", + "inchi": "InChI=1S/C15H10O5/c1-6-2-3-7-10(12(6)17)13(18)8-4-5-9(16)15(20)11(8)14(7)19/h2-5,16-17,20H,1H3", + "name": "Morindone", + "names": [ + "1,2,5-Trihydroxy-6-methyl-9,10-anthracenedione", + "Morindone" + ] + }, + { + "compound_id": "C10377", + "inchi": "InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1", + "name": "Nanafrocin", + "names": [ + "(1S,3R)-Nanaomycin A", + "Nanafrocin" + ] + }, + { + "compound_id": "C10378", + "inchi": "InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13-,15+/m1/s1", + "name": "Rinderine", + "names": [ + "9-(+)-Trachelanthylheliotridine", + "Rinderine" + ] + }, + { + "compound_id": "C10379", + "inchi": "InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3", + "name": "Norobtusifolin", + "names": [ + "2-Hydroxychrysophanol", + "Norobtusifolin" + ] + }, + { + "compound_id": "C10380", + "inchi": "InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-/m1/s1", + "name": "Rosmarinine", + "names": [ + "Rosmarinine", + "Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-" + ] + }, + { + "compound_id": "C10381", + "inchi": "InChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3/t12-,16-,18+,19-,22+/m1/s1", + "name": "Obtusifolin 2-glucoside", + "names": [ + "Obtusifolin 2-glucoside" + ] + }, + { + "compound_id": "C10382", + "inchi": "InChI=1S/C28H32O15/c1-9-3-11-17(13(30)4-9)22(34)18-12(19(11)31)5-10(39-2)6-14(18)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1", + "name": "Physcion 8-gentiobioside", + "names": [ + "Physcion 8-O-beta-D-gentiobioside", + "Physcion 8-gentiobioside", + "Physcion diglucoside" + ] + }, + { + "compound_id": "C10383", + "inchi": "InChI=1S/C18H27NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-5,14-16,20H,6-11H2,1-3H3/b12-4-,13-5-/t14-,15-,16-/m1/s1", + "name": "Sarracine", + "names": [ + "7-Angelyl-9-sarracinylplatynecine", + "Sarracine" + ] + }, + { + "compound_id": "C10384", + "inchi": "InChI=1S/C22H22O10/c1-8-3-10-16(19(27)15-11(17(10)25)5-9(30-2)6-12(15)24)13(4-8)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1", + "name": "Physcion 8-glucoside", + "names": [ + "Physcion 8-O-beta-D-monoglucoside", + "Physcion 8-glucoside" + ] + }, + { + "compound_id": "C10385", + "inchi": "InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+", + "name": "Plastoquinone-9", + "names": [ + "Plastoquinone A", + "Plastoquinone-9" + ] + }, + { + "compound_id": "C10386", + "inchi": "InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15+,20-/m1/s1", + "name": "Senaetnine", + "names": [ + "Senaetnine" + ] + }, + { + "compound_id": "C10387", + "inchi": "InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3", + "name": "Plumbagin", + "names": [ + "Plumbagin" + ] + }, + { + "compound_id": "C10388", + "inchi": "InChI=1S/C25H31NO8/c1-7-16(5)24(29)34-20-12-21(33-17(6)27)26-10-9-19(23(20)26)14-32-25(30)18(8-2)13-31-22(28)11-15(3)4/h7-11,20-21H,12-14H2,1-6H3/b16-7+,18-8+/t20-,21+/m1/s1", + "name": "Senampeline A", + "names": [ + "Senampeline A" + ] + }, + { + "compound_id": "C10389", + "inchi": "InChI=1S/C11H12O2/c1-8(2)3-4-9-7-10(12)5-6-11(9)13/h3,5-7H,4H2,1-2H3", + "name": "Prenylbenzoquinone", + "names": [ + "Prenylbenzoquinone" + ] + }, + { + "compound_id": "C10390", + "inchi": "InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3", + "name": "Primin", + "names": [ + "Primin" + ] + }, + { + "compound_id": "C10391", + "inchi": "InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1", + "name": "Seneciphylline", + "names": [ + "Seneciphylline" + ] + }, + { + "compound_id": "C10392", + "inchi": "InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3", + "name": "Pseudohypericin", + "names": [ + "Pseudohypericin" + ] + }, + { + "compound_id": "C10393", + "inchi": "InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+/m0/s1", + "name": "Senecivernine", + "names": [ + "21-Norsenecionan-11,16-dione, 12-hydroxy-14-methyl-, (12zeta,13zeta)-", + "Senecivernine" + ] + }, + { + "compound_id": "C10394", + "inchi": "InChI=1S/C15H8O7/c16-10-5-3-1-2-4-6(5)11(17)8-7(10)12(18)9(15(21)22)14(20)13(8)19/h1-4,18-20H,(H,21,22)", + "name": "Pseudopurpurin", + "names": [ + "Pseudopurpurin" + ] + }, + { + "compound_id": "C10395", + "inchi": "InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H", + "name": "Purpurin", + "names": [ + "Purpurin" + ] + }, + { + "compound_id": "C10396", + "inchi": "InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1", + "name": "Senkirkine", + "names": [ + "Senkirkine" + ] + }, + { + "compound_id": "C10397", + "inchi": "InChI=1S/C15H10O5/c1-20-15-10(17)6-9(16)11-12(15)14(19)8-5-3-2-4-7(8)13(11)18/h2-6,16-17H,1H3", + "name": "Purpurin 1-methyl ether", + "names": [ + "Purpurin 1-methyl ether" + ] + }, + { + "compound_id": "C10398", + "inchi": "InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3", + "name": "Ramentaceone", + "names": [ + "7-Methyljuglone", + "Ramentaceone" + ] + }, + { + "compound_id": "C10399", + "inchi": "InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3", + "name": "Rapanone", + "names": [ + "Rapanone" + ] + }, + { + "compound_id": "C10400", + "inchi": "InChI=1S/C8H13NO/c10-6-7-3-5-9-4-1-2-8(7)9/h3,8,10H,1-2,4-6H2/t8-/m0/s1", + "name": "Supinidine", + "names": [ + "Supinidine" + ] + }, + { + "compound_id": "C10401", + "inchi": "InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)", + "name": "Rhein", + "names": [ + "Rhein" + ] + }, + { + "compound_id": "C10402", + "inchi": "InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3", + "name": "Rubiadin", + "names": [ + "Rubiadin" + ] + }, + { + "compound_id": "C10403", + "inchi": "InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1", + "name": "Supinine", + "names": [ + "Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-", + "Supinine" + ] + }, + { + "compound_id": "C10404", + "inchi": "InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1", + "name": "Sennoside A", + "names": [ + "Sennoside A" + ] + }, + { + "compound_id": "C10405", + "inchi": "InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3", + "name": "Tectoquinone", + "names": [ + "2-Methylanthraquinone", + "Tectoquinone" + ] + }, + { + "compound_id": "C10406", + "inchi": "InChI=1S/C13H10O8/c1-18-10-6(14)4-5(7(15)11(10)19-2)9(17)13-12(8(4)16)20-3-21-13/h16-17H,3H2,1-2H3", + "name": "Tricrozarin A", + "names": [ + "Tricrozarin A" + ] + }, + { + "compound_id": "C10407", + "inchi": "InChI=1S/C17H14O6/c1-6-7(2)15(20)13-12(14(6)19)16(21)9-4-8(23-3)5-10(18)11(9)17(13)22/h4-5,18-20H,1-3H3", + "name": "Ventinone A", + "names": [ + "1,4,5-Trihydroxy-7-methoxy-2,3-dimethylanthraquinone", + "Ventinone A" + ] + }, + { + "compound_id": "C10408", + "inchi": "InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14?,16-,17-,20+/m1/s1", + "name": "Symlandine", + "names": [ + "7-Angelyl-9-(-)-viridiflorylretronecine", + "Symlandine" + ] + }, + { + "compound_id": "C10409", + "inchi": "InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17-,20+/m1/s1", + "name": "Symphytine", + "names": [ + "7-Tiglyl-9-(-)-viridiflorylretronecine", + "Symphytine" + ] + }, + { + "compound_id": "C10410", + "inchi": "InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1", + "name": "Triangularine", + "names": [ + "6-Angelyl-9-sarracinylretronecine", + "Triangularine" + ] + }, + { + "compound_id": "C10411", + "inchi": "InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3/t7-,8+,10+/m0/s1", + "name": "Tussilagine", + "names": [ + "Tussilagine" + ] + }, + { + "compound_id": "C10412", + "inchi": "InChI=1S/C17H27NO7/c1-10(19)17(23,16(3,4)22)15(21)24-9-12-5-7-18-8-6-13(14(12)18)25-11(2)20/h5,10,13-14,19,22-23H,6-9H2,1-4H3/t10-,13+,14+,17-/m0/s1", + "name": "Uplandicine", + "names": [ + "7-Acetyl-9-echimidinylretronecine", + "Uplandicine" + ] + }, + { + "compound_id": "C10413", + "inchi": "InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1", + "name": "Usaramine", + "names": [ + "Mucronatine", + "Usaramine" + ] + }, + { + "compound_id": "C10414", + "inchi": "InChI=1S/C16H12O4/c1-19-15-9-14-12(7-13(15)17)11(8-16(18)20-14)10-5-3-2-4-6-10/h2-9,17H,1H3", + "name": "Dalbergin", + "names": [ + "Dalbergin" + ] + }, + { + "compound_id": "C10415", + "inchi": "InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2", + "name": "(+-)-Dalbergioidin", + "names": [ + "(+-)-Dalbergioidin" + ] + }, + { + "compound_id": "C10416", + "inchi": "InChI=1S/C26H30O12/c1-26(2,35)17-4-9-3-10(12(28)6-15(9)37-17)11-8-36-24-18(20(11)31)13(29)5-14(30)19(24)25-23(34)22(33)21(32)16(7-27)38-25/h3,5-6,11,16-17,21-23,25,27-30,32-35H,4,7-8H2,1-2H3/t11?,16-,17?,21-,22+,23-,25+/m1/s1", + "name": "Dalpanin", + "names": [ + "Dalpanin" + ] + }, + { + "compound_id": "C10417", + "inchi": "InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1", + "name": "Deguelin", + "names": [ + "Deguelin" + ] + }, + { + "compound_id": "C10418", + "inchi": "InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3", + "name": "5-Deoxykievitone", + "names": [ + "(+-)-5-Deoxykievitone", + "5-Deoxykievitone" + ] + }, + { + "compound_id": "C10419", + "inchi": "InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3", + "name": "Ferreirin", + "names": [ + "2,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one", + "Ferreirin" + ] + }, + { + "compound_id": "C10420", + "inchi": "InChI=1S/C21H20O10/c22-6-13-17(27)18(28)19(29)21(31-13)15-12(25)5-11(24)14-16(26)10(7-30-20(14)15)8-1-3-9(23)4-2-8/h1-5,7,13,17-19,21-25,27-29H,6H2/t13-,17-,18+,19-,21+/m1/s1", + "name": "Genistein 8-C-glucoside", + "names": [ + "Genistein 8-C-glucoside" + ] + }, + { + "compound_id": "C10421", + "inchi": "InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1", + "name": "Glabridin", + "names": [ + "Glabridin" + ] + }, + { + "compound_id": "C10422", + "inchi": "InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1", + "name": "(-)-Glyceollin II", + "names": [ + "(-)-Glyceollin II" + ] + }, + { + "compound_id": "C10424", + "inchi": "InChI=1S/C17H14O7/c1-20-13-2-8-11(4-10(13)18)21-6-17(19)9-3-14-15(23-7-22-14)5-12(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3/t16-,17+/m0/s1", + "name": "Hildecarpin", + "names": [ + "Hildecarpin" + ] + }, + { + "compound_id": "C10425", + "inchi": "InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1", + "name": "Hispaglabridin A", + "names": [ + "Hispaglabridin A" + ] + }, + { + "compound_id": "C10426", + "inchi": "InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1", + "name": "1'-Acetoxychavicol acetate", + "names": [ + "1'-Acetoxychavicol acetate" + ] + }, + { + "compound_id": "C10427", + "inchi": "InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3/t12-/m0/s1", + "name": "1'-Acetoxyeugenol acetate", + "names": [ + "1'-Acetoxyeugenol acetate" + ] + }, + { + "compound_id": "C10428", + "inchi": "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+", + "name": "Anethole", + "names": [ + "Anethole" + ] + }, + { + "compound_id": "C10429", + "inchi": "InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3", + "name": "Apiole", + "names": [ + "Apiole" + ] + }, + { + "compound_id": "C10430", + "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-", + "name": "beta-Asarone", + "names": [ + "(Z)-1-(2,4,5-Trimethoxyphenyl)-1-propene", + "beta-Asarone", + "cis-Asarone" + ] + }, + { + "compound_id": "C10431", + "inchi": "InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1", + "name": "Caffeic acid 3-glucoside", + "names": [ + "Caffeic acid 3-glucoside" + ] + }, + { + "compound_id": "C10432", + "inchi": "InChI=1S/C16H18O8/c17-10-6-11(18)8-16(7-10,15(22)23)24-14(21)4-2-9-1-3-12(19)13(20)5-9/h1-5,10-11,17-20H,6-8H2,(H,22,23)/b4-2+/t10-,11-/m0/s1", + "name": "1-Caffeoyl-4-deoxyquinic acid", + "names": [ + "1-Caffeoyl-4-deoxyquinic acid" + ] + }, + { + "compound_id": "C10433", + "inchi": "InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+/t10-,12-,13+,14-,15+/m1/s1", + "name": "1-Caffeoyl-beta-D-glucose", + "names": [ + "1-Caffeoyl-beta-D-glucose" + ] + }, + { + "compound_id": "C10434", + "inchi": "InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1", + "name": "5-O-Caffeoylshikimic acid", + "names": [ + "5-O-Caffeoylshikimic acid" + ] + }, + { + "compound_id": "C10435", + "inchi": "InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3-6H,7H2,1-2H3/b4-3+", + "name": "Carpacin", + "names": [ + "Carpacin" + ] + }, + { + "compound_id": "C10436", + "inchi": "InChI=1S/C20H24O3/c1-22-18-13-8-16(9-14-18)20-4-2-3-19(23-20)12-7-15-5-10-17(21)11-6-15/h5-6,8-11,13-14,19-21H,2-4,7,12H2,1H3/t19-,20+/m1/s1", + "name": "Centrolobine", + "names": [ + "Centrolobine" + ] + }, + { + "compound_id": "C10437", + "inchi": "InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1", + "name": "Chicoric acid", + "names": [ + "Chicoric acid" + ] + }, + { + "compound_id": "C10438", + "inchi": "InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+", + "name": "Cinnamic acid", + "names": [ + "Benzeneacrylic acid", + "Cinnamic acid" + ] + }, + { + "compound_id": "C10439", + "inchi": "InChI=1S/C34H44O16/c1-17-30(49-23(37)12-9-18-5-3-2-4-6-18)31(50-33-27(41)24(38)21(36)15-45-33)29(43)34(47-17)46-16-22-25(39)26(40)28(42)32(48-22)44-14-13-19-7-10-20(35)11-8-19/h2-12,17,21-22,24-36,38-43H,13-16H2,1H3/b12-9+/t17-,21+,22+,24-,25+,26-,27+,28+,29+,30-,31?,32+,33?,34+/m0/s1", + "name": "4'-Cinnamoylmussatioside", + "names": [ + "4'-Cinnamoylmussatioside" + ] + }, + { + "compound_id": "C10441", + "inchi": "InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1", + "name": "4-p-Coumaroylquinic acid", + "names": [ + "4-p-Coumaroylquinic acid" + ] + }, + { + "compound_id": "C10443", + "inchi": "InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-", + "name": "Curcumin", + "names": [ + "Curcumin", + "Kacha haldi" + ] + }, + { + "compound_id": "C10444", + "inchi": "InChI=1S/C16H17NO4/c1-20-13-8-6-12(11-14(13)21-2)7-9-16(19)17-10-4-3-5-15(17)18/h3,5-9,11H,4,10H2,1-2H3/b9-7+", + "name": "3'-Demethoxypiplartine", + "names": [ + "3'-Demethoxypiplartine" + ] + }, + { + "compound_id": "C10445", + "inchi": "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1", + "name": "1,3-Dicaffeoylquinic acid", + "names": [ + "1,3-Dicaffeoylquinic acid", + "Cynarin" + ] + }, + { + "compound_id": "C10446", + "inchi": "InChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+", + "name": "Diferulic acid", + "names": [ + "Diferulic acid" + ] + }, + { + "compound_id": "C10447", + "inchi": "InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)", + "name": "3,4-Dihydroxyphenylpropanoate", + "names": [ + "3,4-Dihydroxyphenylpropanoate", + "3,4-Dihydroxyphenylpropionic acid", + "Dihydrocaffeic acid" + ] + }, + { + "compound_id": "C10448", + "inchi": "InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3", + "name": "Dihydroconiferyl alcohol", + "names": [ + "4-Hydroxy-3-methoxy-benzenepropanol", + "Dihydroconiferyl alcohol" + ] + }, + { + "compound_id": "C10449", + "inchi": "InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3", + "name": "Dillapiole", + "names": [ + "Dillapiol", + "Dillapiole" + ] + }, + { + "compound_id": "C10450", + "inchi": "InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1", + "name": "Echinacoside", + "names": [ + "Echinacoside" + ] + }, + { + "compound_id": "C10451", + "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3", + "name": "Elemicin", + "names": [ + "Elemicin" + ] + }, + { + "compound_id": "C10452", + "inchi": "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3", + "name": "Estragole", + "names": [ + "1-Methoxy-4-(2-propenyl)benzene", + "Estragole" + ] + }, + { + "compound_id": "C10453", + "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3", + "name": "Eugenol", + "names": [ + "Eugenol" + ] + }, + { + "compound_id": "C10454", + "inchi": "InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3", + "name": "Eugenol methyl ether", + "names": [ + "Eugenol methyl ether", + "O-Methyleugenol" + ] + }, + { + "compound_id": "C10455", + "inchi": "InChI=1S/C14H17NO3/c1-10(2)8-15-14(16)6-4-11-3-5-12-13(7-11)18-9-17-12/h3-7,10H,8-9H2,1-2H3,(H,15,16)/b6-4+", + "name": "Fagaramide", + "names": [ + "Fagaramide" + ] + }, + { + "compound_id": "C10456", + "inchi": "InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1", + "name": "Forsythiaside", + "names": [ + "Forsythiaside" + ] + }, + { + "compound_id": "C10457", + "inchi": "InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3", + "name": "Homoferreirin", + "names": [ + "Homoferreirin" + ] + }, + { + "compound_id": "C10458", + "inchi": "InChI=1S/C20H28O10/c1-2-3-11-4-6-12(7-5-11)29-18-16(24)15(23)14(22)13(30-18)8-27-19-17(25)20(26,9-21)10-28-19/h2,4-7,13-19,21-26H,1,3,8-10H2/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1", + "name": "Furcatin", + "names": [ + "Furcatin" + ] + }, + { + "compound_id": "C10459", + "inchi": "InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3", + "name": "Gingerdione", + "names": [ + "Gingerdione", + "[6]-Gingerdione" + ] + }, + { + "compound_id": "C10460", + "inchi": "InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+", + "name": "Gingerenone A", + "names": [ + "Gingerenone A" + ] + }, + { + "compound_id": "C10461", + "inchi": "InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3/t12-,16-/m0/s1", + "name": "4-Hydroxyhomopterocarpin", + "names": [ + "4-Hydroxyhomopterocarpin" + ] + }, + { + "compound_id": "C10462", + "inchi": "InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1", + "name": "[6]-Gingerol", + "names": [ + "(S)-(+)-[6]Gingerol", + "6-Gingerol", + "[6]-Gingerol" + ] + }, + { + "compound_id": "C10463", + "inchi": "InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15?,16+,18+,19-,20+,21?/m0/s1", + "name": "Grandidentatin", + "names": [ + "Grandidentatin" + ] + }, + { + "compound_id": "C10464", + "inchi": "InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1", + "name": "12a-Hydroxyrotenone", + "names": [ + "12a-Hydroxyrotenone" + ] + }, + { + "compound_id": "C10465", + "inchi": "InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1", + "name": "Iridin", + "names": [ + "Iridin" + ] + }, + { + "compound_id": "C10466", + "inchi": "InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18-,19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1", + "name": "Hellicoside", + "names": [ + "Hellicoside" + ] + }, + { + "compound_id": "C10467", + "inchi": "InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2", + "name": "Irilone", + "names": [ + "Irilone" + ] + }, + { + "compound_id": "C10468", + "inchi": "InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1", + "name": "Isochlorogenic acid b", + "names": [ + "Isochlorogenic acid b" + ] + }, + { + "compound_id": "C10469", + "inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+", + "name": "Isoeugenol", + "names": [ + "Isoeugenol" + ] + }, + { + "compound_id": "C10470", + "inchi": "InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+", + "name": "Isoferulic acid", + "names": [ + "Isoferulic acid" + ] + }, + { + "compound_id": "C10471", + "inchi": "InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)11-8-23-13-7-12(18)17(22-2)16(20)14(13)15(11)19/h3-8,18,20H,1-2H3", + "name": "Irisolidone", + "names": [ + "Irisolidone" + ] + }, + { + "compound_id": "C10472", + "inchi": "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+", + "name": "Isosafrole", + "names": [ + "Isosafrole" + ] + }, + { + "compound_id": "C10473", + "inchi": "InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1", + "name": "Jionoside B1", + "names": [ + "Jionoside B1" + ] + }, + { + "compound_id": "C10474", + "inchi": "InChI=1S/C21H30O10/c1-3-4-11-5-7-12(8-6-11)30-21-19(27)17(25)15(23)13(31-21)9-28-20-18(26)16(24)14(22)10(2)29-20/h3,5-8,10,13-27H,1,4,9H2,2H3/t10-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1", + "name": "Lusitanicoside", + "names": [ + "Lusitanicoside" + ] + }, + { + "compound_id": "C10475", + "inchi": "InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+", + "name": "p-Methoxycinnamaldehyde", + "names": [ + "4-Methoxycinnamaldehyde", + "p-Methoxycinnamaldehyde" + ] + }, + { + "compound_id": "C10476", + "inchi": "InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+", + "name": "p-Methoxycinnamic acid ethyl ester", + "names": [ + "Ethyl p-methoxycinnamate", + "p-Methoxycinnamic acid ethyl ester" + ] + }, + { + "compound_id": "C10477", + "inchi": "InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+", + "name": "Methyl caffeate", + "names": [ + "Methyl caffeate" + ] + }, + { + "compound_id": "C10478", + "inchi": "InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+", + "name": "Methylisoeugenol", + "names": [ + "Isomethyleugenol", + "Methylisoeugenol", + "trans-Methylisoeugenol" + ] + }, + { + "compound_id": "C10479", + "inchi": "InChI=1S/C34H44O19/c1-15-24(42)28(52-33-30(45)34(46,13-36)14-48-33)25(43)32(49-15)53-29-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)27(29)51-23(41)7-4-16-2-5-18(37)20(39)10-16/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28?,29+,30-,31+,32-,33?,34+/m0/s1", + "name": "Myricoside", + "names": [ + "Myricoside" + ] + }, + { + "compound_id": "C10480", + "inchi": "InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3", + "name": "Myristicin", + "names": [ + "Myristicin" + ] + }, + { + "compound_id": "C10481", + "inchi": "InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27+,28?,29+/m0/s1", + "name": "Orobanchoside", + "names": [ + "Crenatoside", + "Orobanchoside" + ] + }, + { + "compound_id": "C10482", + "inchi": "InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3", + "name": "6-Paradol", + "names": [ + "3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-", + "6-Paradol" + ] + }, + { + "compound_id": "C10483", + "inchi": "InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1", + "name": "Phaseolic acid", + "names": [ + "Phaseolic acid" + ] + }, + { + "compound_id": "C10484", + "inchi": "InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+", + "name": "Phenethyl caffeate", + "names": [ + "Caffeic acid phenethyl ester", + "Phenethyl caffeate" + ] + }, + { + "compound_id": "C10485", + "inchi": "InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1", + "name": "Plantamajoside", + "names": [ + "Plantamajoside" + ] + }, + { + "compound_id": "C10486", + "inchi": "InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3", + "name": "Licoisoflavone A", + "names": [ + "2',4',5,7-Tetrahydroxy-3'-(3,3-dimethylallyl)isoflavone", + "Licoisoflavone A" + ] + }, + { + "compound_id": "C10487", + "inchi": "InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+", + "name": "Prenyl caffeate", + "names": [ + "Prenyl caffeate" + ] + }, + { + "compound_id": "C10488", + "inchi": "InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1", + "name": "Purpureaside C", + "names": [ + "Purpureaside C" + ] + }, + { + "compound_id": "C10490", + "inchi": "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2", + "name": "Safrole", + "names": [ + "Safrole" + ] + }, + { + "compound_id": "C10491", + "inchi": "InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3", + "name": "Lonchocarpenin", + "names": [ + "Lonchocarpenin" + ] + }, + { + "compound_id": "C10492", + "inchi": "InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1", + "name": "Salvianolic acid A", + "names": [ + "Salvianolic acid A" + ] + }, + { + "compound_id": "C10493", + "inchi": "InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3,5-6H,1,4,7H2,2H3", + "name": "Sarisan", + "names": [ + "Sarisan" + ] + }, + { + "compound_id": "C10494", + "inchi": "InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+", + "name": "[6]-Shogaol", + "names": [ + "[6]-Shogaol" + ] + }, + { + "compound_id": "C10495", + "inchi": "InChI=1S/C17H18O5/c1-20-12-7-16(21-2)14-5-10(9-22-17(14)8-12)13-4-3-11(18)6-15(13)19/h3-4,6-8,10,18-19H,5,9H2,1-2H3", + "name": "Lotisoflavan", + "names": [ + "Lotisoflavan" + ] + }, + { + "compound_id": "C10496", + "inchi": "InChI=1S/C11H10O5/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-5,12H,6H2,(H,13,14)(H,15,16)/b8-5+", + "name": "Sphagnum acid", + "names": [ + "Sphagnum acid" + ] + }, + { + "compound_id": "C10497", + "inchi": "InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+", + "name": "Feruloylputrescine", + "names": [ + "Feruloylputrescine", + "Subaphyllin" + ] + }, + { + "compound_id": "C10498", + "inchi": "InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3", + "name": "Luteone", + "names": [ + "Luteone" + ] + }, + { + "compound_id": "C10499", + "inchi": "InChI=1S/C29H36O16/c1-12-22(36)23(37)25(39)28(43-12)42-11-20-27(45-21(35)7-3-13-2-5-15(30)17(32)8-13)24(38)26(40)29(44-20)41-10-19(34)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-34,36-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1", + "name": "Suspensaside", + "names": [ + "Suspensaside" + ] + }, + { + "compound_id": "C10500", + "inchi": "InChI=1S/C43H36O18/c44-27-9-1-23(17-31(27)48)5-13-37(52)58-35-21-43(42(56)57,61-40(55)16-8-26-4-12-30(47)34(51)20-26)22-36(59-38(53)14-6-24-2-10-28(45)32(49)18-24)41(35)60-39(54)15-7-25-3-11-29(46)33(50)19-25/h1-20,35-36,41,44-51H,21-22H2,(H,56,57)/b13-5+,14-6+,15-7+,16-8+/t35-,36-,41-,43+/m1/s1", + "name": "1,3,4,5-Tetracaffeoylquinic acid", + "names": [ + "1,3,4,5-Tetracaffeoylquinic acid" + ] + }, + { + "compound_id": "C10501", + "inchi": "InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1", + "name": "Verbascoside", + "names": [ + "Acteoside", + "Verbascoside" + ] + }, + { + "compound_id": "C10502", + "inchi": "InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1", + "name": "(-)-Maackiain", + "names": [ + "(-)-Maackiain", + "Inermin" + ] + }, + { + "compound_id": "C10503", + "inchi": "InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1", + "name": "(-)-Medicarpin", + "names": [ + "(-)-Medicarpin" + ] + }, + { + "compound_id": "C10504", + "inchi": "InChI=1S/C16H12O5/c1-20-15-8-14-12(6-13(15)18)11(7-16(19)21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", + "name": "Melannin", + "names": [ + "Melannin" + ] + }, + { + "compound_id": "C10505", + "inchi": "InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3/t12-/m1/s1", + "name": "(R)-4-Methoxydalbergione", + "names": [ + "(R)-4-Methoxydalbergione" + ] + }, + { + "compound_id": "C10506", + "inchi": "InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1", + "name": "Millettone", + "names": [ + "Millettone" + ] + }, + { + "compound_id": "C10507", + "inchi": "InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1", + "name": "Mucronulatol", + "names": [ + "Mucronulatol" + ] + }, + { + "compound_id": "C10508", + "inchi": "InChI=1S/C16H14O5/c1-19-16-12(18)5-4-9-11-7-20-13-6-8(17)2-3-10(13)14(11)21-15(9)16/h2-6,11,14,17-18H,7H2,1H3/t11-,14-/m0/s1", + "name": "(-)-Nissolin", + "names": [ + "(-)-Nissolin" + ] + }, + { + "compound_id": "C10509", + "inchi": "InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1", + "name": "Ononin", + "names": [ + "Formononetin 7-O-glucoside", + "Ononin" + ] + }, + { + "compound_id": "C10510", + "inchi": "InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H", + "name": "Orobol", + "names": [ + "Orobol" + ] + }, + { + "compound_id": "C10511", + "inchi": "InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3", + "name": "Osajin", + "names": [ + "Osajin" + ] + }, + { + "compound_id": "C10512", + "inchi": "InChI=1S/C20H14O7/c1-22-20-18-9(2-3-23-18)4-11-17(21)16-10-5-13-14(26-8-25-13)6-12(10)24-7-15(16)27-19(11)20/h2-6,15-16H,7-8H2,1H3/t15-,16+/m1/s1", + "name": "Pachyrrhizone", + "names": [ + "Pachyrrhizone" + ] + }, + { + "compound_id": "C10513", + "inchi": "InChI=1S/C27H30O15/c28-5-11-17(32)21(36)23(38)26(41-11)14-19(34)13-16(31)10(8-1-3-9(30)4-2-8)7-40-25(13)15(20(14)35)27-24(39)22(37)18(33)12(6-29)42-27/h1-4,7,11-12,17-18,21-24,26-30,32-39H,5-6H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1", + "name": "Paniculatin", + "names": [ + "Paniculatin" + ] + }, + { + "compound_id": "C10514", + "inchi": "InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1", + "name": "(-)-Phaseollin", + "names": [ + "(-)-Phaseollin", + "Phaseolin" + ] + }, + { + "compound_id": "C10515", + "inchi": "InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1", + "name": "(-)-Phaseollinisoflavan", + "names": [ + "(-)-Phaseollinisoflavan" + ] + }, + { + "compound_id": "C10516", + "inchi": "InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1", + "name": "Pisatin", + "names": [ + "Pisatin" + ] + }, + { + "compound_id": "C10517", + "inchi": "InChI=1S/C9H19O11P/c10-1-4(3-18-21(15,16)17)19-9-8(14)7(13)6(12)5(2-11)20-9/h4-14H,1-3H2,(H2,15,16,17)/t4-,5+,6+,7-,8+,9+/m0/s1", + "name": "2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate", + "names": [ + "2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate" + ] + }, + { + "compound_id": "C10518", + "inchi": "InChI=1S/C26H29NO6/c1-13(2)6-8-16-21(17(9-7-14(3)4)26(32-5)23(27)25(16)31)18-12-33-20-11-15(28)10-19(29)22(20)24(18)30/h6-7,10-12,28-29,31H,8-9,27H2,1-5H3", + "name": "Piscerythramine", + "names": [ + "Piscerythramine" + ] + }, + { + "compound_id": "C10519", + "inchi": "InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3", + "name": "Pomiferin", + "names": [ + "Pomiferin" + ] + }, + { + "compound_id": "C10520", + "inchi": "InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3", + "name": "Pratensein", + "names": [ + "Pratensein" + ] + }, + { + "compound_id": "C10521", + "inchi": "InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", + "name": "Prunetin", + "names": [ + "Prunetin" + ] + }, + { + "compound_id": "C10522", + "inchi": "InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2", + "name": "Pseudobaptigenin", + "names": [ + "Pseudobaptigenin" + ] + }, + { + "compound_id": "C10523", + "inchi": "InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3", + "name": "Psoralidin", + "names": [ + "Psoralidin" + ] + }, + { + "compound_id": "C10524", + "inchi": "InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1", + "name": "Puerarin", + "names": [ + "Puerarin" + ] + }, + { + "compound_id": "C10525", + "inchi": "InChI=1S/C23H18O7/c1-10(2)15-8-13-14(28-15)6-5-11-20(24)19-12-7-17(26-3)18(27-4)9-16(12)29-23(25)22(19)30-21(11)13/h5-7,9,15H,1,8H2,2-4H3/t15-/m1/s1", + "name": "Rotenonone", + "names": [ + "Rotenonone" + ] + }, + { + "compound_id": "C10526", + "inchi": "InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1", + "name": "(-)-Sativan", + "names": [ + "(-)-Sativan" + ] + }, + { + "compound_id": "C10527", + "inchi": "InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3", + "name": "Sayanedine", + "names": [ + "Sayanedine" + ] + }, + { + "compound_id": "C10528", + "inchi": "InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-5,10-11,13-16H,6H2,(H,17,18)(H2,19,20,21)/b9-5-/t10-,11+/m1/s1", + "name": "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate", + "names": [ + "1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate" + ] + }, + { + "compound_id": "C10529", + "inchi": "InChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3", + "name": "Sojagol", + "names": [ + "Sojagol" + ] + }, + { + "compound_id": "C10530", + "inchi": "InChI=1S/C21H22O6/c1-11(2)4-5-14-16(23)7-6-13(21(14)26-3)15-10-27-18-9-12(22)8-17(24)19(18)20(15)25/h4,6-9,15,22-24H,5,10H2,1-3H3", + "name": "Sophoraisoflavanone A", + "names": [ + "Sophoraisoflavanone A" + ] + }, + { + "compound_id": "C10531", + "inchi": "InChI=1S/C17H16O5/c1-19-15-6-11-13(7-16(15)20-2)21-8-12-10-4-3-9(18)5-14(10)22-17(11)12/h3-7,12,17-18H,8H2,1-2H3/t12-,17-/m0/s1", + "name": "(-)-Sparticarpin", + "names": [ + "(-)-Sparticarpin" + ] + }, + { + "compound_id": "C10532", + "inchi": "InChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1", + "name": "Sumatrol", + "names": [ + "Sumatrol" + ] + }, + { + "compound_id": "C10533", + "inchi": "InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1", + "name": "Tectoridin", + "names": [ + "Shekanin", + "Tectoridin" + ] + }, + { + "compound_id": "C10534", + "inchi": "InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3", + "name": "Tectorigenin", + "names": [ + "Tectorigenin" + ] + }, + { + "compound_id": "C10535", + "inchi": "InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1", + "name": "Tephrosin", + "names": [ + "Tephrosin" + ] + }, + { + "compound_id": "C10536", + "inchi": "InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3", + "name": "Texasin", + "names": [ + "6,7-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone", + "Texasin" + ] + }, + { + "compound_id": "C10537", + "inchi": "InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1", + "name": "Toxicarol", + "names": [ + "Toxicarol", + "alpha-Toxicarol" + ] + }, + { + "compound_id": "C10538", + "inchi": "InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1", + "name": "Trifolirhizin", + "names": [ + "(-)-Maackiain 3-O-glucoside", + "Trifolirhizin" + ] + }, + { + "compound_id": "C10539", + "inchi": "InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1", + "name": "(-)-Variabilin", + "names": [ + "(-)-Variabilin" + ] + }, + { + "compound_id": "C10540", + "inchi": "InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m1/s1", + "name": "Vestitol", + "names": [ + "Vestitol" + ] + }, + { + "compound_id": "C10541", + "inchi": "InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3", + "name": "Wedelolactone", + "names": [ + "Wedelolactone" + ] + }, + { + "compound_id": "C10542", + "inchi": "InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3", + "name": "Wighteone", + "names": [ + "Wighteone" + ] + }, + { + "compound_id": "C10543", + "inchi": "InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1", + "name": "Acanthoside D", + "names": [ + "(-)-Syringaresinol di-beta-D-glucoside", + "Acanthoside D" + ] + }, + { + "compound_id": "C10544", + "inchi": "InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1", + "name": "1-Acetoxypinoresinol", + "names": [ + "1-Acetoxypinoresinol" + ] + }, + { + "compound_id": "C10545", + "inchi": "InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1", + "name": "(-)-Arctigenin", + "names": [ + "(-)-Arctigenin" + ] + }, + { + "compound_id": "C10546", + "inchi": "InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1", + "name": "Austrobailignan 1", + "names": [ + "Austrobailignan 1" + ] + }, + { + "compound_id": "C10547", + "inchi": "InChI=1S/C22H26O6/c1-23-20-9-15(10-21(24-2)22(20)25-3)7-17-12-26-11-16(17)6-14-4-5-18-19(8-14)28-13-27-18/h4-5,8-10,16-17H,6-7,11-13H2,1-3H3/t16-,17-/m1/s1", + "name": "Burseran", + "names": [ + "(+)-Burseran", + "Burseran" + ] + }, + { + "compound_id": "C10548", + "inchi": "InChI=1S/C28H28O11/c1-31-18-8-14-15(9-19(18)32-2)25(39-28-24(29)26(34-4)21(33-3)11-36-28)16-10-35-27(30)23(16)22(14)13-5-6-17-20(7-13)38-12-37-17/h5-9,21,24,26,28-29H,10-12H2,1-4H3/t21-,24-,26+,28?/m1/s1", + "name": "Cleistanthin A", + "names": [ + "Cleistanthin A" + ] + }, + { + "compound_id": "C10549", + "inchi": "InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1", + "name": "Cubebin", + "names": [ + "Cubebin" + ] + }, + { + "compound_id": "C10550", + "inchi": "InChI=1S/C20H22O4/c1-5-7-13-9-15(19(21)17(11-13)23-3)16-10-14(8-6-2)12-18(24-4)20(16)22/h5-6,9-12,21-22H,1-2,7-8H2,3-4H3", + "name": "Dehydrodieugenol", + "names": [ + "Dehydrodieugenol" + ] + }, + { + "compound_id": "C10551", + "inchi": "InChI=1S/C21H20O6/c1-23-15-4-3-11(6-16(15)24-2)19-14-8-18-17(26-10-27-18)7-12(14)5-13-9-25-21(22)20(13)19/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3/t13-,19+,20-/m0/s1", + "name": "5'-Demethoxydeoxypodophyllotoxin", + "names": [ + "5'-Demethoxydeoxypodophyllotoxin" + ] + }, + { + "compound_id": "C10552", + "inchi": "InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1", + "name": "4'-Demethyldeoxypodophyllotoxin", + "names": [ + "4'-Demethyldeoxypodophyllotoxin" + ] + }, + { + "compound_id": "C10553", + "inchi": "InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1", + "name": "4'-Demethylpodophyllotoxin", + "names": [ + "4'-Demethylpodophyllotoxin" + ] + }, + { + "compound_id": "C10554", + "inchi": "InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21-/m1/s1", + "name": "Denudatin B", + "names": [ + "Denudatin B" + ] + }, + { + "compound_id": "C10555", + "inchi": "InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1", + "name": "Deoxygomisin A", + "names": [ + "(+)-gamma-Schizandrin", + "Deoxygomisin A" + ] + }, + { + "compound_id": "C10556", + "inchi": "InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1", + "name": "Deoxypodophyllotoxin", + "names": [ + "Deoxypodophyllotoxin" + ] + }, + { + "compound_id": "C10557", + "inchi": "InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1", + "name": "Dihydroanhydropodorhizol", + "names": [ + "Dihydroanhydropodorhizol" + ] + }, + { + "compound_id": "C10558", + "inchi": "InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1", + "name": "Dihydrocubebin", + "names": [ + "Dihydrocubebin" + ] + }, + { + "compound_id": "C10559", + "inchi": "InChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3", + "name": "Diphyllin", + "names": [ + "Diphyllin" + ] + }, + { + "compound_id": "C10560", + "inchi": "InChI=1S/C27H34O12/c1-33-17-6-12(4-5-16(17)29)24-14-10-37-25(15(14)11-36-24)13-7-18(34-2)26(19(8-13)35-3)39-27-23(32)22(31)21(30)20(9-28)38-27/h4-8,14-15,20-25,27-32H,9-11H2,1-3H3/t14-,15-,20+,21+,22-,23+,24+,25+,27-/m0/s1", + "name": "Eucommin A", + "names": [ + "Eucommin A", + "Medioresinol 4'-O-beta-D-glucopyranoside" + ] + }, + { + "compound_id": "C10561", + "inchi": "InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1", + "name": "(+)-Eudesmin", + "names": [ + "(+)-Eudesmin", + "Pinoresinol dimethyl ether" + ] + }, + { + "compound_id": "C10562", + "inchi": "InChI=1S/C33H44O4/c1-7-10-23-12-14-26(15-13-23)36-27-20-24(11-8-2)21-28(30(27)34)37-33(6)18-9-17-32(5)19-16-25(22-29(32)33)31(3,4)35/h7-8,12-15,20-21,25,29,34-35H,1-2,9-11,16-19,22H2,3-6H3/t25-,29-,32-,33-/m1/s1", + "name": "Eudesobovatol A", + "names": [ + "Eudesobovatol A" + ] + }, + { + "compound_id": "C10563", + "inchi": "InChI=1S/C21H24O6/c1-5-6-14-15(22)10-18(23-3)21(24-4)12(2)19(27-20(14)21)13-7-8-16-17(9-13)26-11-25-16/h5,7-10,12,14,19-20H,1,6,11H2,2-4H3/t12-,14-,19+,20+,21+/m1/s1", + "name": "Fargesone A", + "names": [ + "Fargesone A" + ] + }, + { + "compound_id": "C10564", + "inchi": "InChI=1S/C20H28N2O4/c1-14-17(22-20(21-14)7-5-6-12-26-15(2)23)10-8-16-9-11-18(24-3)19(13-16)25-4/h9,11,13H,5-8,10,12H2,1-4H3,(H,21,22)", + "name": "O-Acetylcypholophine", + "names": [ + "O-Acetylcypholophine" + ] + }, + { + "compound_id": "C10565", + "inchi": "InChI=1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3/t11-,14+,16+,17+,18+/m0/s1", + "name": "Acutumidine", + "names": [ + "Acutumidine" + ] + }, + { + "compound_id": "C10566", + "inchi": "InChI=1S/C12H19N3O/c1-9(2)10-8-14-7-6-12(3,4)13-11(14)15(10)16-5/h6-7,10H,1,8H2,2-5H3/t10-/m0/s1", + "name": "Alchorneine", + "names": [ + "Alchorneine" + ] + }, + { + "compound_id": "C10567", + "inchi": "InChI=1S/C11H17N3O/c1-7(2)8-6-14-9(15)5-11(3,4)13-10(14)12-8/h8H,1,5-6H2,2-4H3,(H,12,13)", + "name": "Alchornine", + "names": [ + "Alchornine" + ] + }, + { + "compound_id": "C10568", + "inchi": "InChI=1/C15H15N3O/c1-18-9-14(17-10-18)13-8-16-15(19)12(13)7-11-5-3-2-4-6-11/h2-7,9-10,13H,8H2,1H3,(H,16,19)/b12-7+/t13-/m1/s1/f/h16H", + "name": "Anantine", + "names": [ + "Anantine" + ] + }, + { + "compound_id": "C10569", + "inchi": "InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1", + "name": "Androcymbine", + "names": [ + "Androcymbine" + ] + }, + { + "compound_id": "C10570", + "inchi": "InChI=1S/C20H19NO4/c1-22-16-8-6-15(7-9-16)19-13-21-20(25-19)11-5-14-4-10-17(23-2)18(12-14)24-3/h4-13H,1-3H3/b11-5+", + "name": "Annuloline", + "names": [ + "Annuloline" + ] + }, + { + "compound_id": "C10571", + "inchi": "InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3", + "name": "Aspergillic acid", + "names": [ + "Aspergillic acid" + ] + }, + { + "compound_id": "C10572", + "inchi": "InChI=1S/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-11-18-17(21-16)12-6-4-3-5-7-12/h3-11H,1-2H3", + "name": "Balsoxine", + "names": [ + "2-Phenyl-5-(3,4-dimethoxyphenyl)oxazole", + "Balsoxine" + ] + }, + { + "compound_id": "C10573", + "inchi": "InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1", + "name": "Calycanthine", + "names": [ + "Calycanthine" + ] + }, + { + "compound_id": "C10574", + "inchi": "InChI=1S/C21H22O5/c1-5-6-16-12-21(24-4,20(23-3)11-17(16)22)14(2)9-15-7-8-18-19(10-15)26-13-25-18/h5,7-12H,1,6,13H2,2-4H3/b14-9+", + "name": "Futoquinol", + "names": [ + "Futoquinol" + ] + }, + { + "compound_id": "C10575", + "inchi": "InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1", + "name": "Candicine", + "names": [ + "Ammonium, (p-hydroxyphenethyl)trimethyl-", + "Candicine" + ] + }, + { + "compound_id": "C10576", + "inchi": "InChI=1S/C21H39N3O3/c1-2-3-4-11-19(25)21(27)18-10-7-9-17-16-20(26)23-14-6-5-12-22-13-8-15-24(17)18/h7,10,17-19,21-22,25,27H,2-6,8-9,11-16H2,1H3,(H,23,26)/t17-,18-,19+,21-/m0/s1", + "name": "Cannabisativine", + "names": [ + "Cannabisativine" + ] + }, + { + "compound_id": "C10577", + "inchi": "InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1", + "name": "Casimiroedine", + "names": [ + "Casimiroedine" + ] + }, + { + "compound_id": "C10578", + "inchi": "InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1", + "name": "Celabenzine", + "names": [ + "Celabenzine" + ] + }, + { + "compound_id": "C10579", + "inchi": "InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36?,38-,43+,44-,45+/m0/s1", + "name": "Cephalomannine", + "names": [ + "Cephalomannine", + "Taxol B" + ] + }, + { + "compound_id": "C10580", + "inchi": "InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1", + "name": "Cephalotaxine", + "names": [ + "Cephalotaxine" + ] + }, + { + "compound_id": "C10581", + "inchi": "InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)", + "name": "Cichorine", + "names": [ + "Cichorine" + ] + }, + { + "compound_id": "C10582", + "inchi": "InChI=1S/C26H31N3O5/c1-33-24-18-20-6-10-22(24)34-23-17-19(5-9-21(23)30)7-11-26(32)29-16-4-14-27-13-2-3-15-28-25(31)12-8-20/h5-12,17-18,27,30H,2-4,13-16H2,1H3,(H,28,31)(H,29,32)/b11-7+,12-8+", + "name": "Codonocarpine", + "names": [ + "Codonocarpine" + ] + }, + { + "compound_id": "C10583", + "inchi": "InChI=1S/C14H9NO3/c16-14-10-6-13-12(17-7-18-13)5-9(10)8-3-1-2-4-11(8)15-14/h1-6H,7H2,(H,15,16)", + "name": "Crinasiadine", + "names": [ + "Crinasiadine" + ] + }, + { + "compound_id": "C10584", + "inchi": "InChI=1S/C22H17NO4/c24-14-7-5-13(6-8-14)9-15-12-26-20-10-17-16-3-1-2-4-19(16)23-22(25)18(17)11-21(20)27-15/h1-8,10-11,15,24H,9,12H2,(H,23,25)", + "name": "Crinasiatine", + "names": [ + "Crinasiatine" + ] + }, + { + "compound_id": "C10585", + "inchi": "InChI=1S/C26H29NO5/c1-30-24-13-18-17-12-23(21-5-3-4-10-27(21)15-17)32-26(29)9-7-16-6-8-22(28)20(11-16)19(18)14-25(24)31-2/h6-9,11,13-14,17,21,23,28H,3-5,10,12,15H2,1-2H3/b9-7-/t17-,21-,23-/m1/s1", + "name": "Cryogenine", + "names": [ + "Cryogenine", + "Lythran-12-one, 4'',5''-dimethoxy-2'-hydroxy-, (10-alpha)-", + "Vertine" + ] + }, + { + "compound_id": "C10586", + "inchi": "InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1", + "name": "Cryptopleurine", + "names": [ + "Cryptopleurine" + ] + }, + { + "compound_id": "C10587", + "inchi": "InChI=1S/C16H19N3O2/c1-18-9-13(17-10-18)12-8-19(2)16(21)14(12)15(20)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,20H,8H2,1-2H3/t12-,14+,15+/m0/s1", + "name": "Cynometrine", + "names": [ + "Cynometrine" + ] + }, + { + "compound_id": "C10588", + "inchi": "InChI=1S/C10H13NO3/c1-11-9-7(10(12)14-3)5-4-6-8(9)13-2/h4-6,11H,1-3H3", + "name": "Damascenine", + "names": [ + "Damascenine" + ] + }, + { + "compound_id": "C10589", + "inchi": "InChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20-,22-/m0/s1", + "name": "Decaline", + "names": [ + "Decalin", + "Decaline" + ] + }, + { + "compound_id": "C10590", + "inchi": "InChI=1S/C17H21N3/c1-2-5-14-12(4-1)13-7-11-20-15(17(13)18-14)8-10-19-9-3-6-16(19)20/h1-2,4-5,15-16,18H,3,6-11H2/t15-,16-/m0/s1", + "name": "Elaeocarpidine", + "names": [ + "Elaeocarpidine" + ] + }, + { + "compound_id": "C10591", + "inchi": "InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13-,15-/m1/s1", + "name": "(+)-Elaeocarpine", + "names": [ + "(+)-Elaeocarpine" + ] + }, + { + "compound_id": "C10592", + "inchi": "InChI=1S/C12H21NO2/c1-2-4-10(14)12-9-5-3-7-13(9)8-6-11(12)15/h9,11-12,15H,2-8H2,1H3/t9-,11+,12+/m1/s1", + "name": "Elaeokanine C", + "names": [ + "Elaeokanine C" + ] + }, + { + "compound_id": "C10593", + "inchi": "InChI=1S/C20H22N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3-6,9-10,13-16,25-26H,7-8H2,1-2H3/t9-,10-,13+,14+,15+,16+,19-,20-/m0/s1", + "name": "Exserohilone", + "names": [ + "Exserohilone" + ] + }, + { + "compound_id": "C10594", + "inchi": "InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3", + "name": "Ficine", + "names": [ + "4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(1-methyl-2-pyrrolidinyl)-2-phenyl-, (-)-", + "Ficine" + ] + }, + { + "compound_id": "C10595", + "inchi": "InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1", + "name": "Glitoxin", + "names": [ + "Glitoxin" + ] + }, + { + "compound_id": "C10596", + "inchi": "InChI=1S/C14H10N2O2/c17-12-5-3-10(4-6-12)13-9-16-14(18-13)11-2-1-7-15-8-11/h1-9,17H", + "name": "Halfordinol", + "names": [ + "Halfordinol" + ] + }, + { + "compound_id": "C10597", + "inchi": "InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1", + "name": "Harringtonine", + "names": [ + "Harringtonine" + ] + }, + { + "compound_id": "C10598", + "inchi": "InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16-,17+,18+,19-,20+,21-/m1/s1", + "name": "Himbacine", + "names": [ + "Himbacine" + ] + }, + { + "compound_id": "C10599", + "inchi": "InChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m0/s1", + "name": "Homaline", + "names": [ + "Homaline" + ] + }, + { + "compound_id": "C10600", + "inchi": "InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)", + "name": "Ibotenic acid", + "names": [ + "Ibotenic acid" + ] + }, + { + "compound_id": "C10601", + "inchi": "InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)11-17-19(20(18)24)15(23)10-16(25-17)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22,24H,5,8-9H2,1H3", + "name": "Isoficine", + "names": [ + "4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-(1-methyl-2-pyrrolidinyl)-2-phenyl-", + "Isoficine" + ] + }, + { + "compound_id": "C10602", + "inchi": "InChI=1S/C20H17NO7/c1-8-6-11(21-20(8)27)14-12(23)7-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-5,7-8,11,22-24,26H,6H2,1H3,(H,21,27)", + "name": "Lilaline", + "names": [ + "Lilaline" + ] + }, + { + "compound_id": "C10603", + "inchi": "InChI=1S/C25H31N3O4/c29-19-8-10-25-11-9-24(31)27-14-2-1-12-26-13-3-15-28-23(30)7-5-18-4-6-21(20(25)16-18)32-22(25)17-19/h4-7,9,11,16,22,26H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)/b7-5+,11-9+/t22-,25+/m1/s1", + "name": "Lunarine", + "names": [ + "Lunarine" + ] + }, + { + "compound_id": "C10604", + "inchi": "InChI=1S/C29H37NO5/c1-19(31)35-25-11-7-21-9-13-29(33-2)27(15-21)26-14-20(8-12-28(26)32)6-10-24-16-22-4-3-5-23(17-25)30(22)18-34-24/h8-9,12-15,22-25,32H,3-7,10-11,16-18H2,1-2H3/t22-,23-,24+,25+/m1/s1", + "name": "Lythramine", + "names": [ + "Lythramine" + ] + }, + { + "compound_id": "C10605", + "inchi": "InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1", + "name": "Maculosin", + "names": [ + "Cyclo(L-Pro-L-Tyr)", + "Maculosin" + ] + }, + { + "compound_id": "C10606", + "inchi": "InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33?,34+/m1/s1", + "name": "Maytansine", + "names": [ + "Maytansine" + ] + }, + { + "compound_id": "C10607", + "inchi": "InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1", + "name": "Mycosporine", + "names": [ + "Mycosporine" + ] + }, + { + "compound_id": "C10608", + "inchi": "InChI=1S/C17H31N3O2/c1-2-16(21)15-8-5-7-14-13-17(22)19-11-4-3-9-18-10-6-12-20(14)15/h5,7,14-16,18,21H,2-4,6,8-13H2,1H3,(H,19,22)/t14-,15+,16+/m1/s1", + "name": "Palustrine", + "names": [ + "Palustrine" + ] + }, + { + "compound_id": "C10609", + "inchi": "InChI=1S/C21H21NO6/c1-22-9-3-4-13(22)16-18(25)21(27-2)19(26)17-14(24)10-15(28-20(16)17)11-5-7-12(23)8-6-11/h5-8,10,13,23,25-26H,3-4,9H2,1-2H3", + "name": "Phyllospadine", + "names": [ + "Phyllospadine" + ] + }, + { + "compound_id": "C10610", + "inchi": "InChI=1S/C16H18N2O3/c1-18-10-17-8-13(18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14+,15-/m0/s1", + "name": "Pilosine", + "names": [ + "Pilosine" + ] + }, + { + "compound_id": "C10611", + "inchi": "InChI=1S/C22H46N4O/c1-2-3-4-5-6-7-8-13-21-20-22(27)26-19-12-17-24-15-10-9-14-23-16-11-18-25-21/h21,23-25H,2-20H2,1H3,(H,26,27)", + "name": "Pithecolobine", + "names": [ + "Pithecolobine" + ] + }, + { + "compound_id": "C10612", + "inchi": "InChI=1S/C25H29N3O2/c29-24-18-22(20-9-2-1-3-10-20)26-15-6-7-17-28-23(14-16-27-24)21-11-5-4-8-19(21)12-13-25(28)30/h1-5,8-13,22-23,26H,6-7,14-18H2,(H,27,29)", + "name": "Pleurostyline", + "names": [ + "Pleurostyline" + ] + }, + { + "compound_id": "C10613", + "inchi": "InChI=1S/C17H23NO4/c1-11(2)5-8-22-15-9-13-14(16(21-4)12(15)3)10-18(6-7-19)17(13)20/h5,9,19H,6-8,10H2,1-4H3", + "name": "Porritoxin", + "names": [ + "Porritoxin" + ] + }, + { + "compound_id": "C10614", + "inchi": "InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1", + "name": "Securinine", + "names": [ + "Securinine" + ] + }, + { + "compound_id": "C10615", + "inchi": "InChI=1S/C12H13NO2/c1-13-8-4-7-12(13)10-6-3-2-5-9(10)11(14)15-12/h2-3,5-6H,4,7-8H2,1H3", + "name": "Shihunine", + "names": [ + "Shihunine" + ] + }, + { + "compound_id": "C10616", + "inchi": "InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12-,19-,20-/m1/s1", + "name": "(+)-Galbacin", + "names": [ + "(+)-Galbacin" + ] + }, + { + "compound_id": "C10617", + "inchi": "InChI=1S/C20H26N2O8S/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19-,20-/m1/s1", + "name": "Sirodesmin H", + "names": [ + "Sirodesmin H" + ] + }, + { + "compound_id": "C10618", + "inchi": "InChI=1S/C18H20ClN3O6S2/c1-16-14(24)22-13-17(26,12(23)18(22,30-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13-,16-,17-,18-/m1/s1", + "name": "Sporidesmin", + "names": [ + "Sporidesmin" + ] + }, + { + "compound_id": "C10619", + "inchi": "InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1", + "name": "Taxine A", + "names": [ + "Taxine A" + ] + }, + { + "compound_id": "C10620", + "inchi": "InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m0/s1", + "name": "(-)-Tylocrebrine", + "names": [ + "(-)-Tylocrebrine" + ] + }, + { + "compound_id": "C10621", + "inchi": "InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m0/s1", + "name": "Gomisin L1 methyl ether", + "names": [ + "(-)-gamma-Schizandrin", + "Gomisin L1 methyl ether", + "Rubschisandrin" + ] + }, + { + "compound_id": "C10622", + "inchi": "InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3/t13-,14-,21-,22-/m0/s1", + "name": "Grandisin", + "names": [ + "Grandisin" + ] + }, + { + "compound_id": "C10623", + "inchi": "InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1", + "name": "Tylophorine", + "names": [ + "Tylophorine" + ] + }, + { + "compound_id": "C10624", + "inchi": "InChI=1S/C15H20N2O/c18-15-14-8-4-5-9-17(14)11-13(16-15)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,18)/t13-,14-/m0/s1", + "name": "Verruculotoxin", + "names": [ + "Verruculotoxin" + ] + }, + { + "compound_id": "C10625", + "inchi": "InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-13-14-8-4-7-12(11)14/h1-3,5-6,9H,4,7-8H2", + "name": "Withasomnine", + "names": [ + "Withasomnine" + ] + }, + { + "compound_id": "C10626", + "inchi": "InChI=1S/C15H19NO3/c1-9(2)5-6-19-13-7-11-12(8-16-15(11)17)14(18-4)10(13)3/h5,7H,6,8H2,1-4H3,(H,16,17)", + "name": "Zinnimidine", + "names": [ + "Zinnimidine" + ] + }, + { + "compound_id": "C10627", + "inchi": "InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1", + "name": "Hinokinin", + "names": [ + "Hinokinin" + ] + }, + { + "compound_id": "C10628", + "inchi": "InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3-/t14-/m0/s1", + "name": "cis-Hinokiresinol", + "names": [ + "cis-Hinokiresinol" + ] + }, + { + "compound_id": "C10629", + "inchi": "InChI=1S/C18H17NO4/c1-18(2)7-5-10-14-12(9-13(20-3)15(10)23-18)19-17-11(6-8-22-17)16(14)21-4/h5-9H,1-4H3", + "name": "Acronidine", + "names": [ + "Acronidine" + ] + }, + { + "compound_id": "C10630", + "inchi": "InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2", + "name": "Honokiol", + "names": [ + "Honokiol" + ] + }, + { + "compound_id": "C10631", + "inchi": "InChI=1S/C15H15NO5/c1-17-9-7-10(18-2)14(20-4)12-11(9)13(19-3)8-5-6-21-15(8)16-12/h5-7H,1-4H3", + "name": "Acronycidine", + "names": [ + "Acronycidine", + "Furo(2,3-b)quinoline, 4,5,7,8-tetramethoxy-" + ] + }, + { + "compound_id": "C10632", + "inchi": "InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3", + "name": "Acronycine", + "names": [ + "Acronine", + "Acronycine" + ] + }, + { + "compound_id": "C10633", + "inchi": "InChI=1S/C22H18O7/c1-24-16-7-12-13(8-17(16)25-2)21(26-3)14-9-27-22(23)20(14)19(12)11-4-5-15-18(6-11)29-10-28-15/h4-8H,9-10H2,1-3H3", + "name": "Justicidin A", + "names": [ + "Justicidin A" + ] + }, + { + "compound_id": "C10634", + "inchi": "InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3", + "name": "Acrophylline", + "names": [ + "Acrophylline" + ] + }, + { + "compound_id": "C10635", + "inchi": "InChI=1S/C20H21N3O3/c1-22(2)15-9-5-4-8-14(15)20(25)11-12-23-18(24)13-7-6-10-16(26-3)17(13)21-19(20)23/h4-10,25H,11-12H2,1-3H3/t20-/m1/s1", + "name": "Aniflorine", + "names": [ + "Aniflorine" + ] + }, + { + "compound_id": "C10636", + "inchi": "InChI=1S/C21H16O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-8H,9-10H2,1-2H3", + "name": "Justicidin B", + "names": [ + "Justicidin B" + ] + }, + { + "compound_id": "C10637", + "inchi": "InChI=1S/C20H19N3O3/c1-2-26-20(25)14-8-4-6-10-16(14)21-17-11-12-23-18(17)22-15-9-5-3-7-13(15)19(23)24/h3-10,17,21H,2,11-12H2,1H3", + "name": "Anisessine", + "names": [ + "Anisessine" + ] + }, + { + "compound_id": "C10638", + "inchi": "InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1", + "name": "Kadsurenone", + "names": [ + "Kadsurenone" + ] + }, + { + "compound_id": "C10639", + "inchi": "InChI=1S/C20H19N3O3/c1-21-16-8-7-12(11-15(16)20(25)26-2)13-9-10-23-18(13)22-17-6-4-3-5-14(17)19(23)24/h3-8,11,13,21H,9-10H2,1-2H3", + "name": "Anisotine", + "names": [ + "Anisotine" + ] + }, + { + "compound_id": "C10640", + "inchi": "InChI=1S/C21H24O6/c1-5-6-15-10-20(23-3)13(2)19(27-21(20,24-4)11-16(15)22)14-7-8-17-18(9-14)26-12-25-17/h5,7-10,13,19H,1,6,11-12H2,2-4H3/t13-,19+,20+,21-/m1/s1", + "name": "Kadsurin A", + "names": [ + "Kadsurin A" + ] + }, + { + "compound_id": "C10641", + "inchi": "InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16+", + "name": "Aurachin D", + "names": [ + "Aurachin D" + ] + }, + { + "compound_id": "C10642", + "inchi": "InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3", + "name": "Arborine", + "names": [ + "Arborine", + "Glycosine" + ] + }, + { + "compound_id": "C10643", + "inchi": "InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3", + "name": "Arborinine", + "names": [ + "Arborinine" + ] + }, + { + "compound_id": "C10644", + "inchi": "InChI=1S/C34H30N2O9/c1-14(2)34-33(42)26-23(45-34)13-20(38)25-29(26)36(4)27-16(31(25)40)7-6-8-21(27)44-22-10-9-17-28(32(22)41)35(3)18-11-15(43-5)12-19(37)24(18)30(17)39/h6-14,33-34,37-38,41-42H,1-5H3/t33-,34+/m0/s1", + "name": "Atalanine", + "names": [ + "Atalanine" + ] + }, + { + "compound_id": "C10645", + "inchi": "InChI=1S/C23H25NO4/c1-12(2)8-10-15-20-18(23(28)16(21(15)26)11-9-13(3)4)22(27)14-6-5-7-17(25)19(14)24-20/h5-9,25-26,28H,10-11H2,1-4H3,(H,24,27)", + "name": "Atalaphylline", + "names": [ + "Atalaphylline" + ] + }, + { + "compound_id": "C10646", + "inchi": "InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1", + "name": "Lariciresinol", + "names": [ + "Lariciresinol" + ] + }, + { + "compound_id": "C10647", + "inchi": "InChI=1S/C16H19NO4/c1-16(2,19)12-8-10-14(18)9-6-5-7-11(20-4)13(9)17(3)15(10)21-12/h5-7,12,19H,8H2,1-4H3/t12-/m1/s1", + "name": "Balfourodine", + "names": [ + "Balfourodine" + ] + }, + { + "compound_id": "C10648", + "inchi": "InChI=1S/C17H22NO4/c1-17(2,19)13-9-11-15(21-5)10-7-6-8-12(20-4)14(10)18(3)16(11)22-13/h6-8,13,19H,9H2,1-5H3/q+1/t13-/m1/s1", + "name": "Balfourodinium", + "names": [ + "Balfourodinium" + ] + }, + { + "compound_id": "C10649", + "inchi": "InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+", + "name": "Bucharaine", + "names": [ + "Bucharaine" + ] + }, + { + "compound_id": "C10650", + "inchi": "InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1", + "name": "Licarin A", + "names": [ + "(+)(-)-trans-Dehydrodiisoeugenol", + "Licarin A" + ] + }, + { + "compound_id": "C10651", + "inchi": "InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2", + "name": "Magnolol", + "names": [ + "Magnolol" + ] + }, + { + "compound_id": "C10652", + "inchi": "InChI=1S/C19H25NO4/c1-11(19(4)10-9-14(21)18(2,3)24-19)15-16(22)12-7-5-6-8-13(12)20-17(15)23/h5-8,11,14,21H,9-10H2,1-4H3,(H2,20,22,23)", + "name": "Bucharidine", + "names": [ + "Bucharidine" + ] + }, + { + "compound_id": "C10653", + "inchi": "InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3", + "name": "Buntanine", + "names": [ + "Buntanine" + ] + }, + { + "compound_id": "C10654", + "inchi": "InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3", + "name": "Casimiroin", + "names": [ + "Casimiroin" + ] + }, + { + "compound_id": "C10655", + "inchi": "InChI=1S/C19H17NO3/c1-21-18-11-14(20-16-5-3-2-4-15(16)18)8-6-13-7-9-17-19(10-13)23-12-22-17/h2-5,7,9-11H,6,8,12H2,1H3", + "name": "Cusparine", + "names": [ + "Cusparine" + ] + }, + { + "compound_id": "C10656", + "inchi": "InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2", + "name": "Deoxypeganine", + "names": [ + "3-Deoxyvasicine", + "Deoxypeganine" + ] + }, + { + "compound_id": "C10657", + "inchi": "InChI=1S/C24H32O7/c1-13-23(15-9-19(27-5)21(29-7)11-17(15)25-3)14(2)31-24(13)16-10-20(28-6)22(30-8)12-18(16)26-4/h9-14,23-24H,1-8H3/t13-,14-,23-,24-/m0/s1", + "name": "Magnosalicin", + "names": [ + "Magnosalicin" + ] + }, + { + "compound_id": "C10658", + "inchi": "InChI=1S/C24H30O6/c1-13-9-15-18(26-4)12-21(29-7)24(30-8)23(15)22(14(13)2)16-10-19(27-5)20(28-6)11-17(16)25-3/h9-12,14,22H,1-8H3/t14-,22-/m0/s1", + "name": "Magnoshinin", + "names": [ + "Magnoshinin" + ] + }, + { + "compound_id": "C10659", + "inchi": "InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2", + "name": "Deoxyvasicinone", + "names": [ + "2,3-Trimethylene-4-quinazolone", + "Deoxyvasicinone" + ] + }, + { + "compound_id": "C10660", + "inchi": "InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3", + "name": "Dictamnine", + "names": [ + "Dictamnine" + ] + }, + { + "compound_id": "C10661", + "inchi": "InChI=1S/C16H11NO2/c1-2-4-13-11(3-1)5-7-14(17-13)12-6-8-15-16(9-12)19-10-18-15/h1-9H,10H2", + "name": "Dubamine", + "names": [ + "Dubamine" + ] + }, + { + "compound_id": "C10662", + "inchi": "InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3", + "name": "Dubinidine", + "names": [ + "Dubinidine" + ] + }, + { + "compound_id": "C10663", + "inchi": "InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3", + "name": "Echinopsine", + "names": [ + "Echinopsine" + ] + }, + { + "compound_id": "C10664", + "inchi": "InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3", + "name": "Acetosyringone", + "names": [ + "Acetosyringone" + ] + }, + { + "compound_id": "C10665", + "inchi": "InChI=1S/C11H12NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8H,1-2H3/q+1", + "name": "Echinorine", + "names": [ + "Echinorine", + "Quinolinium, 4-methoxy-1-methyl-" + ] + }, + { + "compound_id": "C10666", + "inchi": "InChI=1S/C20H21NO4/c1-12(2)9-10-25-16-11-15-17(19(23)20(16)24-4)18(22)13-7-5-6-8-14(13)21(15)3/h5-9,11,23H,10H2,1-4H3", + "name": "Evoprenine", + "names": [ + "Evoprenine" + ] + }, + { + "compound_id": "C10667", + "inchi": "InChI=1S/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3", + "name": "3-Acetyl-6-methoxybenzaldehyde", + "names": [ + "3-Acetyl-6-methoxybenzaldehyde" + ] + }, + { + "compound_id": "C10668", + "inchi": "InChI=1S/C15H11NO4/c1-18-15-12-10(6-11-14(15)20-7-19-11)16-9-5-3-2-4-8(9)13(12)17/h2-6H,7H2,1H3,(H,16,17)", + "name": "Evoxanthidine", + "names": [ + "Evoxanthidine" + ] + }, + { + "compound_id": "C10669", + "inchi": "InChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3", + "name": "Agrimol C", + "names": [ + "Agrimol C" + ] + }, + { + "compound_id": "C10670", + "inchi": "InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3", + "name": "Evoxine", + "names": [ + "2,3-Butanediol, 1-((4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-, (+)-", + "Evoxine" + ] + }, + { + "compound_id": "C10671", + "inchi": "InChI=1S/C26H34O8/c1-8-10-16(27)17-22(31)15(20(29)13(4)23(17)34-7)11-26(6)24(32)14(5)21(30)18(25(26)33)19(28)12(3)9-2/h12,29-32H,8-11H2,1-7H3/t12-,26+/m1/s1", + "name": "Agrimophol", + "names": [ + "Agrimophol" + ] + }, + { + "compound_id": "C10672", + "inchi": "InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-29,31-32H,7-11H2,1-6H3", + "name": "Aspidin", + "names": [ + "Aspidin" + ] + }, + { + "compound_id": "C10673", + "inchi": "InChI=1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3", + "name": "Aspidinol", + "names": [ + "Aspidinol" + ] + }, + { + "compound_id": "C10674", + "inchi": "InChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3", + "name": "Danielone", + "names": [ + "Danielone" + ] + }, + { + "compound_id": "C10675", + "inchi": "InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3", + "name": "3',4'-Dihydroxyacetophenone", + "names": [ + "3',4'-Dihydroxyacetophenone" + ] + }, + { + "compound_id": "C10676", + "inchi": "InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3", + "name": "gamma-Fagarine", + "names": [ + "Fagarine", + "gamma-Fagarine" + ] + }, + { + "compound_id": "C10677", + "inchi": "InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m0/s1", + "name": "Febrifugine", + "names": [ + "Febrifugine" + ] + }, + { + "compound_id": "C10678", + "inchi": "InChI=1S/C14H11NO5/c1-16-11-7-3-4-18-14(7)15-10-8(11)5-9-12(13(10)17-2)20-6-19-9/h3-5H,6H2,1-2H3", + "name": "Flindersiamine", + "names": [ + "Flindersiamine" + ] + }, + { + "compound_id": "C10679", + "inchi": "InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)", + "name": "Flindersine", + "names": [ + "Flindersine" + ] + }, + { + "compound_id": "C10680", + "inchi": "InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3", + "name": "2',6'-Dihydroxy-4'-methoxyacetophenone", + "names": [ + "2',6'-Dihydroxy-4'-methoxyacetophenone", + "4-O-Methylphloracetophenone" + ] + }, + { + "compound_id": "C10681", + "inchi": "InChI=1S/C16H11NO3/c1-17-11-5-3-2-4-9(11)16(19)14-12(18)8-13-10(15(14)17)6-7-20-13/h2-8,18H,1H3", + "name": "Furofoline I", + "names": [ + "Furofoline I" + ] + }, + { + "compound_id": "C10682", + "inchi": "InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1", + "name": "Matairesinol", + "names": [ + "Matairesinol" + ] + }, + { + "compound_id": "C10683", + "inchi": "InChI=1S/C20H21NO3/c1-22-18-11-9-14(12-19(18)23-2)8-10-15-13-21-17-7-5-4-6-16(17)20(15)24-3/h4-7,9,11-13H,8,10H2,1-3H3", + "name": "Galipine", + "names": [ + "Galipine" + ] + }, + { + "compound_id": "C10684", + "inchi": "InChI=1S/C10H12O4/c1-6(11)10-8(13-2)4-7(12)5-9(10)14-3/h4-5,12H,1-3H3", + "name": "2',6'-Dimethoxy-4'-hydroxyacetophenone", + "names": [ + "2',6'-Dimethoxy-4'-hydroxyacetophenone" + ] + }, + { + "compound_id": "C10685", + "inchi": "InChI=1S/C37H34N2O6/c1-18(2)14-15-21-32-30(34(42)20-11-7-9-13-24(20)39(32)5)36(44)28(35(21)43)22-17-37(3,4)45-26-16-25(40)29-31(27(22)26)38-23-12-8-6-10-19(23)33(29)41/h6-14,16,22,40,43-44H,15,17H2,1-5H3,(H,38,41)", + "name": "Glycobismine A", + "names": [ + "Glycobismine A" + ] + }, + { + "compound_id": "C10686", + "inchi": "InChI=1S/C19H21NO8/c1-8-13(21)14(22)15(23)19(27-8)28-11-5-4-9-12(17(11)25-3)20-18-10(6-7-26-18)16(9)24-2/h4-8,13-15,19,21-23H,1-3H3/t8-,13-,14+,15+,19-/m0/s1", + "name": "Glycoperine", + "names": [ + "Glycoperine" + ] + }, + { + "compound_id": "C10687", + "inchi": "InChI=1S/C16H14N2O/c1-19-16-13-9-5-6-10-14(13)17-15(18-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3", + "name": "Glycophymoline", + "names": [ + "Glycophymoline" + ] + }, + { + "compound_id": "C10688", + "inchi": "InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)", + "name": "Glycosminine", + "names": [ + "Glycosminine" + ] + }, + { + "compound_id": "C10689", + "inchi": "InChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3", + "name": "Graveoline", + "names": [ + "Graveoline" + ] + }, + { + "compound_id": "C10690", + "inchi": "InChI=1S/C22H30O6/c1-7-10-22(13-16(25-3)8-9-19(22)23)14(2)20(24)15-11-17(26-4)21(28-6)18(12-15)27-5/h7-9,11-12,14,16,20,24H,1,10,13H2,2-6H3/t14-,16+,20-,22-/m1/s1", + "name": "Megaphone", + "names": [ + "Megaphone" + ] + }, + { + "compound_id": "C10691", + "inchi": "InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1", + "name": "Haplodimerine", + "names": [ + "Haplodimerine" + ] + }, + { + "compound_id": "C10692", + "inchi": "InChI=1S/C18H23NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h7-8,10,14,20H,5-6,9H2,1-4H3/t14-,18+/m1/s1", + "name": "Haplophyllidine", + "names": [ + "Haplophyllidine" + ] + }, + { + "compound_id": "C10693", + "inchi": "InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3", + "name": "Filixic acid BBB", + "names": [ + "Filicin", + "Filixic acid BBB" + ] + }, + { + "compound_id": "C10694", + "inchi": "InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3", + "name": "Haplopine", + "names": [ + "Haplopine", + "Heliparvifoline" + ] + }, + { + "compound_id": "C10695", + "inchi": "InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1", + "name": "Humulone", + "names": [ + "Humulone" + ] + }, + { + "compound_id": "C10696", + "inchi": "InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14?,19+,20-/m0/s1", + "name": "Hydroquinidine", + "names": [ + "Hydroquinidine" + ] + }, + { + "compound_id": "C10697", + "inchi": "InChI=1S/C12H9NO2/c1-13-10-5-3-2-4-8(10)11(14)9-6-7-15-12(9)13/h2-7H,1H3", + "name": "Isodictamnine", + "names": [ + "Isodictamnine" + ] + }, + { + "compound_id": "C10698", + "inchi": "InChI=1S/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16?/m0/s1", + "name": "Isofebrifugine", + "names": [ + "Isofebrifugine" + ] + }, + { + "compound_id": "C10699", + "inchi": "InChI=1S/C18H17NO3/c1-19-15-10-9-13(21-2)11-14(15)17(20)18(22-3)16(19)12-7-5-4-6-8-12/h4-11H,1-3H3", + "name": "Japonine", + "names": [ + "Japonine" + ] + }, + { + "compound_id": "C10700", + "inchi": "InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3", + "name": "4'-Hydroxyacetophenone", + "names": [ + "(4-Hydroxyphenyl)ethan-1-one", + "4'-Hydroxyacetophenone" + ] + }, + { + "compound_id": "C10701", + "inchi": "InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3", + "name": "Kokusaginine", + "names": [ + "Furo(2,3-b)quinoline, 4,6,7-trimethoxy-", + "Kokusaginine" + ] + }, + { + "compound_id": "C10702", + "inchi": "InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3", + "name": "4'-Hydroxy-3'-prenylacetophenone", + "names": [ + "4'-Hydroxy-3'-prenylacetophenone" + ] + }, + { + "compound_id": "C10703", + "inchi": "InChI=1S/C14H17NO2/c1-4-7-12-14(17-3)13(16)10-8-5-6-9-11(10)15(12)2/h5-6,8-9H,4,7H2,1-3H3", + "name": "Leiokinine A", + "names": [ + "Leiokinine A" + ] + }, + { + "compound_id": "C10704", + "inchi": "InChI=1S/C25H32O8/c1-10(2)18(26)16-22(30)14(20(28)12(5)24(16)32-7)9-15-21(29)13(6)25(33-8)17(23(15)31)19(27)11(3)4/h10-11,28-31H,9H2,1-8H3", + "name": "alpha-Kosin", + "names": [ + "alpha-Kosin" + ] + }, + { + "compound_id": "C10705", + "inchi": "InChI=1S/C15H17NO2/c1-9-12-13(17)10-7-5-6-8-11(10)16(4)14(12)18-15(9,2)3/h5-9H,1-4H3", + "name": "Lemobiline", + "names": [ + "Lemobiline" + ] + }, + { + "compound_id": "C10706", + "inchi": "InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3", + "name": "Lupulone", + "names": [ + "Lupulone" + ] + }, + { + "compound_id": "C10707", + "inchi": "InChI=1S/C23H26O7/c1-25-18-7-12-6-13-11-30-23(24)15(13)8-17-16(14(12)9-19(18)26-2)10-20(27-3)22(29-5)21(17)28-4/h7,9-10,13,15H,6,8,11H2,1-5H3/t13-,15+/m0/s1", + "name": "Neoisostegane", + "names": [ + "Neoisostegane" + ] + }, + { + "compound_id": "C10708", + "inchi": "InChI=1S/C21H24O8/c1-8-16(24)14(10(3)22)18(26)12(20(8)28-5)7-13-19(27)15(11(4)23)17(25)9(2)21(13)29-6/h24-27H,7H2,1-6H3", + "name": "Mallotophenone", + "names": [ + "Mallotophenone" + ] + }, + { + "compound_id": "C10709", + "inchi": "InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3", + "name": "Multifidol", + "names": [ + "Multifidol" + ] + }, + { + "compound_id": "C10710", + "inchi": "InChI=1S/C17H23NO4/c1-10(2)13(19)9-12-16(22-5)11-7-6-8-14(21-4)15(11)18(3)17(12)20/h6-8,10,13,19H,9H2,1-5H3/t13-/m1/s1", + "name": "Lunacridine", + "names": [ + "Lunacridine" + ] + }, + { + "compound_id": "C10711", + "inchi": "InChI=1S/C16H19NO3/c1-9(2)13-8-11-15(18)10-6-5-7-12(19-4)14(10)17(3)16(11)20-13/h5-7,9,13H,8H2,1-4H3/t13-/m1/s1", + "name": "Lunacrine", + "names": [ + "Lunacrine" + ] + }, + { + "compound_id": "C10712", + "inchi": "InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3", + "name": "Paeonol", + "names": [ + "Paeonol" + ] + }, + { + "compound_id": "C10713", + "inchi": "InChI=1S/C18H15NO4/c1-19-14(11-3-6-17-18(7-11)23-10-22-17)9-16(20)13-5-4-12(21-2)8-15(13)19/h3-9H,10H2,1-2H3", + "name": "Lunamarine", + "names": [ + "Lunamarine" + ] + }, + { + "compound_id": "C10714", + "inchi": "InChI=1S/C13H9NO4/c1-15-12-7-2-3-16-13(7)14-9-5-11-10(4-8(9)12)17-6-18-11/h2-5H,6H2,1H3", + "name": "Maculine", + "names": [ + "1,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-", + "Maculine" + ] + }, + { + "compound_id": "C10715", + "inchi": "InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1", + "name": "Paeonolide", + "names": [ + "Paeonolide" + ] + }, + { + "compound_id": "C10716", + "inchi": "InChI=1S/C14H13NO4/c1-16-8-6-10-12(11(7-8)17-2)15-14-9(4-5-19-14)13(10)18-3/h4-7H,1-3H3", + "name": "Maculosidine", + "names": [ + "Furo(2,3-b)quinoline, 4,6,8-trimethoxy-", + "Maculosidine" + ] + }, + { + "compound_id": "C10717", + "inchi": "InChI=1S/C15H20O8/c1-7(17)9-4-3-8(21-2)5-10(9)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1", + "name": "Paeonoside", + "names": [ + "Paeonoside" + ] + }, + { + "compound_id": "C10718", + "inchi": "InChI=1S/C17H17NO6/c1-17(2,20)14(19)7-22-15-9-3-4-21-16(9)18-11-6-13-12(5-10(11)15)23-8-24-13/h3-6,14,19-20H,7-8H2,1-2H3", + "name": "Maculosine", + "names": [ + "Maculosine" + ] + }, + { + "compound_id": "C10719", + "inchi": "InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+", + "name": "Nordihydroguaiaretic acid", + "names": [ + "Nordihydroguaiaretic acid" + ] + }, + { + "compound_id": "C10720", + "inchi": "InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1", + "name": "Picein", + "names": [ + "Picein" + ] + }, + { + "compound_id": "C10721", + "inchi": "InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+", + "name": "Rottlerin", + "names": [ + "Rottlerin" + ] + }, + { + "compound_id": "C10722", + "inchi": "InChI=1S/C18H19NO5/c1-19-11-9-7-6-8-10(11)14(20)12-13(19)16(22-3)18(24-5)17(23-4)15(12)21-2/h6-9H,1-5H3", + "name": "Melicopicine", + "names": [ + "Melicopicine" + ] + }, + { + "compound_id": "C10723", + "inchi": "InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,25-26H,3,7-9H2,1-2,4-6H3/t12?,14-,20+,21+/m1/s1", + "name": "Tricyclodehydroisohumulone", + "names": [ + "Tricyclodehydroisohumulone" + ] + }, + { + "compound_id": "C10724", + "inchi": "InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3", + "name": "Melicopine", + "names": [ + "4,5-Dimethoxy-methyl-1,3-dioxolo(4,5-c)acridin-6(11H)-one", + "Melicopine" + ] + }, + { + "compound_id": "C10725", + "inchi": "InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m0/s1", + "name": "Nortrachelogenin", + "names": [ + "Nortrachelogenin" + ] + }, + { + "compound_id": "C10726", + "inchi": "InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3", + "name": "Xanthoxylin", + "names": [ + "Xanthoxylin" + ] + }, + { + "compound_id": "C10727", + "inchi": "InChI=1S/C22H21NO2/c1-14-22(25-2)21(24)20-18-11-7-6-10-16(15-8-4-3-5-9-15)17(18)12-13-19(20)23-14/h3-5,8-10,12-13H,6-7,11H2,1-2H3,(H,23,24)", + "name": "Melochinone", + "names": [ + "Melochinone" + ] + }, + { + "compound_id": "C10728", + "inchi": "InChI=1S/C20H20O4/c1-11-7-13-4-6-16-20(24-10-22-16)19(13)18(12(11)2)14-3-5-15-17(8-14)23-9-21-15/h3-6,8,11-12,18H,7,9-10H2,1-2H3/t11-,12+,18+/m0/s1", + "name": "Otobain", + "names": [ + "Otobain" + ] + }, + { + "compound_id": "C10729", + "inchi": "InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1", + "name": "alpha-Peltatin", + "names": [ + "alpha-Peltatin" + ] + }, + { + "compound_id": "C10730", + "inchi": "InChI=1S/C23H24O8/c1-25-15-6-11(7-16(26-2)21(15)28-4)18-13-8-17-22(31-10-30-17)20(27-3)14(13)5-12-9-29-23(24)19(12)18/h6-8,12,18-19H,5,9-10H2,1-4H3/t12-,18+,19-/m0/s1", + "name": "beta-Peltatin A methyl ether", + "names": [ + "beta-Peltatin A methyl ether" + ] + }, + { + "compound_id": "C10731", + "inchi": "InChI=1S/C15H15NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-9H,1-3H3", + "name": "N-Methylflindersine", + "names": [ + "5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,2,6-trimethyl-", + "N-Methylflindersine" + ] + }, + { + "compound_id": "C10732", + "inchi": "InChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1", + "name": "O-Methylptelefolonium", + "names": [ + "O-Methylptelefolonium" + ] + }, + { + "compound_id": "C10733", + "inchi": "InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m1/s1", + "name": "Peganine", + "names": [ + "Peganine", + "Vasicine" + ] + }, + { + "compound_id": "C10734", + "inchi": "InChI=1S/C16H19NO4/c1-16(2,19)12-8-10-14(20-4)9-6-5-7-11(18)13(9)17(3)15(10)21-12/h5-7,12,19H,8H2,1-4H3/p+1/t12-/m1/s1", + "name": "Pteleatine", + "names": [ + "Pteleatine" + ] + }, + { + "compound_id": "C10735", + "inchi": "InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1/t13-/m1/s1", + "name": "Ribalinium", + "names": [ + "Ribalinium" + ] + }, + { + "compound_id": "C10736", + "inchi": "InChI=1S/C12H9NO3/c1-15-11-7-3-2-4-9(14)10(7)13-12-8(11)5-6-16-12/h2-6,14H,1H3", + "name": "Robustine", + "names": [ + "Furo(2,3-b)quinolin-8-ol, 4-methoxy-", + "Robustine" + ] + }, + { + "compound_id": "C10737", + "inchi": "InChI=1S/C24H24O11/c1-12(25)35-24-9-29-22(13-4-17-18(31-10-30-17)5-15(13)26-2)14(24)8-28-23(24)34-21-7-20-19(32-11-33-20)6-16(21)27-3/h4-7,14,22-23H,8-11H2,1-3H3/t14-,22-,23+,24-/m1/s1", + "name": "Phrymarolin I", + "names": [ + "Phrymarolin I" + ] + }, + { + "compound_id": "C10738", + "inchi": "InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3", + "name": "Rutacridone", + "names": [ + "Rutacridone" + ] + }, + { + "compound_id": "C10739", + "inchi": "InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3", + "name": "Rutacridone epoxide", + "names": [ + "Rutacridone epoxide" + ] + }, + { + "compound_id": "C10740", + "inchi": "InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3", + "name": "Skimmianine", + "names": [ + "Skimmianine" + ] + }, + { + "compound_id": "C10741", + "inchi": "InChI=1S/C11H11NO3/c1-14-9-7-5-3-4-6-8(7)12-11(13)10(9)15-2/h3-6H,1-2H3,(H,12,13)", + "name": "Swietenidin B", + "names": [ + "Swietenidin B" + ] + }, + { + "compound_id": "C10742", + "inchi": "InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H", + "name": "Tryptanthrine", + "names": [ + "Tryptanthrine" + ] + }, + { + "compound_id": "C10743", + "inchi": "InChI=1S/C11H12N2O2/c14-8-1-2-9-7(5-8)6-13-4-3-10(15)11(13)12-9/h1-2,5,10,14-15H,3-4,6H2/t10-/m0/s1", + "name": "Vasicinol", + "names": [ + "Pyrrolo(2,1-b)quinazoline-3,7-diol, 1,2,3,9-tetrahydro-, (R)-", + "Vasicinol" + ] + }, + { + "compound_id": "C10744", + "inchi": "InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1", + "name": "Vasicinone", + "names": [ + "Vasicinone" + ] + }, + { + "compound_id": "C10745", + "inchi": "InChI=1S/C18H24NO5/c1-18(2,20)13-9-11-15(22-5)10-7-8-12(21-4)16(23-6)14(10)19(3)17(11)24-13/h7-8,13,20H,9H2,1-6H3/q+1/t13-/m0/s1", + "name": "Veprisinium", + "names": [ + "Veprisinium", + "Veprisinium salt" + ] + }, + { + "compound_id": "C10746", + "inchi": "InChI=1S/C24H34O6/c1-25-15-19(11-17-7-9-21(27-3)23(13-17)29-5)20(16-26-2)12-18-8-10-22(28-4)24(14-18)30-6/h7-10,13-14,19-20H,11-12,15-16H2,1-6H3/t19-,20-/m1/s1", + "name": "Phyllanthin", + "names": [ + "Phyllanthin" + ] + }, + { + "compound_id": "C10747", + "inchi": "InChI=1S/C14H20N2O/c1-2-3-13-12-6-10(8-15-13)9-16-5-4-11(17)7-14(12)16/h2,4-5,10,12-15H,1,3,6-9H2/t10?,12?,13-,14-/m1/s1", + "name": "Albine", + "names": [ + "Albine" + ] + }, + { + "compound_id": "C10748", + "inchi": "InChI=1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12?,13?,14-,15-/m1/s1", + "name": "Aloperine", + "names": [ + "Aloperine" + ] + }, + { + "compound_id": "C10749", + "inchi": "InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1", + "name": "Ammothamnine", + "names": [ + "Ammothamnine", + "Matrine N-oxide", + "Oxymatrine" + ] + }, + { + "compound_id": "C10750", + "inchi": "InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m1/s1", + "name": "Anagyrine", + "names": [ + "Anagyrine" + ] + }, + { + "compound_id": "C10751", + "inchi": "InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2/t10?,11?,12-,13+/m0/s1", + "name": "Angustifoline", + "names": [ + "Angustifoline" + ] + }, + { + "compound_id": "C10752", + "inchi": "InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11?,12?,13-,14+/m1/s1", + "name": "Aphylline", + "names": [ + "Aphylline" + ] + }, + { + "compound_id": "C10753", + "inchi": "InChI=1S/C23H26N4O3/c28-21-5-1-3-19-17-7-15(11-26(19)21)9-24(13-17)23(30)25-10-16-8-18(14-25)20-4-2-6-22(29)27(20)12-16/h1-6,15-18H,7-14H2", + "name": "Argentine", + "names": [ + "Argentine" + ] + }, + { + "compound_id": "C10754", + "inchi": "InChI=1S/C15H22N2O2/c18-14-6-3-5-12-10-8-11(15(19)17(12)14)13-4-1-2-7-16(13)9-10/h5,10-11,13-14,18H,1-4,6-9H2/t10?,11?,13-,14?/m0/s1", + "name": "Argyrolobine", + "names": [ + "Argyrolobine" + ] + }, + { + "compound_id": "C10755", + "inchi": "InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2/t10?,11?,12-,14+/m0/s1", + "name": "Baptifoline", + "names": [ + "Baptifoline" + ] + }, + { + "compound_id": "C10756", + "inchi": "InChI=1S/C15H26N2O3/c18-9-11-6-10(13-2-1-3-15(20)16-13)8-17-5-4-12(19)7-14(11)17/h10-14,18-19H,1-9H2,(H,16,20)", + "name": "Cadiamine", + "names": [ + "Cadiamine" + ] + }, + { + "compound_id": "C10757", + "inchi": "InChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13?,14?,15-,17+,18-/m0/s1", + "name": "Calpurnine", + "names": [ + "Calpurnine", + "Hoe 933" + ] + }, + { + "compound_id": "C10758", + "inchi": "InChI=1S/C14H18N2O/c17-14-5-1-3-13-10-7-11(9-16(13)14)12-4-2-6-15(12)8-10/h1,3,5,10-12H,2,4,6-9H2/t10?,11?,12-/m1/s1", + "name": "Camoensine", + "names": [ + "Camoensine" + ] + }, + { + "compound_id": "C10759", + "inchi": "InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)", + "name": "Anacardic acid", + "names": [ + "Anacardic acid" + ] + }, + { + "compound_id": "C10760", + "inchi": "InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3", + "name": "Caulophylline", + "names": [ + "Caulophylline", + "N-Methylcytisine" + ] + }, + { + "compound_id": "C10761", + "inchi": "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3", + "name": "p-Anisaldehyde", + "names": [ + "p-Anisaldehyde" + ] + }, + { + "compound_id": "C10762", + "inchi": "InChI=1S/C23H30N2O6/c1-30-22-19(26)8-13(9-20(22)27)23(29)31-16-5-6-24-11-14-7-15(18(24)10-16)12-25-17(14)3-2-4-21(25)28/h8-9,14-18,26-27H,2-7,10-12H2,1H3/t14?,15?,16-,17+,18-/m0/s1", + "name": "Cinegalline", + "names": [ + "Cinegalline" + ] + }, + { + "compound_id": "C10763", + "inchi": "InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2", + "name": "Cytisine", + "names": [ + "Cytisine" + ] + }, + { + "compound_id": "C10764", + "inchi": "InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2/t11?,12?,13-/m0/s1", + "name": "5,6-Dehydrolupanine", + "names": [ + "5,6-Dehydrolupanine" + ] + }, + { + "compound_id": "C10765", + "inchi": "InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3", + "name": "Antiarol", + "names": [ + "3,4,5-Trimethoxyphenol", + "Antiarol" + ] + }, + { + "compound_id": "C10766", + "inchi": "InChI=1S/C15H20O4/c1-5-8(2)14(18)9(3)11-6-13(17)10(4)15(19)12(11)7-16/h6-9,17,19H,5H2,1-4H3", + "name": "Ascosalitoxin", + "names": [ + "Ascosalitoxin" + ] + }, + { + "compound_id": "C10767", + "inchi": "InChI=1S/C24H32N4O2/c1-25-9-15-7-17(13-25)21-5-3-20(24(30)27(21)11-15)19-4-6-22(29)28-12-16-8-18(23(19)28)14-26(2)10-16/h3,5,15-18H,4,6-14H2,1-2H3", + "name": "Dimethamine", + "names": [ + "Dimethamine" + ] + }, + { + "compound_id": "C10768", + "inchi": "InChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17?,18+,19+,20+,21+/m0/s1", + "name": "Jamine", + "names": [ + "Jamine" + ] + }, + { + "compound_id": "C10769", + "inchi": "InChI=1S/C15H24N2O2/c18-14-7-3-8-15(19)17(14)11-12-5-4-10-16-9-2-1-6-13(12)16/h12-13H,1-11H2/t12-,13-/m1/s1", + "name": "Lamprolobine", + "names": [ + "Lamprolobine" + ] + }, + { + "compound_id": "C10770", + "inchi": "InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-", + "name": "Bilobol", + "names": [ + "5-[(8Z)-Pentadec-8-en-1-yl]benzene-1,3-diol", + "Bilobol" + ] + }, + { + "compound_id": "C10771", + "inchi": "InChI=1S/C15H26N2O/c18-12-17-10-4-2-6-15(17)13-7-8-14-5-1-3-9-16(14)11-13/h12-15H,1-11H2/t13-,14+,15-/m1/s1", + "name": "Leontiformine", + "names": [ + "Leontiformine" + ] + }, + { + "compound_id": "C10772", + "inchi": "InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11?,12?,13-,14+/m0/s1", + "name": "Lupanine", + "names": [ + "(+)-Lupanine", + "Lupanine" + ] + }, + { + "compound_id": "C10773", + "inchi": "InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1", + "name": "Lupinine", + "names": [ + "Lupinine" + ] + }, + { + "compound_id": "C10774", + "inchi": "InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1", + "name": "Matrine", + "names": [ + "Matrine" + ] + }, + { + "compound_id": "C10775", + "inchi": "InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11?,12?,14-,15+/m0/s1", + "name": "Multiflorine", + "names": [ + "Multiflorine" + ] + }, + { + "compound_id": "C10776", + "inchi": "InChI=1S/C15H24N2O2/c18-12-6-14-10-5-11(9-17(14)15(19)7-12)13-3-1-2-4-16(13)8-10/h10-14,18H,1-9H2/t10?,11?,12-,13-,14+/m0/s1", + "name": "Nuttalline", + "names": [ + "Nuttalline" + ] + }, + { + "compound_id": "C10777", + "inchi": "InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17+,18+,19+,20+/m0/s1", + "name": "(-)-Ormosanine", + "names": [ + "(-)-Ormosanine" + ] + }, + { + "compound_id": "C10778", + "inchi": "InChI=1S/C20H33N3/c1-2-9-22-13-20-12-15(16(22)6-1)11-14-5-4-10-23(19(14)20)18-8-3-7-17(20)21-18/h14-19,21H,1-13H2/t14-,15?,16+,17?,18?,19+,20+/m0/s1", + "name": "Panamine", + "names": [ + "Panamine" + ] + }, + { + "compound_id": "C10779", + "inchi": "InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17-,18+,19+,20+/m1/s1", + "name": "Piptanthine", + "names": [ + "Piptanthine" + ] + }, + { + "compound_id": "C10780", + "inchi": "InChI=1S/C15H26N2O/c18-14-5-3-7-17-9-11-8-12(15(14)17)10-16-6-2-1-4-13(11)16/h11-15,18H,1-10H2/t11?,12?,13-,14-,15-/m0/s1", + "name": "Retamine", + "names": [ + "Retamine" + ] + }, + { + "compound_id": "C10781", + "inchi": "InChI=1S/C15H20N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,4-6,12-13H,1,3,7-11H2", + "name": "Rhombifoline", + "names": [ + "(1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-one", + "Rhombifoline" + ] + }, + { + "compound_id": "C10782", + "inchi": "InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15-/m0/s1", + "name": "Sophoramine", + "names": [ + "Sophoramine" + ] + }, + { + "compound_id": "C10783", + "inchi": "InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15+", + "name": "(-)-Sparteine", + "names": [ + "(-)-Sparteine", + "Sparteine" + ] + }, + { + "compound_id": "C10784", + "inchi": "InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1", + "name": "Cannabidiolic acid", + "names": [ + "Cannabidiolic acid" + ] + }, + { + "compound_id": "C10785", + "inchi": "InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7-", + "name": "(15:1)-Cardanol", + "names": [ + "(15:1)-Cardanol", + "3-[(Z)-8-Pentadecenyl]phenol" + ] + }, + { + "compound_id": "C10786", + "inchi": "InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17-,18+,19-,20+/m1/s1", + "name": "Templetine", + "names": [ + "Templetine" + ] + }, + { + "compound_id": "C10787", + "inchi": "InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3", + "name": "2,6-Dimethoxyphenol", + "names": [ + "2,6-Dimethoxyphenol", + "Pyrogallol 1,3-dimethyl ether" + ] + }, + { + "compound_id": "C10788", + "inchi": "InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H", + "name": "Ellagic acid", + "names": [ + "Ellagic acid" + ] + }, + { + "compound_id": "C10789", + "inchi": "InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m0/s1", + "name": "Thermospine", + "names": [ + "(-)-Thermopsine", + "Thermospine" + ] + }, + { + "compound_id": "C10790", + "inchi": "InChI=1S/C15H20N2O/c1-3-5-13-12-8-11(9-16(13)2)14-6-4-7-15(18)17(14)10-12/h3-4,6-7,11-13H,1,5,8-10H2,2H3/t11?,12?,13-/m1/s1", + "name": "Tinctorine", + "names": [ + "Tinctorine" + ] + }, + { + "compound_id": "C10791", + "inchi": "InChI=1S/C15H20N2O/c1-2-4-13-15-6-3-5-14(18)17(15)9-11-7-12(15)10-16(13)8-11/h2-3,6,11-13H,1,4-5,7-10H2/t11-,12+,13+,15+/m0/s1", + "name": "Tsukushinamine A", + "names": [ + "Tsukushinamine A" + ] + }, + { + "compound_id": "C10792", + "inchi": "InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2", + "name": "Gentisyl alcohol", + "names": [ + "2,5-Dihydroxybenzyl alcohol", + "Gentisyl alcohol" + ] + }, + { + "compound_id": "C10793", + "inchi": "InChI=1S/C16H22O2/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,17-18H,4,6,8H2,1-3H3/b13-7+", + "name": "Geranylhydroquinone", + "names": [ + "Geranylhydroquinone" + ] + }, + { + "compound_id": "C10794", + "inchi": "InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-", + "name": "Ginkgoic acid", + "names": [ + "Ginkgoic acid", + "Ginkgolic acid" + ] + }, + { + "compound_id": "C10795", + "inchi": "InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1", + "name": "Buxamine E", + "names": [ + "Buxamine E" + ] + }, + { + "compound_id": "C10796", + "inchi": "InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39?,40?,41?,42?,43+,44-,45-/m0/s1", + "name": "alpha-Chaconine", + "names": [ + "alpha-Chaconine" + ] + }, + { + "compound_id": "C10797", + "inchi": "InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1", + "name": "Cyclobuxine D", + "names": [ + "Cyclobuxine", + "Cyclobuxine D" + ] + }, + { + "compound_id": "C10798", + "inchi": "InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1", + "name": "Cyclopamine", + "names": [ + "Cyclopamine" + ] + }, + { + "compound_id": "C10799", + "inchi": "InChI=1S/C27H48N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1", + "name": "Cycloprotobuxine C", + "names": [ + "Cycloprotobuxine C" + ] + }, + { + "compound_id": "C10800", + "inchi": "InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3", + "name": "Grevillol", + "names": [ + "Grevillol" + ] + }, + { + "compound_id": "C10801", + "inchi": "InChI=1S/C27H48N2O/c1-17(29(7)8)22-18(30)15-25(5)20-10-9-19-23(2,3)21(28-6)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28,30H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1", + "name": "Cyclovirobuxine C", + "names": [ + "Cyclovirobuxine C" + ] + }, + { + "compound_id": "C10802", + "inchi": "InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3/b6-5-", + "name": "5-(Heptadec-12-enyl)resorcinol", + "names": [ + "5-(Heptadec-12-enyl)resorcinol" + ] + }, + { + "compound_id": "C10803", + "inchi": "InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3/t20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43-,44?,45-,46+,47?,48-,49-,50-/m0/s1", + "name": "Demissine", + "names": [ + "Demissine" + ] + }, + { + "compound_id": "C10804", + "inchi": "InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)", + "name": "2-(Hydroxymethyl)benzoic acid", + "names": [ + "2-(Hydroxymethyl)benzoic acid", + "2-Hydroxymethylbenzoic acid" + ] + }, + { + "compound_id": "C10805", + "inchi": "InChI=1S/C27H34O16/c1-38-24-14(41-27-23(36)21(34)19(32)16(9-29)43-27)7-6-12(30)17(24)25(37)39-10-11-4-2-3-5-13(11)40-26-22(35)20(33)18(31)15(8-28)42-26/h2-7,15-16,18-23,26-36H,8-10H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,26-,27-/m1/s1", + "name": "Leiocarposide", + "names": [ + "Leiocarposide" + ] + }, + { + "compound_id": "C10806", + "inchi": "InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "Funtumine", + "names": [ + "Funtumine" + ] + }, + { + "compound_id": "C10807", + "inchi": "InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1", + "name": "Germine", + "names": [ + "Germine" + ] + }, + { + "compound_id": "C10808", + "inchi": "InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1", + "name": "Imperialine", + "names": [ + "Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)-", + "Imperialine", + "Kashmirine", + "Peiminine" + ] + }, + { + "compound_id": "C10809", + "inchi": "InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3", + "name": "5-Pentadecylresorcinol", + "names": [ + "5-Pentadecylresorcinol", + "Cardol" + ] + }, + { + "compound_id": "C10810", + "inchi": "InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17-,18-,19+,20-,21-,22-,23+/m0/s1", + "name": "Irehine", + "names": [ + "Irehine" + ] + }, + { + "compound_id": "C10811", + "inchi": "InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1", + "name": "Jervine", + "names": [ + "Jervine" + ] + }, + { + "compound_id": "C10812", + "inchi": "InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2", + "name": "Piperonal", + "names": [ + "Piperonal" + ] + }, + { + "compound_id": "C10813", + "inchi": "InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1", + "name": "Kurchessine", + "names": [ + "Kurchessine" + ] + }, + { + "compound_id": "C10814", + "inchi": "InChI=1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3/t13-,15-,16+,17+,18-,19-,21-,22-/m0/s1", + "name": "Paravallarine", + "names": [ + "Paravallarine" + ] + }, + { + "compound_id": "C10815", + "inchi": "InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1", + "name": "Protoveratrine A", + "names": [ + "Protoveratrine A" + ] + }, + { + "compound_id": "C10816", + "inchi": "InChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1", + "name": "Protoveratrine B", + "names": [ + "Protoveratrine B" + ] + }, + { + "compound_id": "C10817", + "inchi": "InChI=1S/C27H43NO9/c1-11-4-5-14-24(3,34)16-12(10-28(14)9-11)13-8-25-21(26(13,35)22(33)17(16)30)19(32)18(31)20-23(25,2)7-6-15(29)27(20,36)37-25/h11-22,29-36H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1", + "name": "Protoverine", + "names": [ + "Protoverine" + ] + }, + { + "compound_id": "C10818", + "inchi": "InChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1", + "name": "Solacapine", + "names": [ + "Solacapine" + ] + }, + { + "compound_id": "C10819", + "inchi": "InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38?,39?,40?,41?,42-,43+,44+,45-/m1/s1", + "name": "Solamargine", + "names": [ + "Solamargine" + ] + }, + { + "compound_id": "C10820", + "inchi": "InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40?,41?,42-,43+,44-,45-/m0/s1", + "name": "Solanine", + "names": [ + "Solanine" + ] + }, + { + "compound_id": "C10821", + "inchi": "InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1", + "name": "Solanocapsine", + "names": [ + "Solanocapsine" + ] + }, + { + "compound_id": "C10822", + "inchi": "InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1", + "name": "Solasodine", + "names": [ + "Solasodine" + ] + }, + { + "compound_id": "C10823", + "inchi": "InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1", + "name": "Populin", + "names": [ + "Populin" + ] + }, + { + "compound_id": "C10824", + "inchi": "InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39?,40?,41+,42-,43+,44+,45-/m1/s1", + "name": "Solasonine", + "names": [ + "Solasonine" + ] + }, + { + "compound_id": "C10825", + "inchi": "InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1", + "name": "Terminaline", + "names": [ + "Terminaline" + ] + }, + { + "compound_id": "C10826", + "inchi": "InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1", + "name": "Tomatidine", + "names": [ + "Tomatidine" + ] + }, + { + "compound_id": "C10827", + "inchi": "InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43?,44-,45+,46?,47-,48-,49-,50-/m0/s1", + "name": "Tomatine", + "names": [ + "Tomatine" + ] + }, + { + "compound_id": "C10828", + "inchi": "InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1", + "name": "Veracevine", + "names": [ + "Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-", + "Veracevine" + ] + }, + { + "compound_id": "C10829", + "inchi": "InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1", + "name": "Veratramine", + "names": [ + "Veratramine" + ] + }, + { + "compound_id": "C10830", + "inchi": "InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1", + "name": "Peimine", + "names": [ + "Peimine", + "Verticine" + ] + }, + { + "compound_id": "C10831", + "inchi": "InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1", + "name": "Zygadenine", + "names": [ + "Zygadenine" + ] + }, + { + "compound_id": "C10832", + "inchi": "InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2", + "name": "Sesamol", + "names": [ + "Sesamol" + ] + }, + { + "compound_id": "C10833", + "inchi": "InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)", + "name": "Syringic acid", + "names": [ + "4-Hydroxy-3,5-dimethoxybenzoate", + "Gallic acid 3,5-dimethyl ether", + "Syringate", + "Syringic acid" + ] + }, + { + "compound_id": "C10834", + "inchi": "InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1", + "name": "Theogallin", + "names": [ + "Theogallin" + ] + }, + { + "compound_id": "C10835", + "inchi": "InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-7-6-12(22)8-13(14)19(26)27-10-11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1", + "name": "Trichocarpin", + "names": [ + "Trichocarpin" + ] + }, + { + "compound_id": "C10836", + "inchi": "InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3", + "name": "3,4,3'-Tri-O-methylellagic acid", + "names": [ + "3,4,3'-Tri-O-methylellagic acid" + ] + }, + { + "compound_id": "C10837", + "inchi": "InChI=1S/C13H16O13S/c14-5-1-4(12(19)20)2-6(15)11(5)26-13-10(18)9(17)8(16)7(25-13)3-24-27(21,22)23/h1-2,7-10,13-18H,3H2,(H,19,20)(H,21,22,23)/p-1/t7-,8-,9+,10-,13+/m1/s1", + "name": "Turgorin", + "names": [ + "Turgorin" + ] + }, + { + "compound_id": "C10838", + "inchi": "InChI=1S/C21H30O3/c1-16(2)6-4-8-18(15-22)9-5-7-17(3)10-11-19-14-20(23)12-13-21(19)24/h6,9-10,12-14,22-24H,4-5,7-8,11,15H2,1-3H3/b17-10+,18-9-", + "name": "Turricolol E", + "names": [ + "Turricolol E" + ] + }, + { + "compound_id": "C10839", + "inchi": "InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4+,8-7+", + "name": "Urushiol III", + "names": [ + "3-(8,11-Pentadecadienyl)-1,2-benzenediol", + "Urushiol III" + ] + }, + { + "compound_id": "C10840", + "inchi": "InChI=1S/C15H22O4/c1-10(2)5-6-19-14-7-12(8-16)13(9-17)15(18-4)11(14)3/h5,7,16-17H,6,8-9H2,1-4H3", + "name": "Zinniol", + "names": [ + "Zinniol" + ] + }, + { + "compound_id": "C10841", + "inchi": "InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3", + "name": "Anatoxin a", + "names": [ + "Anatoxin a", + "Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-, (1R)-" + ] + }, + { + "compound_id": "C10842", + "inchi": "InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12?,13-,14-,15?,16?/m0/s1", + "name": "Anisodamine", + "names": [ + "6-Hydroxyhyoscyamine", + "Anisodamine" + ] + }, + { + "compound_id": "C10843", + "inchi": "InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3", + "name": "Apoatropine", + "names": [ + "Apoatropine" + ] + }, + { + "compound_id": "C10844", + "inchi": "InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13?,14?,15-,16+", + "name": "Apohyoscine", + "names": [ + "1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)", + "Apohyoscine" + ] + }, + { + "compound_id": "C10845", + "inchi": "InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23?,24?,25?,26?,27?,28?,30-,34-/m0/s1", + "name": "Belladonnine", + "names": [ + "Belladonnine" + ] + }, + { + "compound_id": "C10846", + "inchi": "InChI=1S/C12H15NO2/c1-7-6-15-10-5-8-3-4-9(13(8)2)11(10)12(7)14/h6,8-9H,3-5H2,1-2H3", + "name": "Bellendine", + "names": [ + "Bellendine" + ] + }, + { + "compound_id": "C10847", + "inchi": "InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1", + "name": "Benzoylecgonine", + "names": [ + "Benzoylecgonine" + ] + }, + { + "compound_id": "C10848", + "inchi": "InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3", + "name": "Tropacocaine", + "names": [ + "Tropacocaine" + ] + }, + { + "compound_id": "C10849", + "inchi": "InChI=1S/C12H19NO2S2/c1-13-8-2-3-9(13)7-10(6-8)15-12(14)11-4-5-16-17-11/h8-11H,2-7H2,1H3/t8?,9?,10?,11-/m0/s1", + "name": "Brugine", + "names": [ + "Brugine" + ] + }, + { + "compound_id": "C10850", + "inchi": "InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4?,5-,6-,7?/m1/s1", + "name": "Calystegin A3", + "names": [ + "Calystegin A3", + "Calystegine A3" + ] + }, + { + "compound_id": "C10851", + "inchi": "InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3?,4-,5+,6+,7?/m0/s1", + "name": "Calystegin B2", + "names": [ + "Calystegin B2", + "Calystegine B2" + ] + }, + { + "compound_id": "C10852", + "inchi": "InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14?,15?,16-,18+/m0/s1", + "name": "Cinnamoylcocaine", + "names": [ + "Cinnamoylcocaine" + ] + }, + { + "compound_id": "C10853", + "inchi": "InChI=1S/C15H19NO3/c1-16-11-5-6-12(16)9-14(8-11)19-15(18)10-3-2-4-13(17)7-10/h2-4,7,11-12,14,17H,5-6,8-9H2,1H3", + "name": "Cochlearine", + "names": [ + "Cochlearine" + ] + }, + { + "compound_id": "C10854", + "inchi": "InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3", + "name": "Convolamine", + "names": [ + "Convolamine" + ] + }, + { + "compound_id": "C10855", + "inchi": "InChI=1S/C16H21NO5/c1-20-14-6-3-10(7-15(14)21-2)16(18)22-13-8-11-4-5-12(9-13)17(11)19/h3,6-7,11-13,19H,4-5,8-9H2,1-2H3", + "name": "Convoline", + "names": [ + "Convoline" + ] + }, + { + "compound_id": "C10856", + "inchi": "InChI=1S/C16H21NO4/c1-19-14-6-3-10(7-15(14)20-2)16(18)21-13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3", + "name": "Convolvine", + "names": [ + "Convolvine" + ] + }, + { + "compound_id": "C10857", + "inchi": "InChI=1S/C13H17NO2/c1-7-8(2)16-11-6-9-4-5-10(14(9)3)12(11)13(7)15/h9-10H,4-6H2,1-3H3", + "name": "Darlingine", + "names": [ + "Darlingine" + ] + }, + { + "compound_id": "C10858", + "inchi": "InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1", + "name": "Ecgonine", + "names": [ + "Ecgonine" + ] + }, + { + "compound_id": "C10859", + "inchi": "InChI=1S/C17H23NO3/c1-11(19)21-15-10-13-8-9-14(18(13)2)16(15)17(20)12-6-4-3-5-7-12/h3-7,13-17,20H,8-10H2,1-2H3/t13?,14-,15-,16+,17+/m1/s1", + "name": "Knightinol", + "names": [ + "Knightinol" + ] + }, + { + "compound_id": "C10860", + "inchi": "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13?,14?,15?,16-/m1/s1", + "name": "Littorine", + "names": [ + "Littorine" + ] + }, + { + "compound_id": "C10861", + "inchi": "InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8-,9?,10?,11-,12+", + "name": "Meteloidine", + "names": [ + "Meteloidine" + ] + }, + { + "compound_id": "C10862", + "inchi": "InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12?,13?,14?,15-/m1/s1", + "name": "Norhyoscyamine", + "names": [ + "Norhyoscyamine" + ] + }, + { + "compound_id": "C10863", + "inchi": "InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3", + "name": "Phyllalbine", + "names": [ + "Phyllalbine" + ] + }, + { + "compound_id": "C10864", + "inchi": "InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3", + "name": "Physoperuvine", + "names": [ + "Physoperuvine" + ] + }, + { + "compound_id": "C10865", + "inchi": "InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3", + "name": "Pseudopelletierine", + "names": [ + "Pseudopelletierine" + ] + }, + { + "compound_id": "C10866", + "inchi": "InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4?,5?,6?,7-,8?/m0/s1", + "name": "Scopoline", + "names": [ + "Scopoline" + ] + }, + { + "compound_id": "C10867", + "inchi": "InChI=1S/C17H19NO2/c1-18-12-7-8-13(18)17-14(19)10-15(20-16(17)9-12)11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12?,13?,15-/m0/s1", + "name": "Strobamine", + "names": [ + "Cyclohepta(6)pyran-5,8-imin-4(5H)-one, 2,3,6,7,8,9-hexahydro-10-methyl-2-phenyl-,(2alpha,5beta,8beta)-(+)-", + "Strobamine" + ] + }, + { + "compound_id": "C10868", + "inchi": "InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+", + "name": "Tigloidine", + "names": [ + "Tigloidine" + ] + }, + { + "compound_id": "C10869", + "inchi": "InChI=1S/C13H23NO3/c1-8(2)4-13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h8-12,15H,4-7H2,1-3H3/t9?,10-,11?,12-/m1/s1", + "name": "Valeroidine", + "names": [ + "Valeroidine" + ] + }, + { + "compound_id": "C10870", + "inchi": "InChI=1S/C29H30O13/c1-13(31)38-11-16-6-15-8-19(36-2)20(37-3)9-17(15)23(14-4-5-18-21(7-14)40-12-39-18)24(16)28(35)42-29-27(34)26(33)25(32)22(10-30)41-29/h4-9,22,25-27,29-30,32-34H,10-12H2,1-3H3/t22-,25-,26+,27-,29+/m1/s1", + "name": "Phyllanthostatin A", + "names": [ + "Phyllanthostatin A" + ] + }, + { + "compound_id": "C10871", + "inchi": "InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19-,20+/m1/s1", + "name": "Picropodophyllin", + "names": [ + "Picropodophyllin" + ] + }, + { + "compound_id": "C10873", + "inchi": "InChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1", + "name": "Plicatic acid", + "names": [ + "Plicatic acid" + ] + }, + { + "compound_id": "C10874", + "inchi": "InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1", + "name": "Podophyllotoxin", + "names": [ + "Podophyllotoxin" + ] + }, + { + "compound_id": "C10875", + "inchi": "InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1", + "name": "Podophyllotoxone", + "names": [ + "Podophyllotoxone" + ] + }, + { + "compound_id": "C10876", + "inchi": "InChI=1S/C28H34O13/c1-34-18-8-14(9-19(35-2)26(18)36-3)25(41-28-24(32)23(31)22(30)20(10-29)40-28)21-15(11-37-27(21)33)6-13-4-5-16-17(7-13)39-12-38-16/h4-5,7-9,15,20-25,28-32H,6,10-12H2,1-3H3/t15-,20+,21-,22+,23-,24+,25+,28-/m0/s1", + "name": "Podorhizol beta-D-glucoside", + "names": [ + "Podorhizol beta-D-glucoside" + ] + }, + { + "compound_id": "C10877", + "inchi": "InChI=1S/C21H14O8/c1-24-19-10-2-11-13(6-25-21(11)23)18(9(10)3-17-20(19)29-8-28-17)12-4-15-16(5-14(12)22)27-7-26-15/h2-5,22H,6-8H2,1H3", + "name": "Prostalidin A", + "names": [ + "Prostalidin A" + ] + }, + { + "compound_id": "C10878", + "inchi": "InChI=1S/C18H18O3/c1-2-4-13-6-8-17(20)15(11-13)16-12-14(5-3-10-19)7-9-18(16)21/h2-3,5-9,11-12,19-21H,1,4,10H2/b5-3+", + "name": "Randainol", + "names": [ + "Randainol" + ] + }, + { + "compound_id": "C10879", + "inchi": "InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21+,22+/m0/s1", + "name": "Saucernetin", + "names": [ + "Saucernetin" + ] + }, + { + "compound_id": "C10880", + "inchi": "InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1", + "name": "Savinin", + "names": [ + "Savinin" + ] + }, + { + "compound_id": "C10881", + "inchi": "InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1", + "name": "Schisantherin A", + "names": [ + "Schisantherin A" + ] + }, + { + "compound_id": "C10882", + "inchi": "InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1", + "name": "Sesamin", + "names": [ + "Sesamin" + ] + }, + { + "compound_id": "C10883", + "inchi": "InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1", + "name": "Sesamolinol", + "names": [ + "Sesamolinol" + ] + }, + { + "compound_id": "C10884", + "inchi": "InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1", + "name": "Sesartemin", + "names": [ + "Sesartemin" + ] + }, + { + "compound_id": "C10885", + "inchi": "InChI=1S/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1", + "name": "Simplexoside", + "names": [ + "Simplexoside" + ] + }, + { + "compound_id": "C10886", + "inchi": "InChI=1S/C24H24O9/c1-11(25)33-21-14-8-18-17(31-10-32-18)7-13(14)20-12(5-15-16(21)9-30-24(15)26)6-19(27-2)22(28-3)23(20)29-4/h6-8,15-16,21H,5,9-10H2,1-4H3/t15-,16+,21+/m1/s1", + "name": "Steganacin", + "names": [ + "(-)-Steganacin", + "Steganacin" + ] + }, + { + "compound_id": "C10887", + "inchi": "InChI=1S/C20H18O7/c1-23-15-6-11(2-4-13(15)21)19-17-12(8-24-19)18(27-20(17)22)10-3-5-14-16(7-10)26-9-25-14/h2-7,12,17-19,21H,8-9H2,1H3/t12-,17-,18+,19+/m1/s1", + "name": "Styraxin", + "names": [ + "Styraxin" + ] + }, + { + "compound_id": "C10888", + "inchi": "InChI=1S/C22H28O6/c1-7-8-15-9-10-17(18(11-15)24-3)28-14(2)21(23)16-12-19(25-4)22(27-6)20(13-16)26-5/h7-14,21,23H,1-6H3/b8-7+/t14-,21+/m1/s1", + "name": "Surinamensin", + "names": [ + "Surinamensin" + ] + }, + { + "compound_id": "C10889", + "inchi": "InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1", + "name": "(+)-Syringaresinol", + "names": [ + "(+)-Syringaresinol" + ] + }, + { + "compound_id": "C10890", + "inchi": "InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1", + "name": "(+)-Syringaresinol O-beta-D-glucoside", + "names": [ + "(+)-Syringaresinol O-beta-D-glucoside", + "Acanthoside B" + ] + }, + { + "compound_id": "C10891", + "inchi": "InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1", + "name": "Trachelogenin", + "names": [ + "(-)-Trachelogenin", + "Trachelogenin" + ] + }, + { + "compound_id": "C10892", + "inchi": "InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1", + "name": "(+)-Veraguensin", + "names": [ + "(+)-Veraguensin" + ] + }, + { + "compound_id": "C10893", + "inchi": "InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+", + "name": "Schizandrin C", + "names": [ + "Schizandrin C", + "Wuweizisu C" + ] + }, + { + "compound_id": "C10894", + "inchi": "InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1", + "name": "Yangambin", + "names": [ + "Lirioresinol-B dimethyl ether", + "Yangambin" + ] + }, + { + "compound_id": "C10895", + "inchi": "InChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2", + "name": "Azafenidin", + "names": [ + "Azafenidin" + ] + }, + { + "compound_id": "C10896", + "inchi": "InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)", + "name": "Benomyl", + "names": [ + "Benlate", + "Benomyl" + ] + }, + { + "compound_id": "C10897", + "inchi": "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)", + "name": "Carbendazim", + "names": [ + "Carbendazim", + "Mecarzole" + ] + }, + { + "compound_id": "C10898", + "inchi": "InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)", + "name": "2-Benzimidazolylguanidine", + "names": [ + "2-Benzimidazolylguanidine" + ] + }, + { + "compound_id": "C10899", + "inchi": "InChI=1S/C3H6N2O3/c1-8-3(7)5-2(4)6/h1H3,(H3,4,5,6,7)", + "name": "Allophanic acid, methyl ester", + "names": [ + "Allophanic acid, methyl ester" + ] + }, + { + "compound_id": "C10900", + "inchi": "InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3", + "name": "Methyl oxalate", + "names": [ + "Methyl oxalate" + ] + }, + { + "compound_id": "C10901", + "inchi": "InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)", + "name": "2-Aminobenzimidazole", + "names": [ + "2-Aminobenzimidazole" + ] + }, + { + "compound_id": "C10902", + "inchi": "InChI=1S/C9H9N3O3/c1-15-9(14)12-8-10-6-3-2-5(13)4-7(6)11-8/h2-4,13H,1H3,(H2,10,11,12,14)", + "name": "Methyl 5-hydroxy-2-benzimidazole carbamate", + "names": [ + "Methyl 5-hydroxy-2-benzimidazole carbamate" + ] + }, + { + "compound_id": "C10903", + "inchi": "InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1", + "name": "Cinmethylin", + "names": [ + "Cinmethylin" + ] + }, + { + "compound_id": "C10904", + "inchi": "InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17+,20-/m0/s1", + "name": "Cabucine", + "names": [ + "Cabucine" + ] + }, + { + "compound_id": "C10905", + "inchi": null, + "name": "Activated methyl group", + "names": [ + "Activated methyl group" + ] + }, + { + "compound_id": "C10906", + "inchi": "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1", + "name": "D-Fructose", + "names": [ + "D-Fructose" + ] + }, + { + "compound_id": "C10907", + "inchi": "InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3", + "name": "Cloransulam-methyl", + "names": [ + "Cloransulam-methyl" + ] + }, + { + "compound_id": "C10908", + "inchi": "InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3/b18-14-", + "name": "Fluthiacet-methyl", + "names": [ + "Fluthiacet-methyl" + ] + }, + { + "compound_id": "C10909", + "inchi": "InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)", + "name": "Methabenzthiazuron", + "names": [ + "Methabenzthiazuron" + ] + }, + { + "compound_id": "C10910", + "inchi": "InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3", + "name": "2-Methylthiobenzothiazole", + "names": [ + "2-Methylthiobenzothiazole" + ] + }, + { + "compound_id": "C10911", + "inchi": "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)", + "name": "Bromacil", + "names": [ + "Bromacil" + ] + }, + { + "compound_id": "C10912", + "inchi": "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14-", + "name": "Buprofezin", + "names": [ + "Buprofezin" + ] + }, + { + "compound_id": "C10913", + "inchi": "InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3/b18-14+", + "name": "Cycloxydim", + "names": [ + "Cycloxydim" + ] + }, + { + "compound_id": "C10914", + "inchi": "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)", + "name": "Cyprodinil", + "names": [ + "Cyprodinil" + ] + }, + { + "compound_id": "C10915", + "inchi": "InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)", + "name": "Bispyribac", + "names": [ + "Bispyribac" + ] + }, + { + "compound_id": "C10916", + "inchi": "InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)", + "name": "2-Dimethylamino-5,6-dimethylpyrimidin-4-ol", + "names": [ + "2-Dimethylamino-5,6-dimethylpyrimidin-4-ol" + ] + }, + { + "compound_id": "C10917", + "inchi": "InChI=1S/C5H11NS5/c1-6(2)5-3-7-9-11-10-8-4-5/h5H,3-4H2,1-2H3", + "name": "7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane", + "names": [ + "7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane", + "PTCA" + ] + }, + { + "compound_id": "C10918", + "inchi": "InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2", + "name": "Indeloxazine", + "names": [ + "Indeloxazine" + ] + }, + { + "compound_id": "C10919", + "inchi": "InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)", + "name": "Mepanipyrim", + "names": [ + "Mepanipyrim" + ] + }, + { + "compound_id": "C10920", + "inchi": "InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2", + "name": "Glycidol", + "names": [ + "Glycidol" + ] + }, + { + "compound_id": "C10921", + "inchi": "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3", + "name": "Butyl acrylate", + "names": [ + "Butyl acrylate" + ] + }, + { + "compound_id": "C10922", + "inchi": "InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)", + "name": "2,3-Dimercaptopropane-1-sulfonic acid", + "names": [ + "2,3-Dimercaptopropane-1-sulfonic acid", + "DMPS" + ] + }, + { + "compound_id": "C10923", + "inchi": "InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2", + "name": "2-Nitrofluorene", + "names": [ + "2-Nitrofluorene", + "NF" + ] + }, + { + "compound_id": "C10924", + "inchi": "InChI=1S/C13H9NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7,13,15H", + "name": "9-Hydroxy-2-nitrofluorene", + "names": [ + "9-Hydroxy-2-nitrofluorene", + "9-OHNF" + ] + }, + { + "compound_id": "C10925", + "inchi": "InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3", + "name": "Acetochlor", + "names": [ + "Acetochlor" + ] + }, + { + "compound_id": "C10926", + "inchi": "InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3", + "name": "Hexazinone", + "names": [ + "Hexazinone" + ] + }, + { + "compound_id": "C10927", + "inchi": "InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)", + "name": "Irgarol 1051", + "names": [ + "Irgarol 1051" + ] + }, + { + "compound_id": "C10928", + "inchi": "InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3", + "name": "Alachlor", + "names": [ + "Alachlor" + ] + }, + { + "compound_id": "C10929", + "inchi": "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3", + "name": "Benalaxyl", + "names": [ + "Benalaxyl" + ] + }, + { + "compound_id": "C10930", + "inchi": "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3", + "name": "Metamitron", + "names": [ + "Goltix", + "Metamitron" + ] + }, + { + "compound_id": "C10931", + "inchi": "InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3", + "name": "Butachlor", + "names": [ + "Butachlor" + ] + }, + { + "compound_id": "C10932", + "inchi": "InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)", + "name": "Carpropamid", + "names": [ + "Carpropamid" + ] + }, + { + "compound_id": "C10933", + "inchi": "InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)", + "name": "Amidosulfuron", + "names": [ + "Amidosulfuron" + ] + }, + { + "compound_id": "C10934", + "inchi": "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)", + "name": "2,6-Dichlorobenzamide", + "names": [ + "2,6-Dichlorobenzamide", + "DCB" + ] + }, + { + "compound_id": "C10935", + "inchi": "InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3", + "name": "N,N-Diethyl-m-toluamide", + "names": [ + "DEET", + "Diethyltoluamide", + "N,N-Diethyl-m-toluamide" + ] + }, + { + "compound_id": "C10936", + "inchi": "InChI=1S/C21H27N3O2/c1-5-24(6-2)14-19(25)22-18-12-10-17(11-13-18)21(26)23-20-15(3)8-7-9-16(20)4/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,23,26)", + "name": "N-(2,6-Dimethylphenyl)-4-[[(diethylamino)acetyl]amino]benzamide", + "names": [ + "DEGA", + "N-(2,6-Dimethylphenyl)-4-[[(diethylamino)acetyl]amino]benzamide" + ] + }, + { + "compound_id": "C10937", + "inchi": "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)", + "name": "Bensulfuron-methyl", + "names": [ + "Bensulfuron methyl", + "Bensulfuron-methyl", + "Methyl bensulfuron" + ] + }, + { + "compound_id": "C10938", + "inchi": "InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3", + "name": "N,N-Diethylphenylacetamide", + "names": [ + "DEPA", + "N,N-Diethylphenylacetamide" + ] + }, + { + "compound_id": "C10939", + "inchi": "InChI=1S/C19H20F3NO3/c1-5-23(2)18(24)14-8-7-13(19(20,21)22)11-15(14)12-6-9-16(25-3)17(10-12)26-4/h6-11H,5H2,1-4H3", + "name": "N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(3,4-dimethoxyphenyl)benzamide", + "names": [ + "EMTDB", + "N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(3,4-dimethoxyphenyl)benzamide" + ] + }, + { + "compound_id": "C10940", + "inchi": "InChI=1S/C21H26N2O2/c1-2-23-15-9-14-19(23)16-22-20(24)21(25,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,25H,2,9,14-16H2,1H3,(H,22,24)", + "name": "Epicainide", + "names": [ + "Epicainide" + ] + }, + { + "compound_id": "C10941", + "inchi": "InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3", + "name": "Furalaxyl", + "names": [ + "Furalaxyl" + ] + }, + { + "compound_id": "C10942", + "inchi": "InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)", + "name": "Inabenfide", + "names": [ + "Inabenfide" + ] + }, + { + "compound_id": "C10943", + "inchi": "InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)", + "name": "Chlorimuron-ethyl", + "names": [ + "Chlorimuron ethyl", + "Chlorimuron-ethyl" + ] + }, + { + "compound_id": "C10944", + "inchi": "InChI=1S/C16H21NO/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+", + "name": "Isobutylphendienamide", + "names": [ + "Isobutylphendienamide" + ] + }, + { + "compound_id": "C10945", + "inchi": "InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+", + "name": "Caffeic aldehyde", + "names": [ + "3,4-Dihydroxycinnamaldehyde", + "Caffeic aldehyde", + "Caffeyl aldehyde" + ] + }, + { + "compound_id": "C10946", + "inchi": "InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)", + "name": "Metsulfuron-methyl", + "names": [ + "Metsulfuron methyl", + "Metsulfuron-methyl" + ] + }, + { + "compound_id": "C10947", + "inchi": "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3", + "name": "Metalaxyl", + "names": [ + "Metalaxyl" + ] + }, + { + "compound_id": "C10948", + "inchi": "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3", + "name": "Metazachlor", + "names": [ + "Metazachlor" + ] + }, + { + "compound_id": "C10949", + "inchi": "InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)", + "name": "Nicosulfuron", + "names": [ + "Nicosulfuron" + ] + }, + { + "compound_id": "C10950", + "inchi": "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)", + "name": "Prosulfuron", + "names": [ + "Prosulfuron" + ] + }, + { + "compound_id": "C10951", + "inchi": "InChI=1S/C20H16ClF3N2O2S/c1-12-18(21)19(29-25-12)26(2)17(27)11-13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)20(22,23)24/h3-10H,11H2,1-2H3", + "name": "N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide", + "names": [ + "ITOPA", + "N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide" + ] + }, + { + "compound_id": "C10952", + "inchi": "InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)", + "name": "Rimsulfuron", + "names": [ + "Rimsulfuron" + ] + }, + { + "compound_id": "C10953", + "inchi": "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3", + "name": "Metolachlor", + "names": [ + "Metolachlor" + ] + }, + { + "compound_id": "C10954", + "inchi": "InChI=1S/C19H17NO2/c1-14(19(21)20-17-9-3-2-4-10-17)22-18-12-11-15-7-5-6-8-16(15)13-18/h2-14H,1H3,(H,20,21)", + "name": "Naproanilide", + "names": [ + "Naproanilide" + ] + }, + { + "compound_id": "C10955", + "inchi": "InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)", + "name": "Sulfometuron methyl", + "names": [ + "Sulfometuron methyl" + ] + }, + { + "compound_id": "C10956", + "inchi": "InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)", + "name": "Oxycarboxin", + "names": [ + "Oxycarboxin" + ] + }, + { + "compound_id": "C10957", + "inchi": "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)", + "name": "Thifensulfuron-methyl", + "names": [ + "Thifensulfuron methyl", + "Thifensulfuron-methyl" + ] + }, + { + "compound_id": "C10958", + "inchi": "InChI=1S/C15H13N3O2/c1-18-9-5-8-13(18)14(19)12(10-16)15(20)17-11-6-3-2-4-7-11/h2-9,12H,1H3,(H,17,20)", + "name": "Prinomide", + "names": [ + "Prinomide" + ] + }, + { + "compound_id": "C10959", + "inchi": "InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3", + "name": "Thenylchlor", + "names": [ + "NSK-850", + "Thenylchlor" + ] + }, + { + "compound_id": "C10960", + "inchi": "InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)", + "name": "Triforine", + "names": [ + "Triforine" + ] + }, + { + "compound_id": "C10961", + "inchi": "InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)", + "name": "Triasulfuron", + "names": [ + "Triasulfuron" + ] + }, + { + "compound_id": "C10962", + "inchi": "InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)", + "name": "Tribenuron methyl", + "names": [ + "Tribenuron methyl", + "Tribenuron-methyl" + ] + }, + { + "compound_id": "C10963", + "inchi": "InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)", + "name": "Terbacil", + "names": [ + "Terbacil" + ] + }, + { + "compound_id": "C10964", + "inchi": "InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3", + "name": "Benoxacor", + "names": [ + "Benoxacor" + ] + }, + { + "compound_id": "C10965", + "inchi": "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3", + "name": "Bentazone", + "names": [ + "Bentazone" + ] + }, + { + "compound_id": "C10966", + "inchi": "InChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3", + "name": "Chlorpromazine N-oxide", + "names": [ + "Chlorpromazine N-oxide" + ] + }, + { + "compound_id": "C10967", + "inchi": "InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3", + "name": "Fluperlapine", + "names": [ + "Fluperlapine" + ] + }, + { + "compound_id": "C10968", + "inchi": "InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)", + "name": "Idazoxan", + "names": [ + "Idazoxan" + ] + }, + { + "compound_id": "C10969", + "inchi": "InChI=1S/C18H15ClN2O4/c1-2-10-25-14-5-3-4-13-15(14)17(22)16(18(23)24)20-21(13)12-8-6-11(19)7-9-12/h3-9H,2,10H2,1H3,(H,23,24)", + "name": "SC-1271", + "names": [ + "1-(4'-Chlorophenyl)-1,4-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid", + "SC-1271" + ] + }, + { + "compound_id": "C10970", + "inchi": "InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3", + "name": "SK&F 86466", + "names": [ + "SK&F 86466" + ] + }, + { + "compound_id": "C10971", + "inchi": "InChI=1S/C14H12BrNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h5-8H,1-4H2/b16-13-", + "name": "Isoimide", + "names": [ + "Isoimide", + "N-(Bromophenyl)-3,4,5,6-tetrahydroisophthalimide" + ] + }, + { + "compound_id": "C10972", + "inchi": "InChI=1S/C14H12BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2", + "name": "Imide", + "names": [ + "Imide", + "N-(4-Bromophenyl)-3,4,5,6-tetrahydrophthalimide" + ] + }, + { + "compound_id": "C10973", + "inchi": "InChI=1S/C12H12BrN3OS/c13-9-3-5-10(6-4-9)14-11-15-7-1-2-8-16(15)12(17)18-11/h3-6H,1-2,7-8H2/b14-11-", + "name": "Thiadiazolidinone", + "names": [ + "5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidin-2-one", + "Thiadiazolidinone" + ] + }, + { + "compound_id": "C10974", + "inchi": "InChI=1S/C5H11NO/c1-6-4-2-3-5-7/h5-6H,2-4H2,1H3", + "name": "4-Methylaminobutanal", + "names": [ + "4-Methylaminobutanal" + ] + }, + { + "compound_id": "C10975", + "inchi": "InChI=1S/C12H12BrN3OS/c13-9-3-5-10(6-4-9)16-11(17)14-7-1-2-8-15(14)12(16)18/h3-6H,1-2,7-8H2", + "name": "Triazolidinonethione", + "names": [ + "4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidin-3-one-5-thione", + "Triazolidinonethione" + ] + }, + { + "compound_id": "C10976", + "inchi": "InChI=1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3", + "name": "1-Oxa-2-oxo-3-methylcycloheptane", + "names": [ + "1-Oxa-2-oxo-3-methylcycloheptane" + ] + }, + { + "compound_id": "C10977", + "inchi": "InChI=1S/C12H12BrN3S2/c13-9-3-5-10(6-4-9)14-11-15-7-1-2-8-16(15)12(17)18-11/h3-6H,1-2,7-8H2/b14-11-", + "name": "Thiadiazolidinethione", + "names": [ + "5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidine-2-thione", + "Thiadiazolidinethione" + ] + }, + { + "compound_id": "C10978", + "inchi": "InChI=1S/C12H12BrN3S2/c13-9-3-5-10(6-4-9)16-11(17)14-7-1-2-8-15(14)12(16)18/h3-6H,1-2,7-8H2", + "name": "Triazolidinedithione", + "names": [ + "4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidine-3,5-dithione", + "Triazolidinedithione" + ] + }, + { + "compound_id": "C10979", + "inchi": "InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3", + "name": "Chlozolinate", + "names": [ + "Chlozolinate", + "Dichlozolinate" + ] + }, + { + "compound_id": "C10980", + "inchi": "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-", + "name": "Bifenthrin", + "names": [ + "Bifenthrin" + ] + }, + { + "compound_id": "C10981", + "inchi": "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3", + "name": "Vinclozolin", + "names": [ + "Vinclozolin" + ] + }, + { + "compound_id": "C10982", + "inchi": "InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3", + "name": "Cyfluthrin", + "names": [ + "Cyfluthrin" + ] + }, + { + "compound_id": "C10983", + "inchi": "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-", + "name": "Cyhalothrin", + "names": [ + "Cyhalothrin" + ] + }, + { + "compound_id": "C10984", + "inchi": "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3", + "name": "Cypermethrin", + "names": [ + "Cypermethrin" + ] + }, + { + "compound_id": "C10985", + "inchi": "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1", + "name": "Deltamethrin", + "names": [ + "Decamethrin", + "Deltamethrin" + ] + }, + { + "compound_id": "C10986", + "inchi": "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3", + "name": "Procymidone", + "names": [ + "Procymidone" + ] + }, + { + "compound_id": "C10987", + "inchi": "InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2", + "name": "N-(3,5-Dichlorophenyl)succinimide", + "names": [ + "N-(3,5-Dichlorophenyl)succinimide", + "NDPS" + ] + }, + { + "compound_id": "C10988", + "inchi": "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3", + "name": "Fenvalerate", + "names": [ + "Fenvalerate", + "Pydrin" + ] + }, + { + "compound_id": "C10989", + "inchi": "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3", + "name": "Fluvalinate", + "names": [ + "Fluvalinate" + ] + }, + { + "compound_id": "C10990", + "inchi": "InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3", + "name": "Flumiclorac pentyl", + "names": [ + "Flumiclorac pentyl", + "S-23031" + ] + }, + { + "compound_id": "C10991", + "inchi": "InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3", + "name": "Resmethrin", + "names": [ + "Resmethrin" + ] + }, + { + "compound_id": "C10992", + "inchi": "InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-", + "name": "Tefluthrin", + "names": [ + "Tefluthrin" + ] + }, + { + "compound_id": "C10993", + "inchi": "InChI=1S/C18H15ClFNO3/c1-3-10(2)24-16-9-15(14(20)8-13(16)19)21-17(22)11-6-4-5-7-12(11)18(21)23/h1,8-10H,4-7H2,2H3", + "name": "Flumipropyn", + "names": [ + "Flumipropyn", + "S-23121" + ] + }, + { + "compound_id": "C10994", + "inchi": "InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+", + "name": "Hydramethylnon", + "names": [ + "Amdro", + "Hydramethylnon" + ] + }, + { + "compound_id": "C10995", + "inchi": "InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3/b20-12+,21-13+", + "name": "Amitraz", + "names": [ + "Amitraz", + "Mitac" + ] + }, + { + "compound_id": "C10996", + "inchi": "InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)", + "name": "Daminozide", + "names": [ + "Daminozide" + ] + }, + { + "compound_id": "C10997", + "inchi": "InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)", + "name": "Guazatine", + "names": [ + "Guazatine", + "Iminoctadine" + ] + }, + { + "compound_id": "C10998", + "inchi": "InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2", + "name": "4-Aminobiphenyl", + "names": [ + "4-Aminobiphenyl" + ] + }, + { + "compound_id": "C10999", + "inchi": "InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2", + "name": "4,4'-Methylene-bis-(2-chloroaniline)", + "names": [ + "4,4'-Methylene-bis-(2-chloroaniline)", + "MOCA", + "Methylenebis(chloroaniline)" + ] + }, + { + "compound_id": "C11000", + "inchi": "InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2", + "name": "Dichloran", + "names": [ + "2,6-Dichloro-4-nitroaniline", + "DCNA", + "Dichloran", + "Dicloran" + ] + }, + { + "compound_id": "C11001", + "inchi": "InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3", + "name": "2,6-Diethylaniline", + "names": [ + "2,6-Diethylaniline", + "DEA" + ] + }, + { + "compound_id": "C11002", + "inchi": "InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)", + "name": "Isofenphos", + "names": [ + "Isofenphos" + ] + }, + { + "compound_id": "C11003", + "inchi": "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3", + "name": "2,4-Xylidine", + "names": [ + "2,4-DMA", + "2,4-Dimethylaniline", + "2,4-Xylidine" + ] + }, + { + "compound_id": "C11004", + "inchi": "InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3", + "name": "2,6-Dimethylaniline", + "names": [ + "2,6-DMA", + "2,6-Dimethylaniline", + "2,6-Xylidine" + ] + }, + { + "compound_id": "C11005", + "inchi": "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)", + "name": "Isoproturon", + "names": [ + "Isoproturon" + ] + }, + { + "compound_id": "C11006", + "inchi": "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3", + "name": "2,4-Dinitrotoluene", + "names": [ + "2,4-DNT", + "2,4-Dinitrotoluene" + ] + }, + { + "compound_id": "C11007", + "inchi": "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", + "name": "Linuron", + "names": [ + "Linuron" + ] + }, + { + "compound_id": "C11008", + "inchi": "InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3", + "name": "2,6-Dinitrotoluene", + "names": [ + "2,6-DNT", + "2,6-Dinitrotoluene" + ] + }, + { + "compound_id": "C11009", + "inchi": "InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", + "name": "Chlorbromuron", + "names": [ + "Chlorbromuron" + ] + }, + { + "compound_id": "C11010", + "inchi": "InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2", + "name": "2-Fluoroaniline", + "names": [ + "2-Fluoroaniline", + "o-Fluoroaniline" + ] + }, + { + "compound_id": "C11011", + "inchi": "InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)", + "name": "Metoxuron", + "names": [ + "Dosanex", + "Metoxuron" + ] + }, + { + "compound_id": "C11012", + "inchi": "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)", + "name": "Pencycuron", + "names": [ + "Pencycuron" + ] + }, + { + "compound_id": "C11013", + "inchi": "InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2", + "name": "3-Fluoroaniline", + "names": [ + "3-Fluoroaniline", + "m-Fluoroaniline" + ] + }, + { + "compound_id": "C11014", + "inchi": "InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2", + "name": "4-Fluoroaniline", + "names": [ + "4-Fluoroaniline", + "p-Fluoroaniline" + ] + }, + { + "compound_id": "C11015", + "inchi": "InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+", + "name": "Aldicarb", + "names": [ + "Aldicarb" + ] + }, + { + "compound_id": "C11016", + "inchi": "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H", + "name": "Diphenylamine", + "names": [ + "Diphenylamine" + ] + }, + { + "compound_id": "C11017", + "inchi": "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+", + "name": "Kresoxim-methyl", + "names": [ + "BAS 490 F", + "Kresoxim-methyl" + ] + }, + { + "compound_id": "C11018", + "inchi": "InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3", + "name": "Azinphos-methyl", + "names": [ + "Azinphos methyl", + "Azinphos-methyl" + ] + }, + { + "compound_id": "C11019", + "inchi": "InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3", + "name": "Pendimethalin", + "names": [ + "Pendimethalin" + ] + }, + { + "compound_id": "C11020", + "inchi": "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)", + "name": "2,4-DP", + "names": [ + "2,4-DP", + "2-(2,4-Dichlorophenoxy)propionic acid", + "Dichlorprop" + ] + }, + { + "compound_id": "C11021", + "inchi": "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3", + "name": "Diclofop methyl", + "names": [ + "Diclofop methyl" + ] + }, + { + "compound_id": "C11022", + "inchi": "InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)", + "name": "Butamifos", + "names": [ + "Butamifos", + "Cremart" + ] + }, + { + "compound_id": "C11023", + "inchi": "InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-12-7-8-13(15(16)17)10(3)9-12/h7-9,11H,5-6H2,1-4H3,(H,14,21)", + "name": "O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate", + "names": [ + "O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate" + ] + }, + { + "compound_id": "C11024", + "inchi": "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3", + "name": "Fenoxaprop-ethyl", + "names": [ + "Fenoxaprop ethyl", + "Fenoxaprop-ethyl" + ] + }, + { + "compound_id": "C11025", + "inchi": "InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3", + "name": "Coumaphos", + "names": [ + "Coumaphos" + ] + }, + { + "compound_id": "C11026", + "inchi": "InChI=1S/C28H32Cl2O10P2S2/c1-7-33-41(43,34-8-2)39-17-11-13-19-21(15-17)37-23(31)27(29)25(19,5)28(30)24(32)38-22-16-18(12-14-20(22)26(27,28)6)40-42(44,35-9-3)36-10-4/h11-16H,7-10H2,1-6H3/t25-,26+,27+,28-/m0/s1", + "name": "Coumaphos anti-dimer", + "names": [ + "Coumaphos anti-dimer" + ] + }, + { + "compound_id": "C11027", + "inchi": "InChI=1S/C28H32Cl2O10P2S2/c1-7-33-41(43,34-8-2)39-17-11-13-19-21(15-17)37-23(31)27(29)25(19,5)28(30)24(32)38-22-16-18(12-14-20(22)26(27,28)6)40-42(44,35-9-3)36-10-4/h11-16H,7-10H2,1-6H3/t25-,26+,27-,28+/m0/s1", + "name": "Coumaphos syn-dimer", + "names": [ + "Coumaphos syn-dimer" + ] + }, + { + "compound_id": "C11028", + "inchi": "InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3", + "name": "Phosalone", + "names": [ + "Agria 1060 A", + "Phosalone" + ] + }, + { + "compound_id": "C11029", + "inchi": "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3", + "name": "Fluazifop butyl", + "names": [ + "Fluazifop butyl" + ] + }, + { + "compound_id": "C11030", + "inchi": "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3", + "name": "Quinalphos", + "names": [ + "Quinalphos" + ] + }, + { + "compound_id": "C11031", + "inchi": "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3", + "name": "Haloxyfop methyl", + "names": [ + "Haloxyfop methyl" + ] + }, + { + "compound_id": "C11032", + "inchi": "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)", + "name": "Trichlopyr", + "names": [ + "Trichlopyr", + "Triclopyr" + ] + }, + { + "compound_id": "C11033", + "inchi": "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)", + "name": "1-Aminomethylphosphonic acid", + "names": [ + "(aminomethyl)phosphonate", + "1-Aminomethylphosphonic acid", + "AMPA" + ] + }, + { + "compound_id": "C11034", + "inchi": "InChI=1S/C21H18ClNO3/c22-15-7-5-14(6-8-15)13-26-17-11-9-16(10-12-17)23-20(24)18-3-1-2-4-19(18)21(23)25/h5-12H,1-4,13H2", + "name": "MK-129", + "names": [ + "MK-129" + ] + }, + { + "compound_id": "C11035", + "inchi": "InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2", + "name": "S-53482", + "names": [ + "Flumioxazin", + "S-53482" + ] + }, + { + "compound_id": "C11036", + "inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H", + "name": "Bromobenzene", + "names": [ + "Bromobenzene" + ] + }, + { + "compound_id": "C11037", + "inchi": "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14", + "name": "Chlorothalonil", + "names": [ + "Chlorothalonil", + "Daconil", + "TPN", + "Tetrachloroisophthalonitrile" + ] + }, + { + "compound_id": "C11038", + "inchi": "InChI=1S/C10H17N3O11P2/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(23-8)4-22-26(20,21)24-25(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1", + "name": "2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate", + "names": [ + "2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate" + ] + }, + { + "compound_id": "C11039", + "inchi": "InChI=1S/C10H18N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1", + "name": "2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate", + "names": [ + "2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate" + ] + }, + { + "compound_id": "C11040", + "inchi": "InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H", + "name": "Dichlobenil", + "names": [ + "2,6-Dichlorobenzonitrile", + "Dichlobenil" + ] + }, + { + "compound_id": "C11041", + "inchi": "InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)", + "name": "Chlorthiamid", + "names": [ + "2,6-Dichlorothiobenzamide", + "Chlorthiamid" + ] + }, + { + "compound_id": "C11042", + "inchi": "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9", + "name": "Hexachlorobenzene", + "names": [ + "HCB", + "Hexachlorobenzene" + ] + }, + { + "compound_id": "C11043", + "inchi": "InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3", + "name": "Methoxychlor", + "names": [ + "Methoxychlor" + ] + }, + { + "compound_id": "C11044", + "inchi": "InChI=1S/C12H5Cl5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H", + "name": "2,2',4,4',5-Pentachlorodiphenyl ether", + "names": [ + "2,2',4,4',5-Pentachlorodiphenyl ether" + ] + }, + { + "compound_id": "C11045", + "inchi": "InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)", + "name": "Aspartame", + "names": [ + "Aspartame" + ] + }, + { + "compound_id": "C11047", + "inchi": "InChI=1S/C35H44O16/c1-8-15(2)24(37)49-18-12-19(48-16(3)36)32(26(38)43-6)13-46-21-22(32)31(18)14-47-34(41,27(39)44-7)25(31)29(4)23(21)51-30(5)17-11-20(35(29,30)42)50-28-33(17,40)9-10-45-28/h8-10,17-23,25,28,40-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30-,31+,32+,33+,34+,35+/m1/s1", + "name": "3-Acetyl-1-tigloylazadirachtinin", + "names": [ + "3-Acetyl-1-tigloylazadirachtinin", + "Azadirachtinin" + ] + }, + { + "compound_id": "C11048", + "inchi": "InChI=1S/C10H9NOS/c1-13-10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3", + "name": "Brassicanal A", + "names": [ + "Brassicanal A" + ] + }, + { + "compound_id": "C11049", + "inchi": "InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1", + "name": "24-epi-Brassinolide", + "names": [ + "24-epi-Brassinolide" + ] + }, + { + "compound_id": "C11050", + "inchi": "InChI=1S/C28H48O7/c1-14(23(31)24(32)15(2)26(3,4)34)17-7-8-18-16-13-35-25(33)20-11-21(29)22(30)12-28(20,6)19(16)9-10-27(17,18)5/h14-24,29-32,34H,7-13H2,1-6H3/t14-,15-,16-,17+,18-,19-,20+,21-,22+,23+,24+,27+,28+/m0/s1", + "name": "25-Hydroxy-24-epi-brassinolide", + "names": [ + "25-Hydroxy-24-epi-brassinolide" + ] + }, + { + "compound_id": "C11051", + "inchi": "InChI=1S/C28H48O7/c1-14(12-29)15(2)24(32)25(33)16(3)18-6-7-19-17-13-35-26(34)21-10-22(30)23(31)11-28(21,5)20(17)8-9-27(18,19)4/h14-25,29-33H,6-13H2,1-5H3/t14?,15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1", + "name": "26-Hydroxy-24-epi-brassinolide", + "names": [ + "26-Hydroxy-24-epi-brassinolide" + ] + }, + { + "compound_id": "C11052", + "inchi": "InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3", + "name": "7-Ethoxycoumarin", + "names": [ + "7-Ethoxycoumarin" + ] + }, + { + "compound_id": "C11053", + "inchi": "InChI=1S/C21H26O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h8-13,20H,6-7H2,1-5H3/t13-,20+,21+/m1/s1", + "name": "9,10-Dihydrokadsurenone", + "names": [ + "9,10-Dihydrokadsurenone" + ] + }, + { + "compound_id": "C11054", + "inchi": "InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1", + "name": "Spinosyn A", + "names": [ + "Spinosyn A" + ] + }, + { + "compound_id": "C11055", + "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1", + "name": "Spinosyn B", + "names": [ + "Spinosyn B" + ] + }, + { + "compound_id": "C11056", + "inchi": "InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1", + "name": "Spinosyn D", + "names": [ + "Spinosyn D" + ] + }, + { + "compound_id": "C11057", + "inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H", + "name": "3,4,3',4'-Tetrachlorobiphenyl", + "names": [ + "3,4,3',4'-Tetrachlorobiphenyl", + "PCB 77" + ] + }, + { + "compound_id": "C11058", + "inchi": "InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H", + "name": "1,2,3,4-Tetrachlorodibenzodioxin", + "names": [ + "1,2,3,4-TCDD", + "1,2,3,4-Tetrachlorodibenzo-p-dioxin", + "1,2,3,4-Tetrachlorodibenzodioxin" + ] + }, + { + "compound_id": "C11059", + "inchi": "InChI=1S/C12H4Cl4O2/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4H", + "name": "1,3,6,8-Tetrachlorodibenzo-p-dioxin", + "names": [ + "1,3,6,8-TCDD", + "1,3,6,8-Tetrachlorodibenzo-p-dioxin", + "1,3,6,8-Tetrachlorodibenzodioxin" + ] + }, + { + "compound_id": "C11060", + "inchi": "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1", + "name": "(-)-Abscisic acid", + "names": [ + "(-)-ABA", + "(-)-Abscisic acid" + ] + }, + { + "compound_id": "C11061", + "inchi": "InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1", + "name": "all-trans-Retinoyl-beta-glucuronide", + "names": [ + "Retinoyl glucuronide", + "all-trans-Retinoyl-beta-glucuronide" + ] + }, + { + "compound_id": "C11062", + "inchi": "InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,33,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1", + "name": "4-Hydroxybutyryl-CoA", + "names": [ + "4-Hydroxybutanoyl-CoA", + "4-Hydroxybutyryl-CoA" + ] + }, + { + "compound_id": "C11063", + "inchi": "InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H", + "name": "Chlornitrofen", + "names": [ + "2,4,6-Trichlorophenyl 4-nitrophenyl ether", + "Chlornitrofen", + "MC-338" + ] + }, + { + "compound_id": "C11064", + "inchi": "InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H", + "name": "Fluorodifen", + "names": [ + "Fluorodifen", + "Preforan" + ] + }, + { + "compound_id": "C11065", + "inchi": "InChI=1/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H", + "name": "Nitrofen", + "names": [ + "Nitrofen" + ] + }, + { + "compound_id": "C11066", + "inchi": "InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3", + "name": "Bifenox", + "names": [ + "Bifenox", + "MC-4379" + ] + }, + { + "compound_id": "C11067", + "inchi": "InChI=1S/C14H8Cl3NO5/c1-22-14(19)9-6-8(2-3-12(9)18(20)21)23-13-10(16)4-7(15)5-11(13)17/h2-6H,1H3", + "name": "MC-3761", + "names": [ + "MC-3761" + ] + }, + { + "compound_id": "C11068", + "inchi": "InChI=1S/C15H11Cl2NO5/c1-2-22-15(19)11-8-10(4-5-13(11)18(20)21)23-14-6-3-9(16)7-12(14)17/h3-8H,2H2,1H3", + "name": "MC-5127", + "names": [ + "MC-5127" + ] + }, + { + "compound_id": "C11069", + "inchi": "InChI=1S/C14H9ClFNO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(16)6-11(13)15/h2-7H,1H3", + "name": "MC-6063", + "names": [ + "MC-6063" + ] + }, + { + "compound_id": "C11070", + "inchi": "InChI=1S/C14H8Cl2FNO5/c1-22-14(19)9-6-8(2-3-12(9)18(20)21)23-13-10(16)4-7(15)5-11(13)17/h2-6H,1H3", + "name": "MC-7181", + "names": [ + "MC-7181" + ] + }, + { + "compound_id": "C11071", + "inchi": "InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)", + "name": "Aminocarb", + "names": [ + "Aminocarb", + "Matacil" + ] + }, + { + "compound_id": "C11072", + "inchi": "InChI=1S/C6H10O2S/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)", + "name": "THTA", + "names": [ + "2-Tetrahydrothiopheneacetic acid", + "THTA" + ] + }, + { + "compound_id": "C11073", + "inchi": "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3", + "name": "Benfuracarb", + "names": [ + "Benfuracarb" + ] + }, + { + "compound_id": "C11074", + "inchi": "InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)", + "name": "THTC", + "names": [ + "2-n-Tetrahydrothiophenecarboxylic acid", + "THTC" + ] + }, + { + "compound_id": "C11075", + "inchi": "InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1", + "name": "Carbetamide", + "names": [ + "Carbetamide" + ] + }, + { + "compound_id": "C11076", + "inchi": "InChI=1S/C16H32S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16/h16H,2-15H2,1H3", + "name": "2-N-Dodecyltetrahydrothiophene", + "names": [ + "2-N-Dodecyltetrahydrothiophene", + "DTHT" + ] + }, + { + "compound_id": "C11077", + "inchi": "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)", + "name": "Diethofencarb", + "names": [ + "Diethofencarb" + ] + }, + { + "compound_id": "C11078", + "inchi": "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)", + "name": "Fenoxycarb", + "names": [ + "Fenoxycarb" + ] + }, + { + "compound_id": "C11079", + "inchi": "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3", + "name": "Pirimicarb", + "names": [ + "Pirimicarb" + ] + }, + { + "compound_id": "C11080", + "inchi": "InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)", + "name": "Cartap", + "names": [ + "Cartap" + ] + }, + { + "compound_id": "C11081", + "inchi": "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3", + "name": "EPTC", + "names": [ + "EPTC", + "S-Ethyl dipropylthiocarbamate" + ] + }, + { + "compound_id": "C11082", + "inchi": "InChI=1S/C15H30S/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16-15/h15H,2-14H2,1H3", + "name": "2-N-Undecyltetrahydrothiophene", + "names": [ + "2-N-Undecyltetrahydrothiophene", + "UTHT" + ] + }, + { + "compound_id": "C11083", + "inchi": null, + "name": "Assert", + "names": [ + "2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or 5)-methylbenzoic acid methyl ester", + "Assert", + "Imazamethabenz", + "Imazamethabenz-methyl" + ] + }, + { + "compound_id": "C11084", + "inchi": "InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3", + "name": "Fenothiocarb", + "names": [ + "Fenothiocarb" + ] + }, + { + "compound_id": "C11085", + "inchi": "InChI=1S/C13H19NO3S/c1-14(2)13(15)18(16)11-7-6-10-17-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3", + "name": "Fenothiocarb sulfoxide", + "names": [ + "Fenothiocarb sulfoxide" + ] + }, + { + "compound_id": "C11086", + "inchi": "InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3", + "name": "Molinate", + "names": [ + "Molinate", + "Ordram" + ] + }, + { + "compound_id": "C11087", + "inchi": "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3", + "name": "Orbencarb", + "names": [ + "Orbencarb" + ] + }, + { + "compound_id": "C11088", + "inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2", + "name": "1,2-Dibromoethane", + "names": [ + "1,2-Dibromoethane", + "Ethylene dibromide" + ] + }, + { + "compound_id": "C11089", + "inchi": "InChI=1S/C2Cl2/c3-1-2-4", + "name": "Dichloroacetylene", + "names": [ + "Dichloroacetylene" + ] + }, + { + "compound_id": "C11090", + "inchi": "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2", + "name": "Endosulfan", + "names": [ + "Benzoepin", + "Endosulfan" + ] + }, + { + "compound_id": "C11091", + "inchi": "InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10", + "name": "Hexachloro-1,3-butadiene", + "names": [ + "HCBD", + "Hexachloro-1,3-butadiene", + "Hexachlorobutadiene" + ] + }, + { + "compound_id": "C11092", + "inchi": "InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1", + "name": "Azocyclotin", + "names": [ + "Azocyclotin" + ] + }, + { + "compound_id": "C11093", + "inchi": "InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1", + "name": "Cyhexatin", + "names": [ + "Cyhexatin" + ] + }, + { + "compound_id": "C11094", + "inchi": "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3", + "name": "Carfentrazone-ethyl", + "names": [ + "Carfentrazone-ethyl" + ] + }, + { + "compound_id": "C11095", + "inchi": "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3", + "name": "Clomazone", + "names": [ + "Clomazone", + "FMC57020" + ] + }, + { + "compound_id": "C11096", + "inchi": "InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2", + "name": "Croconazole", + "names": [ + "Croconazole" + ] + }, + { + "compound_id": "C11097", + "inchi": "InChI=1S/C12H14ClF2N5O3S/c1-2-24(22,23)16-10-7-11(9(15)6-8(10)13)20-12(21)19(17-18-20)5-3-4-14/h6-7,16H,2-5H2,1H3", + "name": "F5231", + "names": [ + "F5231" + ] + }, + { + "compound_id": "C11098", + "inchi": "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+", + "name": "Fenpyroximate", + "names": [ + "Fenpyroximate" + ] + }, + { + "compound_id": "C11099", + "inchi": "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2", + "name": "Fipronil", + "names": [ + "Fipronil" + ] + }, + { + "compound_id": "C11100", + "inchi": "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2", + "name": "Flurochloridone", + "names": [ + "Flurochloridone", + "Raiser" + ] + }, + { + "compound_id": "C11101", + "inchi": "InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2", + "name": "5-Hydroxymethyl-2-furaldehyde", + "names": [ + "5-Hydroxymethyl-2-furaldehyde", + "5-Hydroxymethylfurfural", + "HMF" + ] + }, + { + "compound_id": "C11102", + "inchi": "InChI=1S/C10H15NO7/c1-4-2-6(11-18-4)17-10-9(15)8(14)7(13)5(3-12)16-10/h2,5,7-10,12-15H,3H2,1H3/t5-,7-,8+,9-,10-/m1/s1", + "name": "Hymexazol O-glucoside", + "names": [ + "HOG", + "Hymexazol O-glucoside" + ] + }, + { + "compound_id": "C11103", + "inchi": "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)", + "name": "Hymexazol", + "names": [ + "Hymexazol" + ] + }, + { + "compound_id": "C11104", + "inchi": "InChI=1S/C10H15NO7/c1-4-2-6(13)11(18-4)10-9(16)8(15)7(14)5(3-12)17-10/h2,5,7-10,12,14-16H,3H2,1H3/t5-,7-,8+,9?,10+/m1/s1", + "name": "Hymexazol N-glucoside", + "names": [ + "HNG", + "Hymexazol N-glucoside" + ] + }, + { + "compound_id": "C11105", + "inchi": "InChI=1S/C4H5NO5S/c1-3-2-4(5-9-3)10-11(6,7)8/h2H,1H3,(H,6,7,8)", + "name": "5-Methyl-3-isoxazolyl sulfate", + "names": [ + "5-Methyl-3-isoxazolyl sulfate" + ] + }, + { + "compound_id": "C11106", + "inchi": "InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)", + "name": "Acetoacetamide", + "names": [ + "AAA", + "Acetoacetamide" + ] + }, + { + "compound_id": "C11107", + "inchi": "InChI=1S/C10H13NO8/c1-3-2-4(11-19-3)17-10-7(14)5(12)6(13)8(18-10)9(15)16/h2,5-8,10,12-14H,1H3,(H,15,16)/t5-,6-,7+,8-,10-/m0/s1", + "name": "3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole", + "names": [ + "3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole" + ] + }, + { + "compound_id": "C11108", + "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(7)4(5)8/h2-3,6-7H,1H3,(H2,5,8)", + "name": "(-)-erythro-(2R,3R)-Dihydroxybutylamide", + "names": [ + "(-)-erythro-(2R,3R)-Dihydroxybutylamide", + "DBA" + ] + }, + { + "compound_id": "C11109", + "inchi": "InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)", + "name": "HBA", + "names": [ + "HBA" + ] + }, + { + "compound_id": "C11110", + "inchi": "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)", + "name": "Imidacloprid", + "names": [ + "Imidacloprid" + ] + }, + { + "compound_id": "C11111", + "inchi": "InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3", + "name": "Isoprothiolane", + "names": [ + "Isoprothiolane" + ] + }, + { + "compound_id": "C11112", + "inchi": "InChI=1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3", + "name": "Isoprothiolane sulfoxide", + "names": [ + "Isoprothiolane sulfoxide", + "Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide" + ] + }, + { + "compound_id": "C11113", + "inchi": "InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3", + "name": "Methaphenilene", + "names": [ + "Methaphenilene" + ] + }, + { + "compound_id": "C11114", + "inchi": "InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3", + "name": "Methapyrilene", + "names": [ + "Methapyrilene" + ] + }, + { + "compound_id": "C11115", + "inchi": "InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3", + "name": "5-Methyl-2-furaldehyde", + "names": [ + "5-Methyl-2-furaldehyde", + "5-Methyl-2-furfural" + ] + }, + { + "compound_id": "C11116", + "inchi": "InChI=1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)", + "name": "Methylparabanic acid", + "names": [ + "Imidazolidinetrione, methyl-", + "Methylparabanic acid" + ] + }, + { + "compound_id": "C11117", + "inchi": "InChI=1S/C4H6N2O4/c1-5-4(10)6-2(7)3(8)9/h1H3,(H,8,9)(H2,5,6,7,10)", + "name": "5-N-Methyloxaluric acid", + "names": [ + "5-N-Methyloxaluric acid" + ] + }, + { + "compound_id": "C11118", + "inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3", + "name": "N-Methyl-2-pyrrolidinone", + "names": [ + "1-Methyl-2-pyrrolidinone", + "N-Methyl-2-pyrrolidinone" + ] + }, + { + "compound_id": "C11119", + "inchi": "InChI=1S/C3H6N2OS/c6-4-5-1-2-7-3-5/h1-3H2", + "name": "N-Nitroso-1,3-thiazolidine", + "names": [ + "N-Nitroso-1,3-thiazolidine", + "N-Nitrosothiazolidine" + ] + }, + { + "compound_id": "C11120", + "inchi": "InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)", + "name": "Rilmenidine", + "names": [ + "Oxaminozoline", + "Rilmenidine" + ] + }, + { + "compound_id": "C11121", + "inchi": "InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3", + "name": "Propiconazole", + "names": [ + "Propiconazole" + ] + }, + { + "compound_id": "C11122", + "inchi": "InChI=1S/C12H10Cl2N2O2/c1-6-10(12(18)16(2)15-6)11(17)8-4-3-7(13)5-9(8)14/h3-5,18H,1-2H3", + "name": "DTP", + "names": [ + "(2,4-Dichlorophenyl)(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methanone", + "4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-hydroxypyrazole", + "DTP" + ] + }, + { + "compound_id": "C11123", + "inchi": "InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3", + "name": "Pyrazolate", + "names": [ + "4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-pyrazolyl p-toluenesulfonate", + "Pyrazolate" + ] + }, + { + "compound_id": "C11124", + "inchi": "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3", + "name": "Spiroxamine", + "names": [ + "KWG4168", + "Spiroxamine" + ] + }, + { + "compound_id": "C11125", + "inchi": "InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3", + "name": "Sulfentrazone", + "names": [ + "F6285", + "Sulfentrazone" + ] + }, + { + "compound_id": "C11126", + "inchi": "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)", + "name": "Tebufenpyrad", + "names": [ + "1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-", + "Tebufenpyrad" + ] + }, + { + "compound_id": "C11127", + "inchi": "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3", + "name": "Triadimenol", + "names": [ + "Triadimenol" + ] + }, + { + "compound_id": "C11128", + "inchi": "InChI=1S/C10H4Br3ClN2O/c11-7-8(12)16(10(13)15-7)9(17)5-1-3-6(14)4-2-5/h1-4H", + "name": "2,4,5-Tribromo-1-(4-chlorobenzoyl)imidazole", + "names": [ + "2,4,5-Tribromo-1-(4-chlorobenzoyl)imidazole" + ] + }, + { + "compound_id": "C11129", + "inchi": "InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)", + "name": "Isatin", + "names": [ + "Isatin" + ] + }, + { + "compound_id": "C11130", + "inchi": "InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)", + "name": "3-Hydroxyindolin-2-one", + "names": [ + "1,3-Dihydro-3-hydroxy-2H-indol-2-one", + "3-Hydroxyindolin-2-one", + "Dioxindole" + ] + }, + { + "compound_id": "C11131", + "inchi": "InChI=1S/C25H34O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,18-22,24,26-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,18-,19-,20-,21+,22-,24+,25-/m0/s1", + "name": "2-Methoxy-estradiol-17beta 3-glucuronide", + "names": [ + "2-Methoxy-estradiol-17beta 3-glucuronide" + ] + }, + { + "compound_id": "C11132", + "inchi": "InChI=1S/C25H32O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,19-22,24,27-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,19-,20-,21+,22-,24+,25-/m0/s1", + "name": "2-Methoxyestrone 3-glucuronide", + "names": [ + "2-Methoxyestrone 3-glucuronide" + ] + }, + { + "compound_id": "C11133", + "inchi": "InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1", + "name": "Estrone glucuronide", + "names": [ + "Estrone 3-glucuronide", + "Estrone beta-D-glucuronide", + "Estrone glucuronide" + ] + }, + { + "compound_id": "C11134", + "inchi": "InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17?,18-,19-,20+,21-,23?,24-,25-/m0/s1", + "name": "Testosterone glucuronide", + "names": [ + "Testosterone 17beta-(beta-D-glucuronide)", + "Testosterone glucuronide" + ] + }, + { + "compound_id": "C11135", + "inchi": "InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13?,14-,15-,16-,18-,19-,20+,21-,23?,24-,25-/m0/s1", + "name": "Androsterone glucuronide", + "names": [ + "Androsterone 3-glucuronide", + "Androsterone glucuronide" + ] + }, + { + "compound_id": "C11136", + "inchi": "InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13?,14+,15+,16+,18+,19+,20-,21+,23?,24+,25+/m1/s1", + "name": "Etiocholan-3alpha-ol-17-one 3-glucuronide", + "names": [ + "Etiocholan-3alpha-ol-17-one 3-glucuronide" + ] + }, + { + "compound_id": "C11141", + "inchi": "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1", + "name": "(+)-Atherospermoline", + "names": [ + "(+)-Atherospermoline" + ] + }, + { + "compound_id": "C11142", + "inchi": "InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3", + "name": "Sulfonylbismethane", + "names": [ + "Dimethyl sulfone", + "Sulfonylbismethane" + ] + }, + { + "compound_id": "C11143", + "inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3", + "name": "Dimethyl sulfoxide", + "names": [ + "DMSO", + "Dimethyl sulfoxide" + ] + }, + { + "compound_id": "C11144", + "inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3", + "name": "Dimethyl ether", + "names": [ + "DME", + "Dimethyl ether", + "Methoxymethane" + ] + }, + { + "compound_id": "C11145", + "inchi": "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)", + "name": "Methanesulfonic acid", + "names": [ + "Methanesulfonate", + "Methanesulfonic acid" + ] + }, + { + "compound_id": "C11146", + "inchi": "InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1", + "name": "Methylmercury chloride", + "names": [ + "Methylmercury chloride" + ] + }, + { + "compound_id": "C11147", + "inchi": "InChI=1S/CH3F/c1-2/h1H3", + "name": "Fluoromethane", + "names": [ + "Fluoromethane", + "Methyl fluoride" + ] + }, + { + "compound_id": "C11148", + "inchi": "InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1H", + "name": "TCE epoxide", + "names": [ + "TCE epoxide", + "Trichloroepoxyethane", + "Trichloroethylene epoxide" + ] + }, + { + "compound_id": "C11149", + "inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)", + "name": "Dichloroacetate", + "names": [ + "Dichloroacetate" + ] + }, + { + "compound_id": "C11150", + "inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)", + "name": "Trichloroacetate", + "names": [ + "TCA", + "Trichloroacetate", + "Trichloroacetic acid" + ] + }, + { + "compound_id": "C11151", + "inchi": "InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1", + "name": "Phenylmercury acetate", + "names": [ + "Phenylmercury acetate" + ] + }, + { + "compound_id": "C11152", + "inchi": "InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1", + "name": "Tetraphenylphosphonium", + "names": [ + "Tetraphenylphosphonium" + ] + }, + { + "compound_id": "C11153", + "inchi": "InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16?,21-,23-,24+,26-,27?,28-,29-,31?,32-/m1/s1", + "name": "Teniposide", + "names": [ + "Teniposide", + "VM-26" + ] + }, + { + "compound_id": "C11154", + "inchi": "InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)", + "name": "Trimetrexate", + "names": [ + "Trimetrexate" + ] + }, + { + "compound_id": "C11155", + "inchi": "InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3", + "name": "n-Propyl gallate", + "names": [ + "Propyl gallate", + "n-Propyl gallate" + ] + }, + { + "compound_id": "C11156", + "inchi": "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3", + "name": "Triadimefon", + "names": [ + "Triadimefon" + ] + }, + { + "compound_id": "C11158", + "inchi": "InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1", + "name": "Topotecan", + "names": [ + "Topotecan" + ] + }, + { + "compound_id": "C11159", + "inchi": "InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2", + "name": "Tiron", + "names": [ + "Tiron" + ] + }, + { + "compound_id": "C11160", + "inchi": "InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3", + "name": "Thiram", + "names": [ + "Tetramethylthioperoxydicarbonic diamide", + "Thiram" + ] + }, + { + "compound_id": "C11161", + "inchi": "InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H", + "name": "Ethidium bromide", + "names": [ + "Ethidium bromide", + "Homidium bromide" + ] + }, + { + "compound_id": "C11162", + "inchi": "InChI=1S/C26H22O10/c1-32-19-5-12(3-4-15(19)29)25-23(11-27)36-26-21(33-2)6-13(7-22(26)35-25)18-10-17(31)24-16(30)8-14(28)9-20(24)34-18/h3-10,23,25,27-30H,11H2,1-2H3/t23-,25-/m1/s1", + "name": "5'-Methoxyhydnocarpin-D", + "names": [ + "5'-Methoxyhydnocarpin-D" + ] + }, + { + "compound_id": "C11163", + "inchi": "InChI=1S/C18H16N2O2/c1-22-17-9-5-4-8-16(17)20-18(21)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,19,20,21)", + "name": "INF271", + "names": [ + "INF271" + ] + }, + { + "compound_id": "C11164", + "inchi": "InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H", + "name": "CCCP", + "names": [ + "CCCP", + "Carbonyl cyanide m-chlorophenyl hydrazone" + ] + }, + { + "compound_id": "C11165", + "inchi": "InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1", + "name": "Thiolactomycin", + "names": [ + "Thiolactomycin" + ] + }, + { + "compound_id": "C11166", + "inchi": "InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1", + "name": "SDS", + "names": [ + "SDS", + "Sodium dodecyl sulfate", + "Sodium lauryl sulfate" + ] + }, + { + "compound_id": "C11168", + "inchi": "InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3", + "name": "Tetrabenazine", + "names": [ + "Tetrabenazine" + ] + }, + { + "compound_id": "C11169", + "inchi": "InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)", + "name": "Sulfathiazole", + "names": [ + "Sulfathiazole" + ] + }, + { + "compound_id": "C11170", + "inchi": "InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10?,11+,14-/m1/s1", + "name": "Sulbenicillin", + "names": [ + "Sulbenicillin" + ] + }, + { + "compound_id": "C11171", + "inchi": "InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1", + "name": "Sodium deoxycholate", + "names": [ + "Sodium deoxycholate" + ] + }, + { + "compound_id": "C11172", + "inchi": "InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)", + "name": "Simazine", + "names": [ + "Simazine" + ] + }, + { + "compound_id": "C11173", + "inchi": "InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1", + "name": "SN-38", + "names": [ + "SN-38" + ] + }, + { + "compound_id": "C11174", + "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-/m1/s1", + "name": "1-Diphosinositol pentakisphosphate", + "names": [ + "1-Diphosinositol pentakisphosphate", + "D-myo-Inositol, 2,3,4,5,6-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate)", + "Diphospho-myo-inositol pentakisphosphate" + ] + }, + { + "compound_id": "C11175", + "inchi": "InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1", + "name": "S-(2,4-Dinitrophenyl)glutathione", + "names": [ + "S-(2,4-Dinitrophenyl)glutathione" + ] + }, + { + "compound_id": "C11177", + "inchi": "InChI=1S/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1", + "name": "Rhodamine 6G", + "names": [ + "Rhodamine 6G" + ] + }, + { + "compound_id": "C11178", + "inchi": "InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H", + "name": "Resazurin", + "names": [ + "Resazurin" + ] + }, + { + "compound_id": "C11179", + "inchi": "InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1", + "name": "Pyronine Y", + "names": [ + "Pyronine", + "Pyronine Y" + ] + }, + { + "compound_id": "C11180", + "inchi": "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)", + "name": "Pyrimethanil", + "names": [ + "Pyrimethanil" + ] + }, + { + "compound_id": "C11181", + "inchi": "InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2", + "name": "Proflavine", + "names": [ + "Proflavine" + ] + }, + { + "compound_id": "C11182", + "inchi": "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3", + "name": "Prochloraz", + "names": [ + "Prochloraz" + ] + }, + { + "compound_id": "C11184", + "inchi": "InChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)", + "name": "PMEG", + "names": [ + "9-((2-Phosphonylmethoxy)ethyl)guanine", + "PMEG" + ] + }, + { + "compound_id": "C11185", + "inchi": "InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H", + "name": "Nuarimol", + "names": [ + "Nuarimol" + ] + }, + { + "compound_id": "C11186", + "inchi": "InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-", + "name": "Nonactin", + "names": [ + "Nonactin" + ] + }, + { + "compound_id": "C11188", + "inchi": "InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)", + "name": "Neburon", + "names": [ + "Kloben", + "Neburon" + ] + }, + { + "compound_id": "C11189", + "inchi": "InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)", + "name": "Hoechst 33342", + "names": [ + "Hoe 33342", + "Hoechst 33342" + ] + }, + { + "compound_id": "C11190", + "inchi": "InChI=1S/C21H17N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11H,22-23H2,1H3;1H/q+1;/p-1", + "name": "Rhodamine 123", + "names": [ + "Rhodamine 123" + ] + }, + { + "compound_id": "C11191", + "inchi": "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-", + "name": "cis-(Z)-Flupenthixol", + "names": [ + "cis-(Z)-Flupenthixol" + ] + }, + { + "compound_id": "C11193", + "inchi": "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1", + "name": "R (+)-Propanolol", + "names": [ + "Dexpropranolol", + "R (+)-Propanolol", + "R-(+)-Propranolol" + ] + }, + { + "compound_id": "C11194", + "inchi": "InChI=1S/C26H36N4O4.2ClH/c1-19-15-33-16-20(2)29(19)25(31)13-27-9-5-23(6-10-27)24-7-11-28(12-8-24)14-26(32)30-21(3)17-34-18-22(30)4;;/h5-12,19-22H,13-18H2,1-4H3;2*1H/q+2;;/p-2", + "name": "Morfamquat", + "names": [ + "Morfamquat", + "Morfamquat dichloride" + ] + }, + { + "compound_id": "C11195", + "inchi": "InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2", + "name": "Mitoxantrone", + "names": [ + "Mitoxantrone" + ] + }, + { + "compound_id": "C11196", + "inchi": "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+", + "name": "Methomyl", + "names": [ + "Methomyl" + ] + }, + { + "compound_id": "C11198", + "inchi": "InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)", + "name": "Melitten", + "names": [ + "Melitten", + "Melittin" + ] + }, + { + "compound_id": "C11199", + "inchi": "InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1", + "name": "Cefpirome", + "names": [ + "Cefpirome", + "HR 810" + ] + }, + { + "compound_id": "C11200", + "inchi": "InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)", + "name": "Lenacil", + "names": [ + "Lenacil" + ] + }, + { + "compound_id": "C11201", + "inchi": "InChI=1S/C28H25N7.ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H", + "name": "Isometamidium chloride", + "names": [ + "Isometamidium chloride" + ] + }, + { + "compound_id": "C11202", + "inchi": "InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1", + "name": "Cefclidin", + "names": [ + "Cefclidin" + ] + }, + { + "compound_id": "C11203", + "inchi": "InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1", + "name": "Cefozopran", + "names": [ + "Cefozopran", + "SCE 2787" + ] + }, + { + "compound_id": "C11205", + "inchi": "InChI=1S/C10H24N2.C3H6Br2/c1-11(2)9-7-5-6-8-10-12(3)4;4-2-1-3-5/h5-10H2,1-4H3;1-3H2", + "name": "Hexadimethrine bromide", + "names": [ + "Hexadimethrine bromide", + "Polybrene" + ] + }, + { + "compound_id": "C11206", + "inchi": "InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)", + "name": "p-Methylaminophenol sulfate", + "names": [ + "p-Methylaminophenol sulfate" + ] + }, + { + "compound_id": "C11207", + "inchi": "InChI=1S/C16H19N3/c1-2-3-9-16(12-17,13-19-11-10-18-14-19)15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,13H2,1H3", + "name": "Fenapanil", + "names": [ + "Fenapanil", + "Phenapronil" + ] + }, + { + "compound_id": "C11208", + "inchi": "InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)", + "name": "Iprodione", + "names": [ + "Iprodione", + "Rovral", + "Rovrol" + ] + }, + { + "compound_id": "C11210", + "inchi": "InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32)/b20-11?,24-12-/t13-,17-/m1/s1", + "name": "Cefoselis", + "names": [ + "Cefoselis" + ] + }, + { + "compound_id": "C11212", + "inchi": "InChI=1S/C26H27N3O4S2/c1-16-21(25(30)32-14-19-4-8-27-9-5-19)23(24-18(3)34-12-13-35-24)22(17(2)29-16)26(31)33-15-20-6-10-28-11-7-20/h4-11,23,29H,12-15H2,1-3H3", + "name": "NIK250", + "names": [ + "NIK250" + ] + }, + { + "compound_id": "C11213", + "inchi": "InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41?,42-,43+,44-,45?,46-,47?,49-,50-,51-,52?/m0/s1", + "name": "SDZ PSC 833", + "names": [ + "3'-Keto-bmt(1)-val(2)-cyclosporin A", + "SDZ PSC 833", + "Valspodar" + ] + }, + { + "compound_id": "C11214", + "inchi": "InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)", + "name": "Thiocarbohydrazide", + "names": [ + "1,3-Diamino-2-thiourea", + "Thiocarbohydrazide" + ] + }, + { + "compound_id": "C11215", + "inchi": "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3", + "name": "Arsenate ion", + "names": [ + "Arsenate", + "Arsenate ion" + ] + }, + { + "compound_id": "C11216", + "inchi": "InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3", + "name": "Zwittergent 3-14", + "names": [ + "Zwittergent 3-14" + ] + }, + { + "compound_id": "C11217", + "inchi": "InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)", + "name": "p-Fluorophenylalanine", + "names": [ + "p-Fluorophenylalanine" + ] + }, + { + "compound_id": "C11218", + "inchi": "InChI=1S/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1", + "name": "Gramicidin S", + "names": [ + "Gramicidin S" + ] + }, + { + "compound_id": "C11219", + "inchi": "InChI=1S/C14H14Cl2N2O.HNO3/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;2-1(3)4/h2-6,8,10,14H,1,7,9H2;(H,2,3,4)", + "name": "Imazalil nitrate", + "names": [ + "Imazalil nitrate" + ] + }, + { + "compound_id": "C11221", + "inchi": "InChI=1S/C22H33N3O5S/c1-15(2)12-18(24-20(27)17(23-14-26)10-11-31-4)21(28)25-19(22(29)30-3)13-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1", + "name": "Formylmethionyl-leucyl-phenylalanine methyl ester", + "names": [ + "FMLP OMe", + "Formylmethionyl-leucyl-phenylalanine methyl ester" + ] + }, + { + "compound_id": "C11222", + "inchi": "InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1", + "name": "Geldanamycin", + "names": [ + "Geldanamycin" + ] + }, + { + "compound_id": "C11223", + "inchi": "InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3", + "name": "Ferbam", + "names": [ + "Ferbam", + "Ferric dimethyldithiocarbamate" + ] + }, + { + "compound_id": "C11224", + "inchi": "InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)", + "name": "Fenuron", + "names": [ + "Fenuron" + ] + }, + { + "compound_id": "C11225", + "inchi": "InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1", + "name": "Herbimycin", + "names": [ + "Herbimycin" + ] + }, + { + "compound_id": "C11226", + "inchi": "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H", + "name": "Fenarimol", + "names": [ + "Fenarimol" + ] + }, + { + "compound_id": "C11227", + "inchi": "InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1", + "name": "Ethionine", + "names": [ + "Ethionine" + ] + }, + { + "compound_id": "C11228", + "inchi": "InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1", + "name": "Estramustine", + "names": [ + "Estramustine" + ] + }, + { + "compound_id": "C11229", + "inchi": "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1", + "name": "Epoxiconazole", + "names": [ + "Epoxiconazole" + ] + }, + { + "compound_id": "C11230", + "inchi": "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1", + "name": "Epirubicin", + "names": [ + "Epirubicin" + ] + }, + { + "compound_id": "C11231", + "inchi": "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1", + "name": "Docetaxel anhydrous", + "names": [ + "Docetaxel", + "Docetaxel anhydrous" + ] + }, + { + "compound_id": "C11232", + "inchi": "InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)", + "name": "Diphenylcarbazide", + "names": [ + "Diphenylcarbazide" + ] + }, + { + "compound_id": "C11233", + "inchi": "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3", + "name": "Dimethyl phthalate", + "names": [ + "Dimethyl phthalate" + ] + }, + { + "compound_id": "C11234", + "inchi": "InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)", + "name": "Difloxacin", + "names": [ + "Difloxacin" + ] + }, + { + "compound_id": "C11235", + "inchi": "InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3", + "name": "Diclobutrazol", + "names": [ + "Diclobutrazol" + ] + }, + { + "compound_id": "C11236", + "inchi": "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3", + "name": "Niguldipine", + "names": [ + "Dexniguldipine", + "Niguldipine" + ] + }, + { + "compound_id": "C11237", + "inchi": "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", + "name": "17beta-Estradiol 17-(beta-D-glucuronide)", + "names": [ + "17beta-Estradiol 17-(beta-D-glucuronide)", + "Estradiol-17beta-glucuronide", + "Glucuronosylestradiol" + ] + }, + { + "compound_id": "C11238", + "inchi": "InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)", + "name": "GF 109203X", + "names": [ + "Bisindolylmaleimide I", + "GF 109203X" + ] + }, + { + "compound_id": "C11239", + "inchi": "InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+", + "name": "MK 571", + "names": [ + "MK 571", + "Verlukast" + ] + }, + { + "compound_id": "C11240", + "inchi": "InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)", + "name": "Rufloxacin", + "names": [ + "Rufloxacin" + ] + }, + { + "compound_id": "C11242", + "inchi": "InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1", + "name": "Bacterio-chlorophyll a", + "names": [ + "Bacterio-chlorophyll a" + ] + }, + { + "compound_id": "C11243", + "inchi": "InChI=1S/C55H73N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h13,25,27-32,34-35,40,51H,14-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+,39-13-;/t31-,32-,34-,35+,40+,51-;/m1./s1", + "name": "Bacterio-chlorophyll b", + "names": [ + "Bacterio-chlorophyll b" + ] + }, + { + "compound_id": "C11244", + "inchi": null, + "name": "Bacterio-chlorophyll c", + "names": [ + "Bacterio-chlorophyll c", + "Bacterio-chlorophyll d", + "Bacterio-chlorophyll e" + ] + }, + { + "compound_id": "C11245", + "inchi": "InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/p-1/t11-,15+,20-,21-,22+,23+,24+,25-,26-,27-,28?,30-,31+,34?,35-/m1/s1", + "name": "Glucuronosyletoposide", + "names": [ + "Etoposide glucuronide", + "Glucuronosyletoposide" + ] + }, + { + "compound_id": "C11246", + "inchi": "InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/p-1/t14-,15-,16+,17-,18+,19+,20+,21?,23+,24+,25-,26+,28?,29-,30-/m1/s1", + "name": "6alpha-Glucuronosylhyodeoxycholate", + "names": [ + "6alpha-Glucuronosylhyodeoxycholate" + ] + }, + { + "compound_id": "C11248", + "inchi": "InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12-,13+/m0/s1", + "name": "DU-6859", + "names": [ + "DU-6859", + "Sitafloxacin" + ] + }, + { + "compound_id": "C11249", + "inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2", + "name": "Cyclohexane", + "names": [ + "Cyclohexane" + ] + }, + { + "compound_id": "C11250", + "inchi": "InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3", + "name": "Demecolcine", + "names": [ + "Colcemid", + "Demecolcine" + ] + }, + { + "compound_id": "C11251", + "inchi": "InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1", + "name": "Cholesteryl palmitate", + "names": [ + "Cholesteryl palmitate" + ] + }, + { + "compound_id": "C11252", + "inchi": "InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3", + "name": "Chloroneb", + "names": [ + "Chloroneb" + ] + }, + { + "compound_id": "C11253", + "inchi": "InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1", + "name": "Cefsulodin", + "names": [ + "Cefsulodin" + ] + }, + { + "compound_id": "C11254", + "inchi": "InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1", + "name": "Carmine", + "names": [ + "Carmine", + "Carminic acid" + ] + }, + { + "compound_id": "C11255", + "inchi": "InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)", + "name": "Carboxin", + "names": [ + "Carboxin" + ] + }, + { + "compound_id": "C11256", + "inchi": "InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1", + "name": "Calpeptin", + "names": [ + "Calpeptin", + "N-Cbz-leu-nleu-al" + ] + }, + { + "compound_id": "C11257", + "inchi": "InChI=1S/C46H46N2O23/c1-25(49)60-21-64-41(55)17-47(18-42(56)65-22-61-26(2)50)15-31-11-35-39(13-37(31)68-29(5)53)70-40-14-38(69-30(6)54)32(12-36(40)46(35)34-10-8-7-9-33(34)45(59)71-46)16-48(19-43(57)66-23-62-27(3)51)20-44(58)67-24-63-28(4)52/h7-14H,15-24H2,1-6H3", + "name": "Calcein AM", + "names": [ + "Calcein AM" + ] + }, + { + "compound_id": "C11258", + "inchi": "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3", + "name": "Bitertanol", + "names": [ + "Bitertanol" + ] + }, + { + "compound_id": "C11259", + "inchi": "InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7?,10?,11-,12+/m1/s1", + "name": "Bicozamycin", + "names": [ + "Bicozamycin", + "Bicyclomycin" + ] + }, + { + "compound_id": "C11260", + "inchi": "InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3", + "name": "2-Amino-2-methyl-1,3-propandiol", + "names": [ + "2-Amino-2-methyl-1,3-propandiol", + "Aminomethyl propanediol" + ] + }, + { + "compound_id": "C11261", + "inchi": "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)", + "name": "Amitrole", + "names": [ + "2-Amino-1,3,4-triazole", + "3-Amino-1,2,4-triazole", + "Aminotriazole", + "Amitrole" + ] + }, + { + "compound_id": "C11262", + "inchi": "InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1", + "name": "5-Azacytidine", + "names": [ + "5-Azacytidine", + "Azacitidine" + ] + }, + { + "compound_id": "C11263", + "inchi": "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)", + "name": "6-Benzylaminopurine", + "names": [ + "6-Benzylaminopurine", + "N-Benzyladenine", + "N6-Benzyladenine" + ] + }, + { + "compound_id": "C11264", + "inchi": "InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H", + "name": "7-Hydroxyflavone", + "names": [ + "7-Hydroxy-2-phenyl-4-benzopyrone", + "7-Hydroxyflavone" + ] + }, + { + "compound_id": "C11265", + "inchi": "InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)15(14-13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12)/t3-,5-,6-,9-/m1/s1", + "name": "8-Azaadenosine", + "names": [ + "8-Azaadenosine" + ] + }, + { + "compound_id": "C11266", + "inchi": "InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1", + "name": "8-Bromoadenosine", + "names": [ + "8-Bromoadenosine" + ] + }, + { + "compound_id": "C11268", + "inchi": "InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1", + "name": "Biapenem", + "names": [ + "Biapenem" + ] + }, + { + "compound_id": "C11269", + "inchi": "InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)", + "name": "Virginiamycin S1", + "names": [ + "Virginiamycin S1" + ] + }, + { + "compound_id": "C11271", + "inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3", + "name": "n-Hexane", + "names": [ + "Hexane", + "n-Hexane" + ] + }, + { + "compound_id": "C11272", + "inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H", + "name": "Fluorobenzene", + "names": [ + "Fluorobenzene" + ] + }, + { + "compound_id": "C11273", + "inchi": "InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H", + "name": "Acriflavine", + "names": [ + "Acriflavine" + ] + }, + { + "compound_id": "C11274", + "inchi": "InChI=1S/C13H7Cl4NO2/c14-8-7(12(19)11(17)10(16)9(8)15)13(20)18-6-4-2-1-3-5-6/h1-5,19H,(H,18,20)", + "name": "Tetrachlorosalicylanilide", + "names": [ + "Tetrachlorosalicylanilide" + ] + }, + { + "compound_id": "C11275", + "inchi": "InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1", + "name": "Cetyltrimethylammonium bromide", + "names": [ + "Cetrimonium bromide", + "Cetyltrimethylammonium bromide", + "Trimethylcetylammonium bromide" + ] + }, + { + "compound_id": "C11276", + "inchi": "InChI=1S/C9H13ClN6O2.ClH/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10;/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14);1H", + "name": "Nimustine hydrochloride", + "names": [ + "ACNU", + "Nimustine hydrochloride" + ] + }, + { + "compound_id": "C11277", + "inchi": "InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)", + "name": "Adefovir", + "names": [ + "9-(2-Phosphonylmethoxyethyl)adenine", + "Adefovir", + "PMEA" + ] + }, + { + "compound_id": "C11278", + "inchi": "InChI=1S/C27H29N3O13S/c1-40-13-6-14-19(22-18(13)9-2-4-12(31)17(9)25(39)42-22)20-21(35)27(43-26(20)41-14)44-8-11(23(36)29-7-16(33)34)30-15(32)5-3-10(28)24(37)38/h6,10-11,20-21,26-27,35H,2-5,7-8,28H2,1H3,(H,29,36)(H,30,32)(H,33,34)(H,37,38)/t10?,11?,20?,21-,26?,27+/m1/s1", + "name": "Aflatoxin B1exo-8,9-epoxide-GSH", + "names": [ + "8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1", + "Aflatoxin B1exo-8,9-epoxide-GSH" + ] + }, + { + "compound_id": "C11279", + "inchi": "InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1", + "name": "Cetrimide", + "names": [ + "Cetrimide", + "Tetradecyl trimethyl ammonium bromide" + ] + }, + { + "compound_id": "C11280", + "inchi": "InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)", + "name": "Dolastatin 10", + "names": [ + "Dolastatin 10" + ] + }, + { + "compound_id": "C11281", + "inchi": "InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1", + "name": "Anisomycin", + "names": [ + "Anisomycin" + ] + }, + { + "compound_id": "C11282", + "inchi": "InChI=1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,23,33H,4,13-14H2,1-3H3,(H,32,36)", + "name": "Azidopine", + "names": [ + "Azidopine" + ] + }, + { + "compound_id": "C11283", + "inchi": "InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2", + "name": "2,4-Dinitrophenylhydrazine", + "names": [ + "2,4-Dinitrophenylhydrazine" + ] + }, + { + "compound_id": "C11284", + "inchi": "InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)", + "name": "Indolebutyric acid", + "names": [ + "IBA", + "Indole-3-butyric acid", + "Indolebutyric acid" + ] + }, + { + "compound_id": "C11285", + "inchi": "InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3", + "name": "Tridemorph", + "names": [ + "Tridemorph" + ] + }, + { + "compound_id": "C11288", + "inchi": "InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1", + "name": "16alpha,17beta-Estriol 3-(beta-D-glucuronide)", + "names": [ + "16alpha,17beta-Estriol 3-(beta-D-glucuronide)" + ] + }, + { + "compound_id": "C11289", + "inchi": "InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", + "name": "17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)", + "names": [ + "17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)", + "Estradiol 17beta-glucuronide 3-sulfate" + ] + }, + { + "compound_id": "C11290", + "inchi": "InChI=1S/C13H10ClNO2/c14-11-8-4-7-10(12(11)16)13(17)15-9-5-2-1-3-6-9/h1-8,16H,(H,15,17)", + "name": "3-Chlorosalicylanilide", + "names": [ + "3-Chlorosalicylanilide" + ] + }, + { + "compound_id": "C11292", + "inchi": "InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1", + "name": "N-Acetylleucyl-leucyl-methioninal", + "names": [ + "N-Acetylleucyl-leucyl-methioninal" + ] + }, + { + "compound_id": "C11293", + "inchi": "InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3", + "name": "Etaconazole", + "names": [ + "CGA 64251", + "Etaconazole" + ] + }, + { + "compound_id": "C11294", + "inchi": "InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1", + "name": "Irinotecan hydrochloride", + "names": [ + "CPT 11", + "CPT-11", + "Irinotecan hydrochloride" + ] + }, + { + "compound_id": "C11295", + "inchi": "InChI=1S/C35H58N6O7/c1-19(2)14-27(37-23(9)42)32(45)39-29(16-21(5)6)34(47)41-30(17-22(7)8)35(48)40-28(15-20(3)4)33(46)38-26(31(36)44)18-24-10-12-25(43)13-11-24/h10-13,19-22,26-30,43H,14-18H2,1-9H3,(H2,36,44)(H,37,42)(H,38,46)(H,39,45)(H,40,48)(H,41,47)", + "name": "N-Acetyl-leu-leu-leu-leu-tyr-amide", + "names": [ + "N-Acetyl-leu-leu-leu-leu-tyr-amide", + "NAc-L4Y-amide" + ] + }, + { + "compound_id": "C11296", + "inchi": "InChI=1S/C29H47N5O6/c1-16(2)12-23(31-19(7)35)27(38)33-25(14-18(5)6)29(40)34-24(13-17(3)4)28(39)32-22(26(30)37)15-20-8-10-21(36)11-9-20/h8-11,16-18,22-25,36H,12-15H2,1-7H3,(H2,30,37)(H,31,35)(H,32,39)(H,33,38)(H,34,40)", + "name": "N-Acetyl-leu-leu-leu-tyr-amide", + "names": [ + "N-Acetyl-leu-leu-leu-tyr-amide", + "NAc-L3Y-amide" + ] + }, + { + "compound_id": "C11297", + "inchi": "InChI=1S/C23H36N4O5/c1-13(2)10-19(25-15(5)28)22(31)27-20(11-14(3)4)23(32)26-18(21(24)30)12-16-6-8-17(29)9-7-16/h6-9,13-14,18-20,29H,10-12H2,1-5H3,(H2,24,30)(H,25,28)(H,26,32)(H,27,31)", + "name": "N-Acetyl-leu-leu-tyr-amide", + "names": [ + "N-Acetyl-leu-leu-tyr-amide", + "NAc-LLY-amide" + ] + }, + { + "compound_id": "C11298", + "inchi": "InChI=1S/C23H35N3O5/c1-5-6-12-18(24-15-27)21(28)25-19(13-16(2)3)22(29)26-20(23(30)31-4)14-17-10-8-7-9-11-17/h7-11,15-16,18-20H,5-6,12-14H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)", + "name": "N-Formyl-norleucyl-leucyl-phenylalanyl-methylester", + "names": [ + "N-Formyl-norleucyl-leucyl-phenylalanyl-methylester", + "f-NLP-ME" + ] + }, + { + "compound_id": "C11299", + "inchi": "InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19?,20-,26-/m1/s1", + "name": "Virginiamycin M1", + "names": [ + "Mikamycin A", + "Pristinamycin IIA", + "Streptogramin A", + "Virginiamycin M1" + ] + }, + { + "compound_id": "C11300", + "inchi": "InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1", + "name": "Soraphen A", + "names": [ + "Soraphen A" + ] + }, + { + "compound_id": "C11301", + "inchi": "InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1", + "name": "Sulfoglycolithocholate", + "names": [ + "Glycolithocholate 3-sulfate", + "Sulfoglycolithocholate", + "Sulfolithocholylglycine" + ] + }, + { + "compound_id": "C11302", + "inchi": "InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1", + "name": "S-Octyl GSH", + "names": [ + "S-Octyl GSH", + "S-Octyl glutathione" + ] + }, + { + "compound_id": "C11303", + "inchi": "InChI=1S/C20H37N3O6S/c1-2-3-4-5-6-7-8-9-12-30-14-16(19(27)22-13-18(25)26)23-17(24)11-10-15(21)20(28)29/h15-16H,2-14,21H2,1H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t15-,16-/m0/s1", + "name": "S-Decyl GSH", + "names": [ + "S-Decyl GSH", + "S-Decyl glutathione" + ] + }, + { + "compound_id": "C11304", + "inchi": "InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20?,21+,22-,23-,25?/m0/s1", + "name": "S-(PGA1)-glutathione", + "names": [ + "S-(PGA1)-glutathione" + ] + }, + { + "compound_id": "C11305", + "inchi": "InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1", + "name": "Triphenyltetrazolium chloride", + "names": [ + "2,3,5-Triphenyltetrazolium chloride", + "Triphenyltetrazolium chloride" + ] + }, + { + "compound_id": "C11306", + "inchi": "InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1", + "name": "Acetylleucyl-leucyl-norleucinal", + "names": [ + "Acetylleucyl-leucyl-norleucinal" + ] + }, + { + "compound_id": "C11307", + "inchi": "InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1", + "name": "Cetylpyridinium chloride", + "names": [ + "Cetylpyridinium chloride" + ] + }, + { + "compound_id": "C11308", + "inchi": "InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1", + "name": "Chymostatin", + "names": [ + "Chymostatin" + ] + }, + { + "compound_id": "C11309", + "inchi": "InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16?,17+,18+,22-,27-,29?/m0/s1", + "name": "Calcimycin", + "names": [ + "Calcimycin", + "Ionophore A23187" + ] + }, + { + "compound_id": "C11310", + "inchi": "InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1", + "name": "1-Methyl-4-phenylpyridinium", + "names": [ + "1-Methyl-4-phenylpyridinium", + "Cyperquat", + "N-Methyl-4-phenylpyridine" + ] + }, + { + "compound_id": "C11311", + "inchi": "InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1", + "name": "Oligomycin A", + "names": [ + "Oligomycin A" + ] + }, + { + "compound_id": "C11312", + "inchi": "InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m1/s1", + "name": "Oligomycin B", + "names": [ + "Oligomycin B" + ] + }, + { + "compound_id": "C11313", + "inchi": "InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1", + "name": "Oligomycin C", + "names": [ + "Oligomycin C" + ] + }, + { + "compound_id": "C11314", + "inchi": "InChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m1/s1", + "name": "Oligomycin D", + "names": [ + "Oligomycin D", + "Rutamycin" + ] + }, + { + "compound_id": "C11315", + "inchi": "InChI=1S/C18H22N6O7S/c19-12(18(30)31)5-6-15(26)22-13(17(29)21-7-16(27)28)8-32-9-14(25)10-1-3-11(4-2-10)23-24-20/h1-4,12-13H,5-9,19H2,(H,21,29)(H,22,26)(H,27,28)(H,30,31)/t12-,13-/m0/s1", + "name": "S-(4-Azidophenacyl)glutathione", + "names": [ + "S-(4-Azidophenacyl)glutathione", + "S-(p-Azidophenacyl)glutathione" + ] + }, + { + "compound_id": "C11316", + "inchi": "InChI=1/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1", + "name": "Tetraphenylarsonium", + "names": [ + "Tetraphenylarsonium" + ] + }, + { + "compound_id": "C11317", + "inchi": "InChI=1S/C20H40O4/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21/h19,21-22H,2-18H2,1H3", + "name": "Solutol HS 15", + "names": [ + "Solutol HS 15" + ] + }, + { + "compound_id": "C11318", + "inchi": "InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1", + "name": "DAMGO", + "names": [ + "(D-Ala(2)-mephe(4)-gly-ol(5))enkephalin", + "DAMGO", + "Tyr-D-Ala-Gly-MePhe-Gly-ol" + ] + }, + { + "compound_id": "C11319", + "inchi": "InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)", + "name": "3,5-Dinitrosalicylic acid", + "names": [ + "3,5-Dinitrosalicylic acid" + ] + }, + { + "compound_id": "C11320", + "inchi": "InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m1./s1", + "name": "D-Ornithine hydrochloride", + "names": [ + "D-Ornithine hydrochloride" + ] + }, + { + "compound_id": "C11321", + "inchi": "InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1", + "name": "3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate", + "names": [ + "3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate", + "CHAPS" + ] + }, + { + "compound_id": "C11322", + "inchi": "InChI=1S/C8HCl4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17)", + "name": "4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole", + "names": [ + "4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole" + ] + }, + { + "compound_id": "C11323", + "inchi": "InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)", + "name": "Chromotropic acid", + "names": [ + "4,5-Dihydroxynaphthalene-2,7-disulfonic acid", + "Chromotropic acid" + ] + }, + { + "compound_id": "C11324", + "inchi": "InChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10-11,21,23H,9H2,1-2H3", + "name": "6-(3,3-Dimethylallyl)chrysin", + "names": [ + "6-(3,3-DMA)chrysin", + "6-(3,3-Dimethylallyl)chrysin" + ] + }, + { + "compound_id": "C11325", + "inchi": "InChI=1S/C20H18O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3", + "name": "8-(3,3-Dimethylallyl)chrysin", + "names": [ + "8-(3,3-DMA)chrysin", + "8-(3,3-Dimethylallyl)chrysin" + ] + }, + { + "compound_id": "C11326", + "inchi": "InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)", + "name": "8-Anilino-1-naphthalene sulfonic acid", + "names": [ + "1-Anilino-8-naphthalenesulfonate", + "8-Anilino-1-naphthalene sulfonic acid", + "ANS" + ] + }, + { + "compound_id": "C11327", + "inchi": "InChI=1S/C6H7NO4S/c8-12(9,10)5-11-6-3-1-2-4-7-6/h1-4H,5H2,(H,8,9,10)", + "name": "2-Pyridyl hydroxymethane sulfonic acid", + "names": [ + "2-Pyridyl hydroxymethane sulfonic acid" + ] + }, + { + "compound_id": "C11328", + "inchi": "InChI=1S/C18H35N3O4/c1-6-7-8-14(18(24)25)20-17(23)15(10-12(4)5)21-16(22)13(19)9-11(2)3/h11-15H,6-10,19H2,1-5H3,(H,20,23)(H,21,22)(H,24,25)/t13-,14?,15?/m0/s1", + "name": "Leucyl-leucyl-norleucine", + "names": [ + "Leucyl-leucyl-norleucine" + ] + }, + { + "compound_id": "C11329", + "inchi": "InChI=1S/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)/t6-,7-,8-/m0/s1", + "name": "N-Acetyl-ala-ala-ala-methylester", + "names": [ + "N-Acetyl-ala-ala-ala-methylester", + "NAc-AAA-ME" + ] + }, + { + "compound_id": "C11330", + "inchi": "InChI=1S/C23H35N3O6/c1-13(2)10-18(24-15(5)27)21(29)25-19(11-14(3)4)22(30)26-20(23(31)32)12-16-6-8-17(28)9-7-16/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H,24,27)(H,25,29)(H,26,30)(H,31,32)", + "name": "N-Acetyl-leu-leu-tyr", + "names": [ + "N-Acetyl-leu-leu-tyr", + "NAc-LLY" + ] + }, + { + "compound_id": "C11331", + "inchi": "InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1", + "name": "Leu-leu-tyr", + "names": [ + "LLY", + "Leu-leu-tyr" + ] + }, + { + "compound_id": "C11332", + "inchi": "InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)", + "name": "Leucyl-leucine", + "names": [ + "Leucyl-leucine" + ] + }, + { + "compound_id": "C11333", + "inchi": "InChI=1S/C14H26N2O4/c1-8(2)6-11(15-10(5)17)13(18)16-12(14(19)20)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)(H,19,20)", + "name": "N-Acetyl-leucyl-leucine", + "names": [ + "N-Acetyl-leucyl-leucine" + ] + }, + { + "compound_id": "C11334", + "inchi": null, + "name": "Gentamicin sulfate", + "names": [ + "Gentamicin C complex sulfate", + "Gentamicin sulfate", + "Gentamycin sulfate" + ] + }, + { + "compound_id": "C11335", + "inchi": "InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1", + "name": "N,N,N-Trimethylmethanaminium chloride", + "names": [ + "N,N,N-Trimethylmethanaminium chloride", + "Tetramethylammonium chloride" + ] + }, + { + "compound_id": "C11336", + "inchi": "InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1", + "name": "Mersalyl acid", + "names": [ + "Mersalyl acid" + ] + }, + { + "compound_id": "C11337", + "inchi": "InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H", + "name": "Tetramisole hydrochloride", + "names": [ + "Tetramisole hydrochloride" + ] + }, + { + "compound_id": "C11338", + "inchi": "InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1", + "name": "Bornyl acetate", + "names": [ + "(1R,2S,4R)-(+)-Bornyl acetate", + "Bornyl acetate" + ] + }, + { + "compound_id": "C11339", + "inchi": "InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)", + "name": "Antimycin A1", + "names": [ + "Antimycin A1" + ] + }, + { + "compound_id": "C11340", + "inchi": "InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4", + "name": "Antimony potassium tartrate", + "names": [ + "Antimony potassium tartrate" + ] + }, + { + "compound_id": "C11341", + "inchi": "InChI=1S/C21H19NO3/c1-15(23)22-20(13-16-7-3-2-4-8-16)21(24)25-19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20H,13H2,1H3,(H,22,23)", + "name": "N-Acetylphenylalanine beta-naphthyl ester", + "names": [ + "N-Acetyl-DL-phenylalanine beta-naphthyl ester", + "N-Acetylphenylalanine beta-naphthyl ester" + ] + }, + { + "compound_id": "C11342", + "inchi": "InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)", + "name": "Oxolinic acid", + "names": [ + "Oxolinic acid" + ] + }, + { + "compound_id": "C11343", + "inchi": "InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)", + "name": "Salicylhydroxamic acid", + "names": [ + "Salicylhydroxamic acid" + ] + }, + { + "compound_id": "C11344", + "inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3", + "name": "Methyl tert-butyl ether", + "names": [ + "Methyl tert-butyl ether", + "tert-Butyl methyl ether" + ] + }, + { + "compound_id": "C11345", + "inchi": "InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)", + "name": "Triazolealanine", + "names": [ + "Triazolealanine" + ] + }, + { + "compound_id": "C11346", + "inchi": "InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1", + "name": "16alpha,17beta-Estriol 17-(beta-D-glucuronide)", + "names": [ + "16alpha,17beta-Estriol 17-(beta-D-glucuronide)" + ] + }, + { + "compound_id": "C11347", + "inchi": "InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1", + "name": "S-Methyl GSH", + "names": [ + "S-Methyl GSH", + "S-Methylglutathione" + ] + }, + { + "compound_id": "C11348", + "inchi": "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1", + "name": "(S)-1-Phenylethanol", + "names": [ + "(S)-1-Phenethyl alcohol", + "(S)-1-Phenylethanol" + ] + }, + { + "compound_id": "C11349", + "inchi": null, + "name": "Amino group donor", + "names": [ + "Amino group donor" + ] + }, + { + "compound_id": "C11350", + "inchi": "InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m0/s1", + "name": "(+)-trans-alpha-Irone", + "names": [ + "(+)-trans-alpha-Irone" + ] + }, + { + "compound_id": "C11351", + "inchi": "InChI=1S/C7H17N4O7P/c8-1-3(12)2(11-7(9)10)6(5(14)4(1)13)18-19(15,16)17/h1-6,12-14H,8H2,(H4,9,10,11)(H2,15,16,17)/t1-,2+,3-,4+,5-,6-/m0/s1", + "name": "N1-Amidinostreptamine 6-phosphate", + "names": [ + "1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 6-phosphate", + "N1-Amidinostreptamine 6-phosphate" + ] + }, + { + "compound_id": "C11352", + "inchi": "InChI=1S/C6H6Cl2/c7-5-3-1-2-4-6(5)8/h1-6H", + "name": "5,6-Dichloro-1,3-cyclohexadiene", + "names": [ + "5,6-Dichloro-1,3-cyclohexadiene" + ] + }, + { + "compound_id": "C11353", + "inchi": "InChI=1S/C5H5ClO3/c1-2-3(6)4(7)5(8)9/h2,7H,1H2,(H,8,9)/b4-3+", + "name": "2-Hydroxy-3-chloropenta-2,4-dienoate", + "names": [ + "2-Hydroxy-3-chloropenta-2,4-dienoate" + ] + }, + { + "compound_id": "C11354", + "inchi": "InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4+", + "name": "2-Hydroxy-cis-hex-2,4-dienoate", + "names": [ + "2-Hydroxy-cis-hex-2,4-dienoate" + ] + }, + { + "compound_id": "C11355", + "inchi": "InChI=1S/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1", + "name": "4-Amino-4-deoxychorismate", + "names": [ + "4-Amino-4-deoxychorismate", + "ADC" + ] + }, + { + "compound_id": "C11356", + "inchi": "InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15-", + "name": "trans,trans,cis-Geranylgeranyl diphosphate", + "names": [ + "2-cis,6-trans,10-trans-Geranylgeranyl diphosphate", + "Geranylneryl diphosphate", + "trans,trans,cis-Geranylgeranyl diphosphate", + "trans,trans,cis-Geranylgeranyl pyrophosphate" + ] + }, + { + "compound_id": "C11357", + "inchi": "InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1", + "name": "(-)-Anabasine", + "names": [ + "(-)-Anabasine" + ] + }, + { + "compound_id": "C11358", + "inchi": "InChI=1S/C13H24N2O/c16-13(9-11-5-1-3-7-14-11)10-12-6-2-4-8-15-12/h11-12,14-15H,1-10H2/t11-,12-/m1/s1", + "name": "(-)-Anaferine", + "names": [ + "(-)-Anaferine" + ] + }, + { + "compound_id": "C11359", + "inchi": "InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m0/s1", + "name": "(-)-Hygrine", + "names": [ + "(-)-Hygrine" + ] + }, + { + "compound_id": "C11360", + "inchi": "InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m1/s1", + "name": "(+)-Nornicotine", + "names": [ + "(+)-Nornicotine" + ] + }, + { + "compound_id": "C11361", + "inchi": "InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1", + "name": "N-Acetylleukotriene E4", + "names": [ + "N-Acetylleukotriene E4" + ] + }, + { + "compound_id": "C11362", + "inchi": "InChI=1S/C35H44N6O5/c1-22(2)17-29(40-35(46)41-15-9-3-4-10-16-41)32(42)38-30(18-23-20-36-27-13-7-5-11-25(23)27)33(43)39-31(34(44)45)19-24-21-37-28-14-8-6-12-26(24)28/h5-8,11-14,20-22,29-31,36-37H,3-4,9-10,15-19H2,1-2H3,(H,38,42)(H,39,43)(H,40,46)(H,44,45)/t29-,30+,31+/m0/s1", + "name": "BQ 485", + "names": [ + "BQ 485", + "Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp" + ] + }, + { + "compound_id": "C11363", + "inchi": "InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)", + "name": "Sulfobromophthalein", + "names": [ + "Sulfobromophthalein" + ] + }, + { + "compound_id": "C11365", + "inchi": "InChI=1S/C33H40N4O7/c1-3-22-23-16-21(44-32(42)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26(25(19-38)30(37)39)33(43,4-2)31(40)41/h8-9,16-17,20,38,43H,3-7,10-15,18-19H2,1-2H3,(H,40,41)/p-1/t33-/m0/s1", + "name": "CPT-11 carboxylate form", + "names": [ + "CPT-11 carboxylate form" + ] + }, + { + "compound_id": "C11366", + "inchi": "InChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/p-1/t22-/m0/s1", + "name": "SN-38 carboxylate form", + "names": [ + "SN-38 carboxylate form" + ] + }, + { + "compound_id": "C11367", + "inchi": "InChI=1/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20+,21+,22-,23-,25?/m0/s1/f/h32-33,37,39,42H", + "name": "GSH-prostaglandin A1", + "names": [ + "GSH-prostaglandin A1" + ] + }, + { + "compound_id": "C11368", + "inchi": "InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)", + "name": "Grepafloxacin", + "names": [ + "Grepafloxacin" + ] + }, + { + "compound_id": "C11369", + "inchi": "InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)", + "name": "Fluo-3", + "names": [ + "Fluo-3" + ] + }, + { + "compound_id": "C11370", + "inchi": "InChI=1S/C16H22N4O8S/c17-9(16(27)28)1-2-11(21)19-10(15(26)18-7-14(24)25)8-29-6-5-20-12(22)3-4-13(20)23/h3-4,9-10H,1-2,5-8,17H2,(H,18,26)(H,19,21)(H,24,25)(H,27,28)/t9-,10-/m0/s1", + "name": "N-Ethylmaleimide-S-glutathione", + "names": [ + "N-Ethylmaleimide-S-glutathione" + ] + }, + { + "compound_id": "C11371", + "inchi": "InChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)", + "name": "Nafenopin", + "names": [ + "Nafenopin" + ] + }, + { + "compound_id": "C11372", + "inchi": "InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1", + "name": "ICI D1694", + "names": [ + "ICI D1694", + "Raltitrexed", + "Tomudex", + "ZD1694" + ] + }, + { + "compound_id": "C11373", + "inchi": "InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1", + "name": "Temocaprilat", + "names": [ + "RS 5139", + "Temocaprilat" + ] + }, + { + "compound_id": "C11374", + "inchi": "InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1", + "name": "GW1843", + "names": [ + "1843U89", + "GW1843" + ] + }, + { + "compound_id": "C11375", + "inchi": "InChI=1S/C28H30N2O12/c1-3-12-13-7-11(41-26-22(34)20(32)21(33)23(42-26)25(36)37)5-6-17(13)29-19-14(12)9-30-18(19)8-16(15(10-31)24(30)35)28(40,4-2)27(38)39/h5-8,20-23,26,31-34,40H,3-4,9-10H2,1-2H3,(H,36,37)(H,38,39)/p-1/t20-,21-,22+,23-,26+,28-/m0/s1", + "name": "SN38 glucuronide carboxylate form", + "names": [ + "SN38 glucuronide carboxylate form" + ] + }, + { + "compound_id": "C11376", + "inchi": "InChI=1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/t20-,21-,22+,23-,26+,28-/m0/s1", + "name": "SN38 glucuronide", + "names": [ + "SN-38G", + "SN38 glucuronide" + ] + }, + { + "compound_id": "C11377", + "inchi": null, + "name": "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein", + "names": [ + "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" + ] + }, + { + "compound_id": "C11378", + "inchi": "InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+", + "name": "Ubiquinone-10", + "names": [ + "Coenzyme Q10", + "Ubidecarenone", + "Ubiquinone-10" + ] + }, + { + "compound_id": "C11379", + "inchi": "InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14?,18-,19+/m0/s1", + "name": "Cinchonidine", + "names": [ + "(8alpha,9R)-Cinchonan-9-ol", + "Cinchonidine" + ] + }, + { + "compound_id": "C11380", + "inchi": "InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3", + "name": "Apocynin", + "names": [ + "Acetovanillone", + "Apocynin" + ] + }, + { + "compound_id": "C11381", + "inchi": "InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3", + "name": "Benzoyltropein", + "names": [ + "Benzoyltropein", + "Benzoyltropine" + ] + }, + { + "compound_id": "C11382", + "inchi": "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1", + "name": "(+)-3-Carene", + "names": [ + "(+)-3-Carene", + "Isodiprene" + ] + }, + { + "compound_id": "C11383", + "inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1", + "name": "(+)-(S)-Carvone", + "names": [ + "(+)-(S)-Carvone", + "(+)-Carvone", + "Carvol", + "Carvone" + ] + }, + { + "compound_id": "C11384", + "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1", + "name": "(S)-(-)-Citronellal", + "names": [ + "(S)-(-)-Citronellal", + "(S)-3,7-Dimethyloct-6-enal" + ] + }, + { + "compound_id": "C11385", + "inchi": null, + "name": "Globotetraosylceramide", + "names": [ + "GalNAc-bta1->6Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer", + "Globotetraosylceramide", + "N-Acetyl-galactosaminyl-1,6-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide" + ] + }, + { + "compound_id": "C11386", + "inchi": "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1", + "name": "(-)-Citronellol", + "names": [ + "(-)-Citronellol" + ] + }, + { + "compound_id": "C11387", + "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3", + "name": "(1S,4R)-(-)-Fenchone", + "names": [ + "(1S,4R)-(-)-Fenchone" + ] + }, + { + "compound_id": "C11388", + "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1", + "name": "(-)-Linalool", + "names": [ + "(-)-Linalool", + "(3R)-Linalool", + "(R)-(-)-Linalool" + ] + }, + { + "compound_id": "C11389", + "inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1", + "name": "(+)-Linalool", + "names": [ + "(+)-Linalool", + "(3S)-Linalool", + "(S)-(+)-Linalool" + ] + }, + { + "compound_id": "C11390", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1", + "name": "(+)-Menthone", + "names": [ + "(+)-Menthone" + ] + }, + { + "compound_id": "C11391", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1", + "name": "(S)-(+)-alpha-Phellandrene", + "names": [ + "(S)-(+)-alpha-Phellandrene" + ] + }, + { + "compound_id": "C11392", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m1/s1", + "name": "(-)-beta-Phellandrene", + "names": [ + "(-)-beta-Phellandrene" + ] + }, + { + "compound_id": "C11393", + "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1", + "name": "(-)-alpha-Terpineol", + "names": [ + "(-)-alpha-Terpineol", + "(L)-alpha-Terpineol" + ] + }, + { + "compound_id": "C11394", + "inchi": "InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3", + "name": "(+)-Chrysanthenone", + "names": [ + "(+)-Chrysanthenone" + ] + }, + { + "compound_id": "C11395", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1", + "name": "(4R,6R)-cis-Carveol", + "names": [ + "(4R,6R)-cis-Carveol" + ] + }, + { + "compound_id": "C11396", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1", + "name": "(1R,2R,4R)-Dihydrocarveol", + "names": [ + "(-)-Dihydrocarveol", + "(1R,2R,4R)-Dihydrocarveol" + ] + }, + { + "compound_id": "C11397", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1", + "name": "(1R,2S,4R)-Neo-dihydrocarveol", + "names": [ + "(1R,2S,4R)-Neo-dihydrocarveol" + ] + }, + { + "compound_id": "C11398", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", + "name": "(1R,4R)-Dihydrocarvone", + "names": [ + "(1R,4R)-Dihydrocarvone" + ] + }, + { + "compound_id": "C11399", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1", + "name": "(1S,2S,4R)-Iso-dihydrocarveol", + "names": [ + "(1S,2S,4R)-Iso-dihydrocarveol" + ] + }, + { + "compound_id": "C11400", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1", + "name": "(1S,2R,4R)-Neoiso-dihydrocarveol", + "names": [ + "(1S,2R,4R)-Neoiso-dihydrocarveol" + ] + }, + { + "compound_id": "C11401", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1", + "name": "(1S,4R)-Iso-dihydrocarvone", + "names": [ + "(1S,4R)-Iso-dihydrocarvone" + ] + }, + { + "compound_id": "C11402", + "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", + "name": "(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone", + "names": [ + "(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone" + ] + }, + { + "compound_id": "C11403", + "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1", + "name": "(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone", + "names": [ + "(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone" + ] + }, + { + "compound_id": "C11404", + "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m1/s1", + "name": "(3R)-6-Hydroxy-3-isopropenyl-heptanoate", + "names": [ + "(3R)-6-Hydroxy-3-isopropenyl-heptanoate" + ] + }, + { + "compound_id": "C11405", + "inchi": "InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m1/s1", + "name": "(3R)-3-Isopropenyl-6-oxoheptanoate", + "names": [ + "(3R)-3-Isopropenyl-6-oxoheptanoate", + "(3R)-3-Isopropenyl-6-oxoheptanoic acid" + ] + }, + { + "compound_id": "C11406", + "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-11)5-4-8(3)10(12)13/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m1/s1", + "name": "(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate", + "names": [ + "(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate" + ] + }, + { + "compound_id": "C11407", + "inchi": "InChI=1S/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26?,30-/m1/s1", + "name": "(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA", + "names": [ + "(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA" + ] + }, + { + "compound_id": "C11408", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m0/s1", + "name": "(4S,6S)-cis-Carveol", + "names": [ + "(4S,6S)-cis-Carveol" + ] + }, + { + "compound_id": "C11409", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m0/s1", + "name": "(+)-trans-Carveol", + "names": [ + "(+)-trans-Carveol", + "(4S,6R)-trans-Carveol" + ] + }, + { + "compound_id": "C11410", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1", + "name": "(1R,2S,4S)- Neoiso-dihydrocarveol", + "names": [ + "(1R,2S,4S)- Neoiso-dihydrocarveol" + ] + }, + { + "compound_id": "C11411", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1", + "name": "(1R,2R,4S)-Iso-dihydrocarveol", + "names": [ + "(1R,2R,4S)-Iso-dihydrocarveol" + ] + }, + { + "compound_id": "C11412", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1", + "name": "(1R,4S)-Iso-dihydrocarvone", + "names": [ + "(1R,4S)-Iso-dihydrocarvone" + ] + }, + { + "compound_id": "C11413", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1", + "name": "(1S,2S,4S)-Dihydrocarveol", + "names": [ + "(+)-Dihydrocarveol", + "(1S,2S,4S)-Dihydrocarveol" + ] + }, + { + "compound_id": "C11414", + "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1", + "name": "(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone", + "names": [ + "(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone", + "4-Isopropenyl-7-methyloxepan-2-one" + ] + }, + { + "compound_id": "C11415", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1", + "name": "(1S,4S)-Dihydrocarvone", + "names": [ + "(1S,4S)-Dihydrocarvone" + ] + }, + { + "compound_id": "C11416", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10+/m0/s1", + "name": "(1S,2R,4S)-Neo-dihydrocarveol", + "names": [ + "(1S,2R,4S)-Neo-dihydrocarveol" + ] + }, + { + "compound_id": "C11417", + "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m0/s1", + "name": "(3S)-6-Hydroxy-3-isopropenyl-heptanoate", + "names": [ + "(3S)-6-Hydroxy-3-isopropenyl-heptanoate", + "6-Hydroxy-3-isopropenylheptanoate" + ] + }, + { + "compound_id": "C11418", + "inchi": "InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1", + "name": "(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone", + "names": [ + "(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone" + ] + }, + { + "compound_id": "C11419", + "inchi": "InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m0/s1", + "name": "(3S)-3-Isopropenyl-6-oxoheptanoate", + "names": [ + "(3S)-3-Isopropenyl-6-oxoheptanoate", + "(3S)-3-Isopropenyl-6-oxoheptanoic acid" + ] + }, + { + "compound_id": "C11420", + "inchi": "InChI=1S/C10H18O3/c1-7(2)9(6-11)5-4-8(3)10(12)13/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/t8?,9-/m0/s1", + "name": "(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate", + "names": [ + "(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate" + ] + }, + { + "compound_id": "C11421", + "inchi": "InChI=1S/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24+,25+,26?,30+/m0/s1", + "name": "(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA", + "names": [ + "(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA" + ] + }, + { + "compound_id": "C11422", + "inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H", + "name": "Phenanthrene", + "names": [ + "Phenanthracene", + "Phenanthrene" + ] + }, + { + "compound_id": "C11425", + "inchi": "InChI=1S/C14H10O4/c15-13(16)14(17)8-7-10-6-5-9-3-1-2-4-11(9)12(10)18-14/h1-8,17H,(H,15,16)", + "name": "2-Hydroxy-2H-benzo[h]chromene-2-carboxylate", + "names": [ + "2-Hydroxy-2H-benzo[h]chromene-2-carboxylate" + ] + }, + { + "compound_id": "C11426", + "inchi": "InChI=1S/C14H10O4/c15-12(14(17)18)8-7-10-6-5-9-3-1-2-4-11(9)13(10)16/h1-8,16H,(H,17,18)/b8-7+", + "name": "cis-4-(1'-Hydroxynaphth-2'-yl)-2-oxobut-3-enoate", + "names": [ + "cis-4-(1'-Hydroxynaphth-2'-yl)-2-oxobut-3-enoate" + ] + }, + { + "compound_id": "C11427", + "inchi": "InChI=1S/C11H8O2/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-7,13H", + "name": "1-Hydroxy-2-naphthaldehyde", + "names": [ + "1-Hydroxy-2-naphthaldehyde" + ] + }, + { + "compound_id": "C11428", + "inchi": "InChI=1S/C14H12O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,13-16H/t13-,14-/m0/s1", + "name": "trans-9(S),10(S)-Dihydrodiolphenanthrene", + "names": [ + "trans-9(S),10(S)-Dihydrodiolphenanthrene" + ] + }, + { + "compound_id": "C11429", + "inchi": "InChI=1S/C14H10O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-14/h1-8,13-14H/t13-,14+", + "name": "Phenanthrene-9,10-oxide", + "names": [ + "Phenanthrene-9,10-oxide" + ] + }, + { + "compound_id": "C11430", + "inchi": "InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H", + "name": "9-Hydroxyphenanthrene", + "names": [ + "9-Hydroxyphenanthrene", + "9-Phenanthrol" + ] + }, + { + "compound_id": "C11431", + "inchi": "InChI=1S/C14H10O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)15-13/h1-8,13-14H/t13-,14+/m1/s1", + "name": "Phenanthrene-1,2-oxide", + "names": [ + "Phenanthrene-1,2-oxide" + ] + }, + { + "compound_id": "C11432", + "inchi": "InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H", + "name": "1-Phenanthrol", + "names": [ + "1-Hydroxyphenanthrene", + "1-Phenanthrol" + ] + }, + { + "compound_id": "C11433", + "inchi": "InChI=1S/C15H12O/c1-16-15-8-4-7-13-12-6-3-2-5-11(12)9-10-14(13)15/h2-10H,1H3", + "name": "1-Methoxyphenanthrene", + "names": [ + "1-Methoxyphenanthrene" + ] + }, + { + "compound_id": "C11434", + "inchi": "InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1", + "name": "2-C-Methyl-D-erythritol 4-phosphate", + "names": [ + "2-C-Methyl-D-erythritol 4-phosphate" + ] + }, + { + "compound_id": "C11435", + "inchi": "InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1", + "name": "4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol", + "names": [ + "4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol" + ] + }, + { + "compound_id": "C11436", + "inchi": "InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1", + "name": "2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol", + "names": [ + "2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol" + ] + }, + { + "compound_id": "C11437", + "inchi": "InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1", + "name": "1-Deoxy-D-xylulose 5-phosphate", + "names": [ + "1-Deoxy-D-xylulose 5-phosphate" + ] + }, + { + "compound_id": "C11438", + "inchi": "InChI=1S/C43H42ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,28,31-32,35-36,38,41,48,50-51H,1,19-20,45H2,2-6H3,(H,46,52)/b22-9+/t28-,31-,32+,35?,36?,38?,41+,43+/m0/s1", + "name": "C-1027 Chromophore", + "names": [ + "C-1027", + "C-1027 Chromophore" + ] + }, + { + "compound_id": "C11439", + "inchi": null, + "name": "Formyl-L-methionyl peptide", + "names": [ + "Formyl-L-methionyl peptide" + ] + }, + { + "compound_id": "C11440", + "inchi": null, + "name": "Methionyl peptide", + "names": [ + "Methionyl peptide" + ] + }, + { + "compound_id": "C11441", + "inchi": "InChI=1S/C43H42ClN3O12/c1-22-39(51)46-35-27(18-26(53-6)19-31(35)55-22)40(52)57-32-21-54-34(48)20-29(45)24-13-15-30(28(44)17-24)56-33-11-7-9-23(32)12-14-25-10-8-16-43(25,33)59-41-37(50)36(49)38(47(4)5)42(2,3)58-41/h8-10,13,15-19,29,32-33,36-38,41,49-50H,1,20-21,45H2,2-6H3,(H,46,51)/b23-9+/t29-,32-,33+,36?,37?,38?,41+,43+/m0/s1", + "name": "Deshydroxy-C-1027 chromophore", + "names": [ + "Deshydroxy-C-1027 chromophore" + ] + }, + { + "compound_id": "C11442", + "inchi": "InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/t28-,31-,34?,35?,37?,38+,41+,43+/m0/s1", + "name": "Aromatized C-1027 chromophore", + "names": [ + "Aromatized C-1027 chromophore" + ] + }, + { + "compound_id": "C11443", + "inchi": "InChI=1S/C43H44ClN3O12/c1-20-39(51)46-34-26(16-23(53-6)17-31(34)55-20)40(52)57-32-19-54-33(48)18-29(45)21-10-12-30(28(44)15-21)56-38-24-11-9-22(32)14-25(24)27-8-7-13-43(27,38)59-41-36(50)35(49)37(47(4)5)42(2,3)58-41/h7-17,29,32,35-38,41,49-50H,1,18-19,45H2,2-6H3,(H,46,51)/t29-,32-,35?,36?,37?,38+,41+,43+/m0/s1", + "name": "Aromatized deshydroxy-C-1027 chromophore", + "names": [ + "Aromatized deshydroxy-C-1027 chromophore" + ] + }, + { + "compound_id": "C11444", + "inchi": null, + "name": "Acetyl-[pcp]", + "names": [ + "Acetyl-[pcp]" + ] + }, + { + "compound_id": "C11445", + "inchi": "InChI=1S/C14H8O2/c1-3-10(12-9-15-12)6-7-11-4-2-8-14(11)13(5-1)16-14/h2-4,8,12-13H,9H2/b10-3+", + "name": "4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne", + "names": [ + "4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne" + ] + }, + { + "compound_id": "C11446", + "inchi": "InChI=1S/C14H10O3/c15-9-12(16)10-3-1-5-13-14(17-13)8-2-4-11(14)7-6-10/h2-4,8,12-13,15-16H,9H2/b10-3+/t12-,13-,14+/m0/s1", + "name": "4-Dihydroxyethyl-8,9-epoxy-enediyne", + "names": [ + "4-Dihydroxyethyl-8,9-epoxy-enediyne" + ] + }, + { + "compound_id": "C11447", + "inchi": "InChI=1S/C19H33N3O14P2/c1-9-7-22(18(27)20-16(9)26)12-6-10(23)11(33-12)8-32-37(28,29)36-38(30,31)35-17-14(25)13(24)15(21(4)5)19(2,3)34-17/h7,10-15,17,23-25H,6,8H2,1-5H3,(H,28,29)(H,30,31)(H,20,26,27)/t10-,11+,12+,13?,14+,15-,17+/m0/s1", + "name": "dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose", + "names": [ + "dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose" + ] + }, + { + "compound_id": "C11448", + "inchi": "InChI=1S/C32H43N8O20P3S/c1-15-28(44)39-21-17(9-16(54-4)10-18(21)57-15)31(46)64-8-7-34-20(41)5-6-35-29(45)25(43)32(2,3)12-56-63(52,53)60-62(50,51)55-11-19-24(59-61(47,48)49)23(42)30(58-19)40-14-38-22-26(33)36-13-37-27(22)40/h9-10,13-14,19,23-25,30,42-43H,1,5-8,11-12H2,2-4H3,(H,34,41)(H,35,45)(H,39,44)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,23-,24-,25?,30-/m1/s1", + "name": "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carbonyl-CoA", + "names": [ + "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carbonyl-CoA", + "Benzoxazolinyl-CoA" + ] + }, + { + "compound_id": "C11449", + "inchi": null, + "name": "3-Amino-3-(5-chloro-3,4-dihydroxyphenyl)propanoyl-[pcp]", + "names": [ + "3-Amino-3-(5-chloro-3,4-dihydroxyphenyl)propanoyl-[pcp]" + ] + }, + { + "compound_id": "C11453", + "inchi": "InChI=1S/C4H10O10P2/c5-2-4(7)3(6)1-12-15(8,9)14-16(10,11)13-4/h3,5-7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1", + "name": "2-C-Methyl-D-erythritol 2,4-cyclodiphosphate", + "names": [ + "2-C-Methyl-D-erythritol 2,4-cyclodiphosphate", + "3-Methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate" + ] + }, + { + "compound_id": "C11455", + "inchi": "InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1", + "name": "4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol", + "names": [ + "4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol" + ] + }, + { + "compound_id": "C11456", + "inchi": "InChI=1S/C9H12O4/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5,7-8,10-11H,1H3,(H,12,13)/t5?,7-,8+/m0/s1", + "name": "cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol", + "names": [ + "cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol" + ] + }, + { + "compound_id": "C11457", + "inchi": "InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)", + "name": "3-(3-Hydroxyphenyl)propanoic acid", + "names": [ + "3-(3-Hydroxyphenyl)propanoate", + "3-(3-Hydroxyphenyl)propanoic acid", + "3-Hydroxyphenylpropanoate", + "Dihydro-3-coumaric acid" + ] + }, + { + "compound_id": "C11458", + "inchi": "InChI=1S/C8H16NO/c1-5-6-8(10)7-9(2,3)4/h5-6H,7H2,1-4H3/q+1/b6-5+", + "name": "Crotono-betaine", + "names": [ + "Crotono-betaine" + ] + }, + { + "compound_id": "C11459", + "inchi": "InChI=1S/C8H18NO/c1-5-6-8(10)7-9(2,3)4/h5-7H2,1-4H3/q+1", + "name": "Butyro-betaine", + "names": [ + "Butyro-betaine" + ] + }, + { + "compound_id": "C11460", + "inchi": "InChI=1S/C17H26N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-12,15,20-22H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/t8-,9+,10+,11-,12+,15+/m0/s1", + "name": "dTDP-4-oxo-5-C-methyl-L-rhamnose", + "names": [ + "dTDP-4-oxo-5-C-methyl-L-rhamnose", + "dTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose" + ] + }, + { + "compound_id": "C11461", + "inchi": "InChI=1S/C17H29N3O14P2/c1-7-5-20(16(25)19-14(7)24)10-4-8(21)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(23)11(22)13(18)17(2,3)32-15/h5,8-13,15,21-23H,4,6,18H2,1-3H3,(H,26,27)(H,28,29)(H,19,24,25)/t8-,9+,10+,11-,12+,13-,15+/m0/s1", + "name": "dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose", + "names": [ + "dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose" + ] + }, + { + "compound_id": "C11462", + "inchi": "InChI=1S/C19H23N6O10P/c20-9(3-8-1-2-10(26)11(27)4-8)19(30)35-36(31,32)33-5-12-14(28)15(29)18(34-12)25-7-24-13-16(21)22-6-23-17(13)25/h1-2,4,6-7,9,12,14-15,18,26-29H,3,5,20H2,(H,31,32)(H2,21,22,23)/t9-,12+,14+,15+,18+/m0/s1", + "name": "3-Hydroxy-L-tyrosyl-AMP", + "names": [ + "3,4-Dihydroxy-L-phenylalanyl-AMP", + "3-Hydroxy-L-tyrosyl-AMP" + ] + }, + { + "compound_id": "C11463", + "inchi": null, + "name": "3,4-Dihydroxy-L-phenylalanyl-[pcp]", + "names": [ + "3,4-Dihydroxy-L-phenylalanyl-[pcp]" + ] + }, + { + "compound_id": "C11464", + "inchi": null, + "name": "5-Chloro-3,4-dihydroxy-L-phenylalanyl-[pcp]", + "names": [ + "5-Chloro-3,4-dihydroxy-L-phenylalanyl-[pcp]" + ] + }, + { + "compound_id": "C11465", + "inchi": "InChI=1S/C7H7NO4/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,9-10H,8H2,(H,11,12)", + "name": "3,5-Dihydroxyanthranilate", + "names": [ + "3,5-Dihydroxyanthranilate", + "3,5-Dihydroxyanthranilic acid" + ] + }, + { + "compound_id": "C11466", + "inchi": "InChI=1S/C8H9NO4/c1-13-4-2-5(8(11)12)7(9)6(10)3-4/h2-3,10H,9H2,1H3,(H,11,12)", + "name": "5-Methoxy-3-hydroxyanthranilate", + "names": [ + "5-Methoxy-3-hydroxyanthranilate", + "5-Methoxy-3-hydroxyanthranilic acid" + ] + }, + { + "compound_id": "C11467", + "inchi": "InChI=1S/C11H11NO6/c1-5(13)10(15)12-9-7(11(16)17)3-6(18-2)4-8(9)14/h3-4,14H,1-2H3,(H,12,15)(H,16,17)", + "name": "N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate", + "names": [ + "N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate", + "N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid" + ] + }, + { + "compound_id": "C11468", + "inchi": "InChI=1S/C11H9NO5/c1-5-10(13)12-9-7(11(14)15)3-6(16-2)4-8(9)17-5/h3-4H,1H2,2H3,(H,12,13)(H,14,15)", + "name": "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid", + "names": [ + "3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid", + "Benzoxazolinate" + ] + }, + { + "compound_id": "C11469", + "inchi": "InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26?,27?,28?,30?,31?,33-,34?,35?,36?,40?,42?,43?,44?,47?,48?,50?,52?,53+,55-/m0/s1", + "name": "Calicheamicin gamma(1)I", + "names": [ + "Calicheamicin gamma(1)I", + "Calichemicin gamma1" + ] + }, + { + "compound_id": "C11471", + "inchi": "InChI=1S/C30H19NO9/c1-12-19(28(37)38)27(39-2)13-7-5-3-4-6-8-18-29(12)30(13,40-29)14-11-17(34)22-23(24(14)31-18)26(36)21-16(33)10-9-15(32)20(21)25(22)35/h3-4,9-13,18,31-34H,1-2H3,(H,37,38)/b4-3-/t12-,13-,18?,29-,30+/m0/s1", + "name": "Dynemicin A", + "names": [ + "Dynemicin A" + ] + }, + { + "compound_id": "C11472", + "inchi": "InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7?/m1/s1", + "name": "D-glycero-D-manno-Heptose 1,7-bisphosphate", + "names": [ + "D-glycero-D-manno-Heptose 1,7-bisphosphate" + ] + }, + { + "compound_id": "C11473", + "inchi": "InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3", + "name": "Thiocyclam", + "names": [ + "Evisect", + "Thiocyclam" + ] + }, + { + "compound_id": "C11474", + "inchi": "InChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3", + "name": "Nereistoxin", + "names": [ + "Nereistoxin" + ] + }, + { + "compound_id": "C11475", + "inchi": null, + "name": "DNA containing guanine", + "names": [ + "DNA containing guanine" + ] + }, + { + "compound_id": "C11476", + "inchi": "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2", + "name": "L-Arabinose", + "names": [ + "L-Arabinose" + ] + }, + { + "compound_id": "C11477", + "inchi": null, + "name": "Sugar", + "names": [ + "Sugar" + ] + }, + { + "compound_id": "C11478", + "inchi": null, + "name": "tRNA containing 5-aminomethyl-2-thiouridine", + "names": [ + "tRNA containing 5-aminomethyl-2-thiouridine", + "tRNA containing nm5s2U" + ] + }, + { + "compound_id": "C11480", + "inchi": "InChI=1S/C8H10O2/c1-7(6-9)4-3-5-8(2)10/h3-6H,1-2H3/b5-3+,7-4+", + "name": "2-Methyl-6-oxohepta-2,4-dienal", + "names": [ + "2-Methyl-6-oxohepta-2,4-dienal" + ] + }, + { + "compound_id": "C11481", + "inchi": "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1", + "name": "HSO3-", + "names": [ + "Bisulfite", + "HSO3-", + "Hydrogen sulfite" + ] + }, + { + "compound_id": "C11482", + "inchi": null, + "name": "Holo-Lys2", + "names": [ + "Holo-Lys2", + "[Enzyme]-Phosphopantetheine", + "[Enzyme]-acyl-binding site" + ] + }, + { + "compound_id": "C11483", + "inchi": "InChI=1S/C19H23N3O2/c1-4-20-12-17(23)21-16-10-8-15(9-11-16)19(24)22-18-13(2)6-5-7-14(18)3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)", + "name": "MEGA", + "names": [ + "MEGA" + ] + }, + { + "compound_id": "C11484", + "inchi": "InChI=1S/C17H19N3O2/c1-11-4-3-5-12(2)16(11)20-17(22)13-6-8-14(9-7-13)19-15(21)10-18/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)", + "name": "GA", + "names": [ + "GA" + ] + }, + { + "compound_id": "C11485", + "inchi": "InChI=1S/C15H16N2O/c1-10-4-3-5-11(2)14(10)17-15(18)12-6-8-13(16)9-7-12/h3-9H,16H2,1-2H3,(H,17,18)", + "name": "LY201116", + "names": [ + "Ameltolide", + "LY201116" + ] + }, + { + "compound_id": "C11486", + "inchi": "InChI=1S/C17H18N2O2/c1-11-5-4-6-12(2)16(11)19-17(21)14-7-9-15(10-8-14)18-13(3)20/h4-10H,1-3H3,(H,18,20)(H,19,21)", + "name": "NAC", + "names": [ + "NAC" + ] + }, + { + "compound_id": "C11487", + "inchi": "InChI=1S/C10H13NO/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)", + "name": "EPA", + "names": [ + "EPA", + "N-Ethylphenylacetamide" + ] + }, + { + "compound_id": "C11488", + "inchi": "InChI=1S/C3H7NO2/c1-4(2-5)3-6/h2,6H,3H2,1H3", + "name": "HMMF", + "names": [ + "HMMF", + "N-Hydroxymethyl-N-methylformamide" + ] + }, + { + "compound_id": "C11489", + "inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)", + "name": "NMF", + "names": [ + "N-Methylformamide", + "NMF" + ] + }, + { + "compound_id": "C11490", + "inchi": "InChI=1S/C7H12N2O4S/c1-4(10)9-5(6(11)12)3-14-7(13)8-2/h5H,3H2,1-2H3,(H,8,13)(H,9,10)(H,11,12)/t5-/m0/s1", + "name": "AMCC", + "names": [ + "AMCC", + "N-Acetyl-S-(N-methylcarbamoyl)cysteine" + ] + }, + { + "compound_id": "C11491", + "inchi": "InChI=1S/C13H12O3/c1-9(13(14)15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,14,15)", + "name": "NOP", + "names": [ + "2-(2-Naphthalenyloxy)propanoic acid", + "2-(2-Naphthoxy)propionic acid", + "NOP" + ] + }, + { + "compound_id": "C11492", + "inchi": "InChI=1S/C14H14O3/c1-10(14(15)16-2)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3", + "name": "NOPM", + "names": [ + "2-(2-Naphthoxy)propionic acid methyl ester", + "NOPM" + ] + }, + { + "compound_id": "C11493", + "inchi": "InChI=1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23)", + "name": "Carfentrazone", + "names": [ + "Carfentrazone" + ] + }, + { + "compound_id": "C11494", + "inchi": "InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)", + "name": "Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate", + "names": [ + "Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate" + ] + }, + { + "compound_id": "C11495", + "inchi": "InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)11-7-6-10(3)8-12(11)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)", + "name": "Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate", + "names": [ + "Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate" + ] + }, + { + "compound_id": "C11496", + "inchi": "InChI=1S/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/t5-/m1/s1", + "name": "(R)-2-Hydroxypropyl-CoM", + "names": [ + "(R)-2-Hydroxypropyl-CoM", + "2-(R)-Hydroxypropyl-CoM" + ] + }, + { + "compound_id": "C11497", + "inchi": "InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)", + "name": "2-Oxopropyl-CoM", + "names": [ + "2-(2-Oxopropylthio)ethanesulfonate", + "2-Oxopropyl-CoM" + ] + }, + { + "compound_id": "C11498", + "inchi": "InChI=1S/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/t5-/m0/s1", + "name": "(S)-2-Hydroxypropyl-CoM", + "names": [ + "(S)-2-Hydroxypropyl-CoM", + "2-(S)-Hydroxypropyl-CoM" + ] + }, + { + "compound_id": "C11499", + "inchi": "InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1", + "name": "(S)-3-Sulfolactate", + "names": [ + "(2S)-3-Sulfolactate", + "(S)-3-Sulfolactate" + ] + }, + { + "compound_id": "C11500", + "inchi": "InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,6-7,10,17-18H,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1", + "name": "5'-Dehydroadenosine", + "names": [ + "5'-Dehydroadenosine" + ] + }, + { + "compound_id": "C11501", + "inchi": "InChI=1S/C10H11N5O5/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(20-9)10(18)19/h1-2,4-6,9,16-17H,(H,18,19)(H2,11,12,13)/t4-,5+,6-,9+/m0/s1", + "name": "9-Riburonosyladenine", + "names": [ + "9-Riburonosyladenine" + ] + }, + { + "compound_id": "C11502", + "inchi": "InChI=1S/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11+,12+,13-,14?,15+,16+,17+,18+,19-,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30?,33+,34?/m0/s1", + "name": "Mycothione", + "names": [ + "Mycothione" + ] + }, + { + "compound_id": "C11503", + "inchi": "InChI=1S/C9H7NO2/c11-8-5-10-7-4-2-1-3-6(7)9(8)12/h1-5,11H,(H,10,12)", + "name": "3-Hydroxy-1H-quinolin-4-one", + "names": [ + "3-Hydroxy-1H-quinolin-4-one" + ] + }, + { + "compound_id": "C11504", + "inchi": "InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)", + "name": "3-Hydroxy-2-methyl-1H-quinolin-4-one", + "names": [ + "3-Hydroxy-2-methyl-1H-quinolin-4-one" + ] + }, + { + "compound_id": "C11505", + "inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3", + "name": "Propylene", + "names": [ + "Propene", + "Propylene" + ] + }, + { + "compound_id": "C11506", + "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1", + "name": "(2R)-1,2-Epoxypropane", + "names": [ + "(2R)-1,2-Epoxypropane" + ] + }, + { + "compound_id": "C11507", + "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1", + "name": "(S)-1,2-Epoxypropane", + "names": [ + "(S)-1,2-Epoxypropane" + ] + }, + { + "compound_id": "C11508", + "inchi": "InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1", + "name": "4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol", + "names": [ + "4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol", + "delta8,14 -Sterol" + ] + }, + { + "compound_id": "C11509", + "inchi": "InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24?,25-,26+,27-,28-,29+/m1/s1", + "name": "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde", + "names": [ + "3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde" + ] + }, + { + "compound_id": "C11510", + "inchi": "InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3", + "name": "2,4.6-Trichloroanisole", + "names": [ + "2,4.6-Trichloroanisole" + ] + }, + { + "compound_id": "C11511", + "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1", + "name": "threo-3-Hydroxy-L-aspartate", + "names": [ + "L-threo-3-Hydroxyaspartate", + "threo-3-Hydroxy-L-aspartate" + ] + }, + { + "compound_id": "C11512", + "inchi": "InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1", + "name": "Methyl jasmonate", + "names": [ + "(-)-Methyl jasmonate", + "Methyl jasmonate" + ] + }, + { + "compound_id": "C11513", + "inchi": "InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3/t21-,22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1", + "name": "(24R)-24-Methylcycloarta-25-en-3-beta-ol", + "names": [ + "(24R)-24-Methylcycloarta-25-en-3-beta-ol" + ] + }, + { + "compound_id": "C11514", + "inchi": "InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2+", + "name": "(E)-3-(Methoxycarbonyl)pent-2-enedioate", + "names": [ + "(E)-3-(Methoxycarbonyl)pent-2-enedioate" + ] + }, + { + "compound_id": "C11515", + "inchi": "InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+", + "name": "(E)-2-(Methoxycarbonylmethyl)butenedioate", + "names": [ + "(E)-2-(Methoxycarbonylmethyl)butenedioate" + ] + }, + { + "compound_id": "C11516", + "inchi": "InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4+,5-,6+,7+,9-/m1/s1", + "name": "2-(alpha-D-Mannosyl)-3-phosphoglycerate", + "names": [ + "2-(alpha-D-Mannosyl)-3-phosphoglycerate" + ] + }, + { + "compound_id": "C11519", + "inchi": "InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)", + "name": "N-Cyclohexylformamide", + "names": [ + "N-Cyclohexylformamide" + ] + }, + { + "compound_id": "C11520", + "inchi": "InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2", + "name": "Cyclohexyl isocyanide", + "names": [ + "Cyclohexaneisonitrile", + "Cyclohexyl isocyanide", + "N-Cyclohexylisocyanide" + ] + }, + { + "compound_id": "C11521", + "inchi": "InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1", + "name": "UDP-6-sulfoquinovose", + "names": [ + "UDP-6-sulfoquinovose" + ] + }, + { + "compound_id": "C11522", + "inchi": "InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23?,24?,25?,26?,27+,28-,29+/m1/s1", + "name": "24-Methylenelophenol", + "names": [ + "24-Methylenelophenol", + "4-alpha-Methyl-5-alpha-ergosta-7,24-dien-3-beta-ol" + ] + }, + { + "compound_id": "C11523", + "inchi": "InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,26+,27+,28+,29-,30+/m1/s1", + "name": "24-Ethylidenelophenol", + "names": [ + "(Z)-24-Ethylidenelophenol", + "24-Ethylidenelophenol", + "4-alpha-Methyl-5-alpha-stigmasta-7,Z-24-dien-3-beta-ol", + "alpha1-Sitosterol" + ] + }, + { + "compound_id": "C11524", + "inchi": null, + "name": "Diphospho-myo-inositol polyphosphate", + "names": [ + "Diphospho-myo-inositol polyphosphate" + ] + }, + { + "compound_id": "C11525", + "inchi": null, + "name": "myo-Inositol polyphosphate", + "names": [ + "myo-Inositol polyphosphate" + ] + }, + { + "compound_id": "C11526", + "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+", + "name": "5-PP-InsP5", + "names": [ + "1D-myo-Inositol 5-diphosphate pentakisphosphate", + "1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate", + "5-Diphosphoinositol pentakisphosphate", + "5-PP-InsP5" + ] + }, + { + "compound_id": "C11527", + "inchi": "InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)", + "name": "4-Hydroxymandelate", + "names": [ + "4-Hydroxymandelate", + "4-Hydroxymandelic acid" + ] + }, + { + "compound_id": "C11529", + "inchi": null, + "name": "N-Carbamoyl-L-amino acid", + "names": [ + "N-Carbamoyl-L-2-amino acid", + "N-Carbamoyl-L-amino acid" + ] + }, + { + "compound_id": "C11531", + "inchi": null, + "name": "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranoside", + "names": [ + "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranoside", + "beta-Primeveroside" + ] + }, + { + "compound_id": "C11535", + "inchi": "InChI=1S/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2/t3-,4-,5+,6-,7+,8-,9-,10-,11+/m1/s1", + "name": "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose", + "names": [ + "6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose", + "beta-Primeverose" + ] + }, + { + "compound_id": "C11536", + "inchi": "InChI=1S/C3H7O9PS/c4-3(5)2(1-14(9,10)11)12-13(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H,9,10,11)/t2-/m0/s1", + "name": "(2R)-O-Phospho-3-sulfolactate", + "names": [ + "(2R)-O-Phospho-3-sulfolactate", + "(2R)-Phosphosulfolactate" + ] + }, + { + "compound_id": "C11537", + "inchi": "InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1", + "name": "(2R)-3-Sulfolactate", + "names": [ + "(2R)-3-Sulfolactate", + "(R)-3-Sulfolactate" + ] + }, + { + "compound_id": "C11538", + "inchi": "InChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,23-24H,3-12,17-18H2,1-2H3,(H10,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-2/t23-,24-,41+,42+;/m1./s1", + "name": "Cobalt-sirohydrochlorin", + "names": [ + "Cobalt-factor II", + "Cobalt-sirohydrochlorin" + ] + }, + { + "compound_id": "C11539", + "inchi": "InChI=1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-1/b41-19-;/t22?,24-,25-,42+,43+;/m1./s1", + "name": "Cobalt-precorrin 3", + "names": [ + "Cobalt-precorrin 3" + ] + }, + { + "compound_id": "C11540", + "inchi": "InChI=1S/C44H51N4O16.Co/c1-20-44-40-25(14-37(59)60)41(2,12-11-35(55)56)30(47-40)16-27-21(5-8-32(49)50)22(13-36(57)58)26(45-27)15-28-23(6-9-33(51)52)42(3,18-38(61)62)31(46-28)17-29(48-44)24(7-10-34(53)54)43(44,4)19-39(63)64-20;/h15,17,20,23-24H,5-14,16,18-19H2,1-4H3,(H8,46,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-1/b28-15-;/t20?,23-,24-,41-,42+,43+,44?;/m1./s1", + "name": "Cobalt-precorrin 4", + "names": [ + "Cobalt-precorrin 4" + ] + }, + { + "compound_id": "C11541", + "inchi": "InChI=1S/C45H54N4O16.Co/c1-21-45-40-26(15-37(60)61)41(2,13-12-35(56)57)30(47-40)16-27-22(6-9-32(50)51)25(14-36(58)59)44(5,48-27)18-29-23(7-10-33(52)53)42(3,19-38(62)63)31(46-29)17-28(49-45)24(8-11-34(54)55)43(45,4)20-39(64)65-21;/h16-17,21,24,26H,6-15,18-20H2,1-5H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/b30-16-;/t21?,24-,26?,41-,42+,43+,44+,45?;/m1./s1", + "name": "Cobalt-precorrin 5", + "names": [ + "Cobalt-precorrin 5" + ] + }, + { + "compound_id": "C11542", + "inchi": "InChI=1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-1/t23-,40-,41+,42+,43+,44+;/m1./s1", + "name": "Cobalt-precorrin 6", + "names": [ + "Cobalt-precorrin 6", + "Cobalt-precorrin 6A" + ] + }, + { + "compound_id": "C11543", + "inchi": "InChI=1S/C44H56N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23,25,39H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-1/t23-,25+,39-,40-,41+,42+,43+,44+;/m1./s1", + "name": "Cobalt-dihydro-precorrin 6", + "names": [ + "Cobalt-dihydro-precorrin 6", + "Cobalt-precorrin 6B" + ] + }, + { + "compound_id": "C11544", + "inchi": "InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4?,5-,6+,7+,9?/m1/s1", + "name": "2(alpha-D-Mannosyl)-D-glycerate", + "names": [ + "2(alpha-D-Mannosyl)-D-glycerate", + "2-O-(alpha-Mannopyranosyl)-D-glycerate", + "alpha-Mannosylglycerate" + ] + }, + { + "compound_id": "C11545", + "inchi": "InChI=1S/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40H,9-20H2,1-8H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1", + "name": "Cobalt-precorrin 8", + "names": [ + "Cobalt-precorrin 8" + ] + }, + { + "compound_id": "C11546", + "inchi": "InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9-/m1/s1", + "name": "2-(beta-D-Glucosyl)-sn-glycerol", + "names": [ + "2-(beta-D-Glucosyl)-sn-glycerol" + ] + }, + { + "compound_id": "C11547", + "inchi": null, + "name": "3-(Acyloxy)acyl group of bacterial toxin", + "names": [ + "3-(Acyloxy)acyl group of bacterial toxin" + ] + }, + { + "compound_id": "C11548", + "inchi": null, + "name": "3-Hydroxyacyl group of bacterial toxin", + "names": [ + "3-Hydroxyacyl group of bacterial toxin" + ] + }, + { + "compound_id": "C11549", + "inchi": null, + "name": "Poly[(R)-3-hydroxyoctanoate]n", + "names": [ + "Poly[(R)-3-hydroxyoctanoate]n", + "Poly[(R)-3-hydroxyoctanoate]n-x" + ] + }, + { + "compound_id": "C11550", + "inchi": null, + "name": "Poly[(R)-3-hydroxyoctanoate]x", + "names": [ + "Poly[(R)-3-hydroxyoctanoate]x" + ] + }, + { + "compound_id": "C11551", + "inchi": null, + "name": "Poly[(R)-3-hydroxybutanoate]n-x", + "names": [ + "Poly[(R)-3-hydroxybutanoate]n", + "Poly[(R)-3-hydroxybutanoate]n-x" + ] + }, + { + "compound_id": "C11552", + "inchi": null, + "name": "Poly[(R)-3-hydroxybutanoate]x", + "names": [ + "Poly[(R)-3-hydroxybutanoate]x" + ] + }, + { + "compound_id": "C11553", + "inchi": null, + "name": "[Heparan sulfate]-glucosamine 3-sulfate", + "names": [ + "[Heparan sulfate]-glucosamine 3-sulfate" + ] + }, + { + "compound_id": "C11554", + "inchi": null, + "name": "1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate)", + "1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate" + ] + }, + { + "compound_id": "C11555", + "inchi": "InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1", + "name": "1D-myo-Inositol 1,4,5,6-tetrakisphosphate", + "names": [ + "1D-myo-Inositol 1,4,5,6-tetrakisphosphate", + "D-myo-Inositol 1,4,5,6-tetrakisphosphate", + "Inositol 1,4,5,6-tetrakisphosphate" + ] + }, + { + "compound_id": "C11556", + "inchi": null, + "name": "1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate)", + "1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate" + ] + }, + { + "compound_id": "C11557", + "inchi": null, + "name": "1-Phosphatidyl-1D-myo-inositol 5-phosphate", + "names": [ + "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate)", + "1-Phosphatidyl-1D-myo-inositol 5-phosphate" + ] + }, + { + "compound_id": "C11560", + "inchi": "InChI=1S/C20H21N3O/c1-14-11-15(2)23(21-14)13-16(24)12-22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-11,16,24H,12-13H2,1-2H3", + "name": "1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol", + "names": [ + "1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol" + ] + }, + { + "compound_id": "C11561", + "inchi": "InChI=1S/C22H19ClN4O2/c1-14-10-18(11-15(2)22(14)23)29-13-21(28)24-16-8-9-19-20(12-16)26-27(25-19)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,24,28)", + "name": "2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide", + "names": [ + "2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide" + ] + }, + { + "compound_id": "C11562", + "inchi": "InChI=1S/C19H18ClN5O/c1-11-3-8-15-12(2)22-19(23-16(15)9-11)25-18(21)24-17(26)10-13-4-6-14(20)7-5-13/h3-9H,10H2,1-2H3,(H3,21,22,23,24,25,26)", + "name": "N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine", + "names": [ + "N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-guanidine" + ] + }, + { + "compound_id": "C11563", + "inchi": "InChI=1S/C25H21N3O2/c1-29-22-14-18-16-26-25-24(20(18)15-23(22)30-2)21(13-17-9-5-3-6-10-17)27-28(25)19-11-7-4-8-12-19/h3-12,14-16H,13H2,1-2H3", + "name": "1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline", + "names": [ + "1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline" + ] + }, + { + "compound_id": "C11564", + "inchi": "InChI=1S/C22H18N2O4/c1-14-6-9-16(10-7-14)27-13-21(26)23-15-8-11-19(25)17(12-15)22-24-18-4-2-3-5-20(18)28-22/h2-12,25H,13H2,1H3,(H,23,26)", + "name": "N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide", + "names": [ + "N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide" + ] + }, + { + "compound_id": "C11565", + "inchi": "InChI=1S/C18H15N3/c1-2-12-20-16-10-6-7-11-17(16)21-13-15(19-18(20)21)14-8-4-3-5-9-14/h2-11,13H,1,12H2", + "name": "8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene", + "names": [ + "8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene" + ] + }, + { + "compound_id": "C11566", + "inchi": "InChI=1S/C16H13ClN2O2/c1-20-14-5-3-2-4-13(14)16-18-15(19-21-16)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3", + "name": "3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-[1,2,4]oxadiazole", + "names": [ + "3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-[1,2,4]oxadiazole" + ] + }, + { + "compound_id": "C11567", + "inchi": "InChI=1S/C18H19N3S2/c19-16-15-13-8-4-5-9-14(13)23-17(15)21-18(20-16)22-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,19,20,21)", + "name": "2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine", + "names": [ + "2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine" + ] + }, + { + "compound_id": "C11568", + "inchi": "InChI=1S/C22H17N3O2/c1-2-27-20(26)13-25-19-10-6-5-9-16(19)21-22(25)24-18-12-15-8-4-3-7-14(15)11-17(18)23-21/h3-12H,2,13H2,1H3", + "name": "(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester", + "names": [ + "(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester" + ] + }, + { + "compound_id": "C11569", + "inchi": "InChI=1S/C20H15N3O2/c24-17-12-6-4-10-15(17)19-21-20(16-11-5-7-13-18(16)25)23(22-19)14-8-2-1-3-9-14/h1-13,24-25H", + "name": "2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol", + "names": [ + "2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol" + ] + }, + { + "compound_id": "C11570", + "inchi": "InChI=1S/C13H9ClN2OS/c1-8-6-7-11(18-8)13-16-15-12(17-13)9-4-2-3-5-10(9)14/h2-7H,1H3", + "name": "2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole", + "names": [ + "2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole" + ] + }, + { + "compound_id": "C11571", + "inchi": "InChI=1S/C16H16N2S/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13/h6-10H,2-5H2,1H3", + "name": "2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole", + "names": [ + "2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole" + ] + }, + { + "compound_id": "C11572", + "inchi": null, + "name": "Glycoprotein with the oligosaccharide chain attached by N-glycosyl linkage to protein L-asparagine", + "names": [ + "Glycoprotein with the oligosaccharide chain attached by N-glycosyl linkage to protein L-asparagine" + ] + }, + { + "compound_id": "C11573", + "inchi": "InChI=1S/C25H26O4/c1-15(2)10-12-18-23(27)19(13-11-16(3)4)25-22(24(18)28)20(26)14-21(29-25)17-8-6-5-7-9-17/h5-11,14,27-28H,12-13H2,1-4H3", + "name": "6,8-Di-DMA-chrysin", + "names": [ + "6,8-Di-(3,3-DMA)chrysin", + "6,8-Di-(3,3-dimethylallyl)chrysin", + "6,8-Di-DMA-chrysin" + ] + }, + { + "compound_id": "C11574", + "inchi": "InChI=1S/C25H26O4/c1-16(2)8-7-9-17(3)12-13-19-20(26)14-23-24(25(19)28)21(27)15-22(29-23)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,26,28H,7,9,13H2,1-3H3/b17-12+", + "name": "6-Geranylchrysin", + "names": [ + "6-Geranylchrysin" + ] + }, + { + "compound_id": "C11575", + "inchi": "InChI=1S/C25H26O4/c1-16(2)8-7-9-17(3)12-13-19-20(26)14-21(27)24-22(28)15-23(29-25(19)24)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,26-27H,7,9,13H2,1-3H3/b17-12+", + "name": "8-Geranylchrysin", + "names": [ + "8-Geranylchrysin" + ] + }, + { + "compound_id": "C11576", + "inchi": "InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15-16(17(13)22)18(23)19(24)20(25-15)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3", + "name": "6-(3,3-DMA)galangin", + "names": [ + "6-(3,3-DMA)galangin", + "6-(3,3-Dimethylallyl)galangin" + ] + }, + { + "compound_id": "C11577", + "inchi": "InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3", + "name": "3-Methylgalangin", + "names": [ + "3-Methylgalangin" + ] + }, + { + "compound_id": "C11578", + "inchi": "InChI=1S/C21H20O5/c1-12(2)9-10-14-15(22)11-16(23)17-18(24)21(25-3)19(26-20(14)17)13-7-5-4-6-8-13/h4-9,11,22-23H,10H2,1-3H3", + "name": "8-(3,3-Dimethylallyl)-3-methylgalangin", + "names": [ + "8-(3,3-DMA)-3-methylgalangin", + "8-(3,3-Dimethylallyl)-3-methylgalangin" + ] + }, + { + "compound_id": "C11579", + "inchi": "InChI=1S/C21H20O5/c1-5-21(2,3)16-14(23)11-13(22)15-17(24)20(25-4)18(26-19(15)16)12-9-7-6-8-10-12/h5-11,22-23H,1H2,2-4H3", + "name": "8-(1,1-Dimethylallyl)-3-methylgalangin", + "names": [ + "8-(1,1-DMA)-3-methylgalangin", + "8-(1,1-Dimethylallyl)-3-methylgalangin" + ] + }, + { + "compound_id": "C11580", + "inchi": "InChI=1S/C21H20O6/c1-5-21(2,3)16-14(23)10-13(22)15-17(24)18(25)19(27-20(15)16)11-6-8-12(26-4)9-7-11/h5-10,22-23,25H,1H2,2-4H3", + "name": "8-(1,1-DMA)kaempferide", + "names": [ + "8-(1,1-DMA)kaempferide", + "8-(1,1-Dimethylallyl)kaempferide" + ] + }, + { + "compound_id": "C11581", + "inchi": "InChI=1S/C20H18O5/c1-4-20(2,3)15-13(22)10-12(21)14-16(23)17(24)18(25-19(14)15)11-8-6-5-7-9-11/h4-10,21-22,24H,1H2,2-3H3", + "name": "8-(1,1-Dimethylallyl)galangin", + "names": [ + "8-(1,1-DMA)galangin", + "8-(1,1-Dimethylallyl)galangin" + ] + }, + { + "compound_id": "C11582", + "inchi": "InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H", + "name": "2-Chlorophenylhydrazine hydrochloride", + "names": [ + "2-Chlorophenylhydrazine hydrochloride", + "o-Chlorophenylhydrazine hydrochloride" + ] + }, + { + "compound_id": "C11583", + "inchi": "InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)", + "name": "4-Glutathionyl cyclophosphamide", + "names": [ + "4-Glutathionyl cyclophosphamide" + ] + }, + { + "compound_id": "C11584", + "inchi": "InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1", + "name": "4-Methylumbelliferone glucuronide", + "names": [ + "4-Methylumbelliferone glucuronide", + "4-Methylumbelliferyl glucuronide" + ] + }, + { + "compound_id": "C11585", + "inchi": "InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)", + "name": "4-Methylumbelliferone sulfate", + "names": [ + "4-Methylumbelliferone sulfate", + "4-Methylumbelliferyl sulfate" + ] + }, + { + "compound_id": "C11586", + "inchi": "InChI=1S/C16H16O7/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-14,16-19H,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1", + "name": "alpha-Naphthyl-beta-D-glucuronide", + "names": [ + "1-Naphthyl glucuronide", + "alpha-Naphthyl-beta-D-glucuronide" + ] + }, + { + "compound_id": "C11587", + "inchi": "InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1", + "name": "BQ 123", + "names": [ + "BQ 123", + "Cyclo[D-trp-D-asp-L-pro-D-val-L-leu]" + ] + }, + { + "compound_id": "C11588", + "inchi": "InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m0/s1", + "name": "cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol", + "names": [ + "3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate", + "cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol", + "cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol" + ] + }, + { + "compound_id": "C11589", + "inchi": "InChI=1S/C32H38N6O7S/c1-17(2)13-21-28(41)34-22(14-18-16-33-20-8-4-3-7-19(18)20)29(42)36-23(15-26(39)40)32(45)38-11-5-9-24(38)30(43)37-27(31(44)35-21)25-10-6-12-46-25/h3-4,6-8,10,12,16-17,21-24,27,33H,5,9,11,13-15H2,1-2H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t21-,22+,23+,24-,27+/m0/s1", + "name": "BQ 518", + "names": [ + "BQ 518" + ] + }, + { + "compound_id": "C11590", + "inchi": "InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3", + "name": "Beauvericin", + "names": [ + "Beauvericin" + ] + }, + { + "compound_id": "C11591", + "inchi": "InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+", + "name": "DIDS", + "names": [ + "4,4'-Diisothiocyanostilbene-2,2'-disulfonic acid", + "DIDS" + ] + }, + { + "compound_id": "C11592", + "inchi": "InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3", + "name": "Diethyl pyrocarbonate", + "names": [ + "Diethyl pyrocarbonate" + ] + }, + { + "compound_id": "C11593", + "inchi": "InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)", + "name": "E3040", + "names": [ + "E3040" + ] + }, + { + "compound_id": "C11594", + "inchi": "InChI=1S/C16H17N3O4S2/c1-9-12(7-11-5-4-6-18-8-11)13-15(24-16(17-3)19-13)10(2)14(9)23-25(20,21)22/h4-6,8H,7H2,1-3H3,(H,17,19)(H,20,21,22)", + "name": "E3040 sulfate", + "names": [ + "E3040 sulfate" + ] + }, + { + "compound_id": "C11595", + "inchi": "InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1", + "name": "E3040 glucuronide", + "names": [ + "E3040 glucuronide" + ] + }, + { + "compound_id": "C11596", + "inchi": "InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1", + "name": "FMLP", + "names": [ + "FMLP", + "N-Formyl-L-methionyl-L-leucyl-L-phenylalanine" + ] + }, + { + "compound_id": "C11597", + "inchi": "InChI=1S/C25H30FN3O9/c1-10-8-28(6-5-27-10)15-7-14-16(11(2)17(15)26)18(30)13(9-29(14)12-3-4-12)24(36)38-25-21(33)19(31)20(32)22(37-25)23(34)35/h7,9-10,12,19-22,25,27,31-33H,3-6,8H2,1-2H3,(H,34,35)/t10?,19-,20-,21+,22-,25-/m0/s1", + "name": "Grepafloxacin glucuronide", + "names": [ + "Grepafloxacin 3-glucuronide", + "Grepafloxacin glucuronide" + ] + }, + { + "compound_id": "C11598", + "inchi": "InChI=1S/ClH.H3NO/c;1-2/h1H;2H,1H2", + "name": "Hydroxylamine hydrochloride", + "names": [ + "Hydroxylamine hydrochloride" + ] + }, + { + "compound_id": "C11599", + "inchi": "InChI=1S/C28H18IN5O5/c1-38-28(37)17-5-3-2-4-16(17)24-18-8-6-14(30)12-22(18)39-23-13-15(7-9-19(23)24)32-27(36)20-10-11-21(33-34-31)25(29)26(20)35/h2-13,30,35H,1H3,(H,32,36)/p+1/i29-2", + "name": "IAARh123", + "names": [ + "IAARh123", + "[125I]Iodoaryl azido-rhodamine 123" + ] + }, + { + "compound_id": "C11600", + "inchi": "InChI=1S/C26H27IN6O3/c1-2-14-13-33-9-7-15(14)10-22(33)25(35)17-6-8-29-24-16(17)4-3-5-20(24)30-26(36)18-11-19(27)21(31-32-28)12-23(18)34/h3-6,8,11-12,14-15,22,25,34-35H,2,7,9-10,13H2,1H3,(H,30,36)/t14-,15?,22-,25+/m0/s1/i27-2", + "name": "IACI", + "names": [ + "IACI", + "N-(Hydrocinchonidin-8'-yl)-4-azido-2-hydroxybenzamide" + ] + }, + { + "compound_id": "C11601", + "inchi": "InChI=1S/C21H23N2S.ClHO4/c1-4-23-19-10-6-7-11-20(19)24-21(23)12-8-5-9-17-13-15-18(16-14-17)22(2)3;2-1(3,4)5/h5-16H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1", + "name": "LDS-751", + "names": [ + "LDS-751" + ] + }, + { + "compound_id": "C11602", + "inchi": "InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1", + "name": "MC-207,110", + "names": [ + "MC-207,110" + ] + }, + { + "compound_id": "C11603", + "inchi": "InChI=1S/C23H34ClN5O8S/c24-7-8-29(15-3-1-14(2-4-15)11-17(26)23(36)37)9-10-38-13-18(21(33)27-12-20(31)32)28-19(30)6-5-16(25)22(34)35/h1-4,16-18H,5-13,25-26H2,(H,27,33)(H,28,30)(H,31,32)(H,34,35)(H,36,37)/t16-,17?,18-/m0/s1", + "name": "Monochloro-monoglutathionyl melphalan", + "names": [ + "Monochloro-monoglutathionyl melphalan" + ] + }, + { + "compound_id": "C11604", + "inchi": "InChI=1S/C23H44N6O5/c1-14(2)11-17(19(31)27-16(13-30)9-8-10-26-21(24)25)28-20(32)18(12-15(3)4)29-22(33)34-23(5,6)7/h13-18H,8-12H2,1-7H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t16?,17?,18-/m0/s1", + "name": "N-tert-Butyloxycarbonyl-deacetyl-leupeptin", + "names": [ + "N-t-Boc-deacetyl-leupeptin", + "N-tert-Butyloxycarbonyl-deacetyl-leupeptin" + ] + }, + { + "compound_id": "C11605", + "inchi": "InChI=1S/C11H11N3O7S/c1-6(15)12-8(11(16)17)5-22-10-3-2-7(13(18)19)4-9(10)14(20)21/h2-4,8H,5H2,1H3,(H,12,15)(H,16,17)/t8-/m0/s1", + "name": "NAc-DNP-Cys", + "names": [ + "N-Acetyl 2,4-dinitrophenyl cysteine", + "N-Acetyl-S-(2,4-dinitrophenyl)-L-cysteine", + "NAc-DNP-Cys" + ] + }, + { + "compound_id": "C11606", + "inchi": "InChI=1S/C32H46N8O5/c1-3-4-16-24(39-31(45)27(37-21(2)41)20-23-14-9-6-10-15-23)29(43)38-25(17-11-18-36-32(34)35)30(44)40-26(28(33)42)19-22-12-7-5-8-13-22/h5-10,12-15,24-27H,3-4,11,16-20H2,1-2H3,(H2,33,42)(H,37,41)(H,38,43)(H,39,45)(H,40,44)(H4,34,35,36)", + "name": "NAc-FnorLRF-amide", + "names": [ + "N-Acetyl-phenylalanyl-norleucyl-arginyl-phenylalanyl-amide", + "NAc-FnorLRF-amide" + ] + }, + { + "compound_id": "C11607", + "inchi": "InChI=1S/C41H69N7O8/c1-22(2)16-31(43-27(11)49)37(52)45-33(18-24(5)6)39(54)47-35(20-26(9)10)41(56)48-34(19-25(7)8)40(55)46-32(17-23(3)4)38(53)44-30(36(42)51)21-28-12-14-29(50)15-13-28/h12-15,22-26,30-35,50H,16-21H2,1-11H3,(H2,42,51)(H,43,49)(H,44,53)(H,45,52)(H,46,55)(H,47,54)(H,48,56)", + "name": "N-Acetyl-leu-leu-leu-leu-leu-tyr-amide", + "names": [ + "N-Acetyl-leu-leu-leu-leu-leu-tyr-amide", + "NAc-L5Y-amide" + ] + }, + { + "compound_id": "C11608", + "inchi": "InChI=1S/C26H30O9/c1-26(2,25(32)34-24-21(29)19(27)20(28)22(33-24)23(30)31)35-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-22,24,27-29H,5,7,9H2,1-2H3,(H,30,31)/t18?,19-,20-,21+,22-,24-/m0/s1", + "name": "Nafenopin glucuronide", + "names": [ + "Nafenopin glucuronide" + ] + }, + { + "compound_id": "C11609", + "inchi": "InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1", + "name": "Nigericin", + "names": [ + "Nigericin" + ] + }, + { + "compound_id": "C11610", + "inchi": "InChI=1S/C33H61N5O9/c1-16(2)12-22(36-32(46)28(18(5)6)38-33(47)29(19(7)8)37-30(44)20(9)10)24(39)14-26(41)34-21(11)31(45)35-23(13-17(3)4)25(40)15-27(42)43/h16-25,28-29,39-40H,12-15H2,1-11H3,(H,34,41)(H,35,45)(H,36,46)(H,37,44)(H,38,47)(H,42,43)/t21-,22-,23-,24-,25-,28-,29-/m0/s1", + "name": "Pepsinostreptin", + "names": [ + "Isobutyryl-Val-Val-Sta-Ala-Sta", + "N-Isobutyrylpepstatin", + "Pepsinostreptin" + ] + }, + { + "compound_id": "C11611", + "inchi": "InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12-/m1/s1", + "name": "Phenyl beta-D-glucopyranoside", + "names": [ + "Phenyl beta-D-glucopyranoside", + "Phenylglucoside", + "phenyl-d-glucopyranoside" + ] + }, + { + "compound_id": "C11612", + "inchi": null, + "name": "Polymyxin B", + "names": [ + "Polymyxin B" + ] + }, + { + "compound_id": "C11613", + "inchi": null, + "name": "Polymyxin B sulfate", + "names": [ + "Polymixin B sulfate", + "Polymyxin B sulfate" + ] + }, + { + "compound_id": "C11614", + "inchi": null, + "name": "Prenyl-Cys methyl esters", + "names": [ + "Prenyl-Cys methyl esters" + ] + }, + { + "compound_id": "C11615", + "inchi": "InChI=1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)", + "name": "Pristinamycin IA", + "names": [ + "4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1", + "Mikamycin B", + "Pristinamycin IA", + "Streptogramin B", + "Vernamycin B alpha" + ] + }, + { + "compound_id": "C11616", + "inchi": "InChI=1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)", + "name": "Pristinamycin IB", + "names": [ + "4-[N-Methyl-4-(methylamino)-L-phenylalanine]virginiamycin S1", + "Pristinamycin IB", + "Vernamycin B beta" + ] + }, + { + "compound_id": "C11617", + "inchi": "InChI=1S/C44H52N8O10/c1-25-41(58)51-21-10-13-31(51)42(59)50(5)33(23-27-15-17-29(18-16-27)49(3)4)43(60)52-22-19-30(53)24-32(52)38(55)48-36(28-11-7-6-8-12-28)44(61)62-26(2)35(39(56)46-25)47-40(57)37-34(54)14-9-20-45-37/h6-9,11-12,14-18,20,25-26,31-33,35-36,54H,10,13,19,21-24H2,1-5H3,(H,46,56)(H,47,57)(H,48,55)", + "name": "Pristinamycin IC", + "names": [ + "2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1", + "Pristinamycin IC", + "Vernamycin B gamma" + ] + }, + { + "compound_id": "C11618", + "inchi": "InChI=1S/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);2*1H/t14-,15+,16?,18+,22+;;/m0../s1", + "name": "Puromycin dihydrochloride", + "names": [ + "Puromycin dihydrochloride" + ] + }, + { + "compound_id": "C11619", + "inchi": "InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13?,14+;;/m1../s1", + "name": "Spectinomycin dihydrochloride", + "names": [ + "Spectinomycin dihydrochloride" + ] + }, + { + "compound_id": "C11620", + "inchi": "InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3", + "name": "Syringetin", + "names": [ + "3',5'-O-Dimethylmyricetin", + "3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone", + "Syringetin" + ] + }, + { + "compound_id": "C11621", + "inchi": "InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3", + "name": "Tectochrysin", + "names": [ + "Techtochrysin", + "Tectochrysin" + ] + }, + { + "compound_id": "C11622", + "inchi": "InChI=1S/C24H24ClN2O/c1-26(2)18-9-11-20-22(13-18)28-23-14-19(27(3)4)10-12-21(23)24(20)17-7-5-16(15-25)6-8-17/h5-14H,15H2,1-4H3/q+1", + "name": "Tetramethylrosamine", + "names": [ + "Tetramethylrosamine" + ] + }, + { + "compound_id": "C11623", + "inchi": "InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3", + "name": "Triton X-100", + "names": [ + "Triton X-100", + "alpha-(4-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl)" + ] + }, + { + "compound_id": "C11624", + "inchi": "InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3", + "name": "Tween 20", + "names": [ + "Tween 20" + ] + }, + { + "compound_id": "C11625", + "inchi": null, + "name": "Tween 80", + "names": [ + "Polysorbate 80", + "Tween 80" + ] + }, + { + "compound_id": "C11626", + "inchi": "InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1", + "name": "Vinblastine sulfate", + "names": [ + "Vinblastine sulfate" + ] + }, + { + "compound_id": "C11627", + "inchi": "InChI=1S/4O.V/q;;;;-3", + "name": "ortho-Vanadate", + "names": [ + "ortho-Vanadate" + ] + }, + { + "compound_id": "C11628", + "inchi": "InChI=1S/C7H9N3.2ClH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H", + "name": "p-Aminobenzamidine dihydrochloride", + "names": [ + "p-Aminobenzamidine dihydrochloride" + ] + }, + { + "compound_id": "C11629", + "inchi": "InChI=1S/C25H37NO8S/c1-19(27)26-20(25(33)34)18-35-22(21(28)14-13-17-24(31)32)15-11-9-7-5-3-2-4-6-8-10-12-16-23(29)30/h3-7,9,11,15,20-22,28H,2,8,10,12-14,16-18H2,1H3,(H,26,27)(H,29,30)(H,31,32)(H,33,34)/b5-3-,6-4-,9-7+,15-11+/t20?,21-,22+/m0/s1", + "name": "omega-Carboxy-N-acetyl-LTE4", + "names": [ + "(7E,9E,11Z,14Z)-(5S,6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraen-1,20-dioate", + "omega-COOH-LTE4NAc", + "omega-Carboxy-N-acetyl-LTE4" + ] + }, + { + "compound_id": "C11630", + "inchi": "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,26,35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1", + "name": "15,16-Dihydrobiliverdin", + "names": [ + "15,16-Dihydrobiliverdin", + "15,16-Dihydrobiliverdin IXalpha" + ] + }, + { + "compound_id": "C11631", + "inchi": "InChI=1S/C10H10N4O6/c15-4-5(16)9(20-6(4)10(18)19)14-2-13-3-7(14)11-1-12-8(3)17/h1-2,4-6,9,15-16H,(H,18,19)(H,11,12,17)/t4-,5+,6-,9+/m0/s1", + "name": "9-Riburonosylhypoxanthine", + "names": [ + "9-Riburonosylhypoxanthine" + ] + }, + { + "compound_id": "C11632", + "inchi": "InChI=1S/C21H22N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,11,15,17-18,22H,8-10H2,1-2H3/b12-3-/t15?,17-,18-,21+/m0/s1", + "name": "Polyneuridine aldehyde", + "names": [ + "Polyneuridine aldehyde" + ] + }, + { + "compound_id": "C11633", + "inchi": "InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13?,15-,17-,18-/m0/s1", + "name": "16-Epivellosimine", + "names": [ + "16-Epivellosimine" + ] + }, + { + "compound_id": "C11634", + "inchi": "InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13?,15-,17+,18+/m1/s1", + "name": "Vellosimine", + "names": [ + "Vellosimine" + ] + }, + { + "compound_id": "C11635", + "inchi": "InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2-/t13?,15-,17+,18+/m1/s1", + "name": "10-Deoxysarpagine", + "names": [ + "10-Deoxysarpagine", + "Sarpagan-17-ol" + ] + }, + { + "compound_id": "C11636", + "inchi": "InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1", + "name": "7-Deoxyloganate", + "names": [ + "7-Deoxyloganate" + ] + }, + { + "compound_id": "C11637", + "inchi": "InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,14-21,25-26H,4,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1", + "name": "3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate", + "names": [ + "3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate" + ] + }, + { + "compound_id": "C11638", + "inchi": "InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)", + "name": "3-Amino-2-oxopropyl phosphate", + "names": [ + "1-Amino-3-(phosphohydroxy)propan-2-one", + "3-Amino-2-oxopropyl phosphate" + ] + }, + { + "compound_id": "C11639", + "inchi": "InChI=1S/C27H34O15/c1-12(28)35-9-17-7-8-18-19(25(33)34-6)10-37-26(21(17)18)42-27-24(40-16(5)32)23(39-15(4)31)22(38-14(3)30)20(41-27)11-36-13(2)29/h7,10,18,20-24,26-27H,8-9,11H2,1-6H3/t18-,20-,21-,22-,23+,24-,26+,27+/m1/s1", + "name": "Geniposide pentaacetate", + "names": [ + "Geniposide pentaacetate", + "Pentaacetyl geniposide" + ] + }, + { + "compound_id": "C11640", + "inchi": "InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1", + "name": "Patrinoside", + "names": [ + "Patrinoside" + ] + }, + { + "compound_id": "C11641", + "inchi": "InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38+,39-,40-,43-,44-,45+,46+/m1/s1", + "name": "3',4'-Anhydrovinblastine", + "names": [ + "3',4'-Anhydrovinblastine" + ] + }, + { + "compound_id": "C11642", + "inchi": "InChI=1S/C21H24N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-8,13,19,22,24H,9-12H2,1-2H3/t13-,19+,20+,21+/m1/s1", + "name": "19-Hydroxytabersonine", + "names": [ + "19-Hydroxytabersonine" + ] + }, + { + "compound_id": "C11643", + "inchi": "InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/t19-,20-,21-/m0/s1", + "name": "16-Hydroxytabersonine", + "names": [ + "16-Hydroxytabersonine" + ] + }, + { + "compound_id": "C11644", + "inchi": "InChI=1S/C17H26O12/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1", + "name": "Lamiide", + "names": [ + "Lamiide" + ] + }, + { + "compound_id": "C11645", + "inchi": "InChI=1S/C18H28O11/c1-7-6-26-16(28-15-13(24)12(23)11(22)9(5-19)27-15)14-17(3,29-8(2)20)4-10(21)18(7,14)25/h6,9-16,19,21-25H,4-5H2,1-3H3/t9-,10-,11-,12+,13-,14-,15+,16+,17+,18-/m1/s1", + "name": "Lamioside", + "names": [ + "Lamioside" + ] + }, + { + "compound_id": "C11646", + "inchi": "InChI=1S/C25H34O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,11,16,18-22,24-25H,7-8,10H2,1-6H3/t11-,16+,18+,19+,20+,21-,22+,24-,25-/m0/s1", + "name": "Deoxyloganin tetraacetate", + "names": [ + "Deoxyloganin tetraacetate" + ] + }, + { + "compound_id": "C11647", + "inchi": "InChI=1S/C24H32O13/c1-10-6-7-15-16(22(29)30)8-32-23(18(10)15)37-24-21(35-14(5)28)20(34-13(4)27)19(33-12(3)26)17(36-24)9-31-11(2)25/h8,10,15,17-21,23-24H,6-7,9H2,1-5H3,(H,29,30)/t10-,15+,17+,18+,19+,20-,21+,23-,24-/m0/s1", + "name": "Deoxyloganic acid tetraacetate", + "names": [ + "Deoxyloganic acid tetraacetate" + ] + }, + { + "compound_id": "C11648", + "inchi": "InChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8-,10-,11-,12-,13+,14-,16+,17+/m1/s1", + "name": "8-Epideoxyloganin", + "names": [ + "8-Epideoxyloganin" + ] + }, + { + "compound_id": "C11649", + "inchi": "InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1", + "name": "8-Epideoxyloganic acid", + "names": [ + "8-Epideoxyloganic acid" + ] + }, + { + "compound_id": "C11650", + "inchi": "InChI=1S/C25H34O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,11,16,18-22,24-25H,7-8,10H2,1-6H3/t11-,16-,18-,19-,20-,21+,22-,24+,25+/m1/s1", + "name": "8-Epideoxyloganin tetraacetate", + "names": [ + "8-Epideoxyloganin tetraacetate" + ] + }, + { + "compound_id": "C11651", + "inchi": "InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8-,9-,10-/m1/s1", + "name": "8-Epiiridodial", + "names": [ + "8-Epiiridodial" + ] + }, + { + "compound_id": "C11652", + "inchi": "InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1", + "name": "8-Epiiridotrial glucoside", + "names": [ + "8-Epiiridotrial glucoside", + "Boschnaloside" + ] + }, + { + "compound_id": "C11653", + "inchi": "InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7-,9+,10+,11+,12+,13-,14+,15-,16-/m0/s1", + "name": "Iridotrial glucoside", + "names": [ + "Iridotrial glucoside" + ] + }, + { + "compound_id": "C11654", + "inchi": "InChI=1S/C16H22O9/c17-3-7-1-2-9-8(4-18)6-23-15(11(7)9)25-16-14(22)13(21)12(20)10(5-19)24-16/h1,4,6,9-17,19-22H,2-3,5H2/t9-,10-,11-,12-,13+,14-,15+,16+/m1/s1", + "name": "Tarennoside", + "names": [ + "Tarennoside" + ] + }, + { + "compound_id": "C11655", + "inchi": "InChI=1S/C26H30O15/c1-10(27)33-7-15-6-17-20-16(24(32)39-17)8-35-25(19(15)20)41-26-23(38-14(5)31)22(37-13(4)30)21(36-12(3)29)18(40-26)9-34-11(2)28/h6,8,17-23,25-26H,7,9H2,1-5H3/t17-,18+,19+,20-,21+,22-,23+,25-,26-/m0/s1", + "name": "Asperuloside tetraacetate", + "names": [ + "Asperuloside tetraacetate" + ] + }, + { + "compound_id": "C11656", + "inchi": "InChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1", + "name": "8-Epiiridodial glucoside", + "names": [ + "8-Epiiridodial glucoside" + ] + }, + { + "compound_id": "C11657", + "inchi": "InChI=1S/C24H34O11/c1-11-7-8-17-12(2)9-30-23(19(11)17)35-24-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)18(34-24)10-29-13(3)25/h9,11,17-24H,7-8,10H2,1-6H3/t11-,17+,18+,19+,20+,21-,22+,23-,24-/m0/s1", + "name": "Iridodial glucoside tetraacetate", + "names": [ + "Iridodial glucoside tetraacetate" + ] + }, + { + "compound_id": "C11658", + "inchi": "InChI=1S/C24H34O11/c1-11-7-8-17-12(2)9-30-23(19(11)17)35-24-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)18(34-24)10-29-13(3)25/h9,11,17-24H,7-8,10H2,1-6H3/t11-,17-,18-,19-,20-,21+,22-,23+,24+/m1/s1", + "name": "8-Epiiridodial glucoside tetraacetate", + "names": [ + "8-Epiiridodial glucoside tetraacetate" + ] + }, + { + "compound_id": "C11659", + "inchi": "InChI=1S/C17H26O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-7,9-14,16-23H,2-4H2,1H3/t6-,7+,9+,10-,11+,12-,13+,14-,16+,17+/m1/s1", + "name": "10-Hydroxyloganin", + "names": [ + "10-Hydroxyloganin" + ] + }, + { + "compound_id": "C11660", + "inchi": "InChI=1S/C17H26O12/c1-25-15(24)7-5-26-16(11-6(7)2-10(20)27-8(11)3-18)29-17-14(23)13(22)12(21)9(4-19)28-17/h5-6,8-14,16-23H,2-4H2,1H3/t6-,8+,9-,10?,11+,12-,13+,14-,16+,17+/m1/s1", + "name": "10-Hydroxymorroniside", + "names": [ + "10-Hydroxymorroniside" + ] + }, + { + "compound_id": "C11661", + "inchi": "InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8+,9+,10+,11+,12-,13+,15-,16-/m0/s1", + "name": "7-Epiloganic acid", + "names": [ + "7-Epiloganic acid" + ] + }, + { + "compound_id": "C11662", + "inchi": "InChI=1S/C25H34O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,17-22,24-25,30H,7,9H2,1-6H3/t10-,15+,17+,18+,19+,20+,21-,22+,24-,25-/m0/s1", + "name": "7-Epiloganin tetraacetate", + "names": [ + "7-Epiloganin tetraacetate" + ] + }, + { + "compound_id": "C11663", + "inchi": "InChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3/t11-,17+,19-,20+,21+,22+,23-,24+,26-,27-/m0/s1", + "name": "Loganin pentaacetate", + "names": [ + "Loganin pentaacetate" + ] + }, + { + "compound_id": "C11664", + "inchi": "InChI=1S/C25H32O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h7,9,16,18-22,24-25H,8,10H2,1-6H3/t16-,18-,19-,20-,21+,22-,24+,25+/m1/s1", + "name": "10-Deoxygeniposide tetraacetate", + "names": [ + "10-Deoxygeniposide tetraacetate" + ] + }, + { + "compound_id": "C11665", + "inchi": "InChI=1S/C25H32O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,16,18-22,24-25H,1,7-8,10H2,2-6H3/t16-,18-,19-,20-,21+,22-,24+,25+/m1/s1", + "name": "7-Deoxygardoside metyl ester tetraacetate", + "names": [ + "7-Deoxygardoside metyl ester tetraacetate" + ] + }, + { + "compound_id": "C11666", + "inchi": "InChI=1S/C26H36O13/c1-12-7-8-19-18(9-32-13(2)27)10-34-25(21(12)19)39-26-24(37-17(6)31)23(36-16(5)30)22(35-15(4)29)20(38-26)11-33-14(3)28/h10,12,19-26H,7-9,11H2,1-6H3/t12-,19+,20+,21+,22+,23-,24+,25-,26-/m0/s1", + "name": "11-Hydroxyiridodial glucoside pentaacetate", + "names": [ + "11-Hydroxyiridodial glucoside pentaacetate" + ] + }, + { + "compound_id": "C11667", + "inchi": "InChI=1S/C26H36O13/c1-12-7-8-19-18(9-32-13(2)27)10-34-25(21(12)19)39-26-24(37-17(6)31)23(36-16(5)30)22(35-15(4)29)20(38-26)11-33-14(3)28/h10,12,19-26H,7-9,11H2,1-6H3/t12-,19-,20-,21-,22-,23+,24-,25+,26+/m1/s1", + "name": "8-epi-11-Hydroxyiridodial glucoside pentaacetate", + "names": [ + "8-epi-11-Hydroxyiridodial glucoside pentaacetate" + ] + }, + { + "compound_id": "C11668", + "inchi": "InChI=1S/C25H32O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,18-22,24-25H,7,9H2,1-6H3/t10-,15+,18+,19+,20+,21-,22+,24-,25-/m0/s1", + "name": "7-Dehydrologanin tetraacetate", + "names": [ + "7-Dehydrologanin tetraacetate" + ] + }, + { + "compound_id": "C11669", + "inchi": "InChI=1S/C25H32O14/c1-9-7-32-24(17-16(9)19(34-12(4)28)22-20(17)38-22)39-25-23(36-14(6)30)21(35-13(5)29)18(33-11(3)27)15(37-25)8-31-10(2)26/h7,15-25H,8H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22+,23-,24+,25+/m1/s1", + "name": "Deutzioside pentaacetate", + "names": [ + "Deutzioside pentaacetate" + ] + }, + { + "compound_id": "C11670", + "inchi": "InChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9+,10+,11+,12+,13-,14+,15-,16-/m0/s1", + "name": "Iridodial glucoside", + "names": [ + "Iridodial glucoside" + ] + }, + { + "compound_id": "C11671", + "inchi": "InChI=1S/C15H22O9/c1-4-3-21-14(7-6(4)9(18)13-12(7)23-13)24-15-11(20)10(19)8(17)5(2-16)22-15/h3,5-20H,2H2,1H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+,15+/m1/s1", + "name": "Deutzioside", + "names": [ + "Deutzioside" + ] + }, + { + "compound_id": "C11672", + "inchi": "InChI=1S/C16H22O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h2,5,7,9-13,15-20H,3-4H2,1H3,(H,21,22)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1", + "name": "10-Deoxygeniposidic acid", + "names": [ + "10-Deoxygeniposidic acid" + ] + }, + { + "compound_id": "C11673", + "inchi": "InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1", + "name": "Geniposidic acid", + "names": [ + "Geniposidic acid" + ] + }, + { + "compound_id": "C11674", + "inchi": "InChI=1S/C17H24O12/c1-24-14(22)6-4-25-16(9-5(6)2-8-27-13(9)15(23)28-8)29-17-12(21)11(20)10(19)7(3-18)26-17/h4-5,7-13,15-21,23H,2-3H2,1H3/t5-,7-,8+,9+,10-,11+,12-,13+,15-,16+,17+/m1/s1", + "name": "Secogalioside", + "names": [ + "Secogalioside" + ] + }, + { + "compound_id": "C11675", + "inchi": "InChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/t20-,21-,22-/m0/s1", + "name": "16-Methoxytabersonine", + "names": [ + "16-Methoxytabersonine" + ] + }, + { + "compound_id": "C11676", + "inchi": "InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15?,17?,19-,20+,21-/m0/s1", + "name": "Lochnericine", + "names": [ + "Lochnericine" + ] + }, + { + "compound_id": "C11677", + "inchi": "InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/t11-,15?,17-,19-,20+,21+/m1/s1", + "name": "Horhammericine", + "names": [ + "Horhammericine" + ] + }, + { + "compound_id": "C11678", + "inchi": "InChI=1S/C21H24N2O4/c1-3-13(11-24)16(17(12-25)21(26)27-2)10-19-20-15(8-9-22-19)14-6-4-5-7-18(14)23-20/h3-7,11-13,16,19,22-23,25H,1,8-10H2,2H3/b17-12-/t13-,16-,19-/m0/s1", + "name": "Dialdehyde", + "names": [ + "Dialdehyde" + ] + }, + { + "compound_id": "C11679", + "inchi": "InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-13,16,19,22H,1,8-10H2,2H3/p+1/t13-,16-,19-/m0/s1", + "name": "4,21-Dehydrocorynantheine aldehyde", + "names": [ + "4,21-Dehydrocorynantheine aldehyde" + ] + }, + { + "compound_id": "C11680", + "inchi": "InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1", + "name": "Cathenamine", + "names": [ + "Cathenamine" + ] + }, + { + "compound_id": "C11681", + "inchi": "InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15+,19+/m1/s1", + "name": "19-epi-Cathenamine", + "names": [ + "19-epi-Cathenamine" + ] + }, + { + "compound_id": "C11682", + "inchi": "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1", + "name": "Tetrahydroalstonine", + "names": [ + "Tetrahydroalstonine" + ] + }, + { + "compound_id": "C11683", + "inchi": "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1", + "name": "19-epi-Ajmalicine", + "names": [ + "19-epi-Ajmalicine" + ] + }, + { + "compound_id": "C11684", + "inchi": "InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1", + "name": "MET-enkephalin", + "names": [ + "MET-enkephalin", + "Methionine enkephalin" + ] + }, + { + "compound_id": "C11685", + "inchi": "InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3", + "name": "Clorgyline", + "names": [ + "Clorgyline" + ] + }, + { + "compound_id": "C11686", + "inchi": "InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)", + "name": "Uracil mustard", + "names": [ + "Uracil mustard" + ] + }, + { + "compound_id": "C11687", + "inchi": "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2", + "name": "Aziridine", + "names": [ + "Aziridine" + ] + }, + { + "compound_id": "C11688", + "inchi": "InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30?,31-/m0/s1", + "name": "Asperlicin", + "names": [ + "Asperlicin" + ] + }, + { + "compound_id": "C11689", + "inchi": "InChI=1S/C23H35NOS/c1-5-11-21(25-4)15-14-18(2)12-9-7-6-8-10-13-20-17-26-23(24-20)22-16-19(22)3/h5,7,9-10,12-13,19-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10+,18-12+/t19-,20+,21-,22+/m0/s1", + "name": "Curacin A", + "names": [ + "Curacin A" + ] + }, + { + "compound_id": "C11690", + "inchi": "InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10-/m0/s1", + "name": "Epibatidine", + "names": [ + "Epibatidine" + ] + }, + { + "compound_id": "C11691", + "inchi": "InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21-/m0/s1", + "name": "Stemmadenine", + "names": [ + "Stemmadenine" + ] + }, + { + "compound_id": "C11692", + "inchi": "InChI=1S/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2?,3?,4?,5-,6?,7-,9?,10?,11?/m0/s1", + "name": "Tetrodotoxin", + "names": [ + "TTX", + "Tetrodotoxin" + ] + }, + { + "compound_id": "C11694", + "inchi": "InChI=1S/C21H14FN3O2/c22-15-2-4-16(5-3-15)25-12-18(21(23)27)20(26)17-6-1-14(11-19(17)25)13-7-9-24-10-8-13/h1-12H,(H2,23,27)", + "name": "Quinoline-3-carboxamides", + "names": [ + "Quinoline-3-carboxamides" + ] + }, + { + "compound_id": "C11695", + "inchi": "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-", + "name": "Anandamide", + "names": [ + "AEA", + "Anandamide", + "Arachidonylethanolamide", + "N-(5Z,8Z,11Z,14Z-icosatetraenoyl)-ethanolamide" + ] + }, + { + "compound_id": "C11696", + "inchi": "InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)/t13-/m0/s1", + "name": "Practolol", + "names": [ + "Practolol" + ] + }, + { + "compound_id": "C11697", + "inchi": "InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1", + "name": "Levcromakalim", + "names": [ + "(-)-Cromakalim", + "Levcromakalim" + ] + }, + { + "compound_id": "C11698", + "inchi": "InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3", + "name": "UH-301", + "names": [ + "UH-301" + ] + }, + { + "compound_id": "C11699", + "inchi": "InChI=1S/C27H26FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1", + "name": "HR 780", + "names": [ + "Glenvastatin", + "HR 780" + ] + }, + { + "compound_id": "C11700", + "inchi": "InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1", + "name": "10-Deacetylbaccatin III", + "names": [ + "10-Deacetylbaccatin III" + ] + }, + { + "compound_id": "C11701", + "inchi": "InChI=1S/C13H12Cl2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2", + "name": "UK-47265", + "names": [ + "UK-47265" + ] + }, + { + "compound_id": "C11702", + "inchi": "InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)", + "name": "Tienilic acid", + "names": [ + "Ticrynafen", + "Tienilic acid" + ] + }, + { + "compound_id": "C11703", + "inchi": "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1", + "name": "L-Isoprenaline", + "names": [ + "L-Isoprenaline", + "Levisoprenaline" + ] + }, + { + "compound_id": "C11704", + "inchi": "InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3", + "name": "DuP 697", + "names": [ + "DuP 697" + ] + }, + { + "compound_id": "C11705", + "inchi": "InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3", + "name": "SC-58125", + "names": [ + "SC-58125" + ] + }, + { + "compound_id": "C11706", + "inchi": "InChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3", + "name": "SC-57666", + "names": [ + "SC-57666" + ] + }, + { + "compound_id": "C11707", + "inchi": "InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3", + "name": "Pronethalol", + "names": [ + "Pronetalol", + "Pronethalol" + ] + }, + { + "compound_id": "C11708", + "inchi": "InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)", + "name": "Sultopride", + "names": [ + "Sultopride" + ] + }, + { + "compound_id": "C11709", + "inchi": "InChI=1S/C19H26N2O3S/c1-4-21-12-6-7-18(21)17-10-9-16(20-17)15-13-14(25(22,23)5-2)8-11-19(15)24-3/h8-11,13,18,20H,4-7,12H2,1-3H3", + "name": "DU 122290", + "names": [ + "DU 122290" + ] + }, + { + "compound_id": "C11710", + "inchi": "InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1", + "name": "Devazepide", + "names": [ + "Devazepide", + "MK-329" + ] + }, + { + "compound_id": "C11711", + "inchi": "InChI=1S/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)/t6-/m0/s1", + "name": "Succinylproline", + "names": [ + "Succinyl-L-proline", + "Succinylproline" + ] + }, + { + "compound_id": "C11712", + "inchi": "InChI=1S/C53H76N14O12/c1-3-29(2)43(51(77)66-25-9-16-39(66)50(76)67-26-10-17-40(67)52(78)79)63-45(71)34(18-20-41(54)68)60-46(72)37-14-7-23-64(37)48(74)35(13-6-22-57-53(55)56)61-47(73)38-15-8-24-65(38)49(75)36(62-44(70)33-19-21-42(69)59-33)27-30-28-58-32-12-5-4-11-31(30)32/h4-5,11-12,28-29,33-40,43,58H,3,6-10,13-27H2,1-2H3,(H2,54,68)(H,59,69)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,78,79)(H4,55,56,57)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1", + "name": "Teprotide", + "names": [ + "Teprotide" + ] + }, + { + "compound_id": "C11713", + "inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H", + "name": "2-Naphthol", + "names": [ + "2-Naphthol", + "beta-Naphthol" + ] + }, + { + "compound_id": "C11714", + "inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H", + "name": "1-Naphthol", + "names": [ + "1-Naphthol", + "alpha-Naphthol" + ] + }, + { + "compound_id": "C11715", + "inchi": "InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3", + "name": "Lucanthone", + "names": [ + "Lucanthone" + ] + }, + { + "compound_id": "C11716", + "inchi": "InChI=1S/C13H21ClN2/c1-4-16(5-2)9-8-15-12-7-6-11(3)13(14)10-12/h6-7,10,15H,4-5,8-9H2,1-3H3", + "name": "Mirasan", + "names": [ + "Mirasan" + ] + }, + { + "compound_id": "C11717", + "inchi": "InChI=1S/C21H36N4O5S/c1-12(2)11-13(18(28)24-17(20(30)22-6)21(3,4)5)23-19(29)14(31)9-10-25-15(26)7-8-16(25)27/h12-14,17,31H,7-11H2,1-6H3,(H,22,30)(H,23,29)(H,24,28)/t13-,14?,17?/m0/s1", + "name": "D1927", + "names": [ + "D1927" + ] + }, + { + "compound_id": "C11718", + "inchi": "InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3", + "name": "L791456", + "names": [ + "Etoricoxib", + "L791456" + ] + }, + { + "compound_id": "C11719", + "inchi": "InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3", + "name": "L787257", + "names": [ + "L787257" + ] + }, + { + "compound_id": "C11720", + "inchi": "InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1", + "name": "Enalaprilate", + "names": [ + "Enalaprilat", + "Enalaprilate" + ] + }, + { + "compound_id": "C11721", + "inchi": "InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15?,16+", + "name": "Candoxatrilat", + "names": [ + "Candoxatrilat" + ] + }, + { + "compound_id": "C11723", + "inchi": "InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)", + "name": "Hexobarbitone", + "names": [ + "Hexobarbital", + "Hexobarbitone" + ] + }, + { + "compound_id": "C11724", + "inchi": "InChI=1S/C23H16O6.2C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6H,1-2H3,(H4,13,14,15,16)", + "name": "Cycloguanil pamoate", + "names": [ + "Cycloguanil pamoate" + ] + }, + { + "compound_id": "C11725", + "inchi": "InChI=1S/C22H27ClN4O3/c1-27(20(28)14-26-22(30)18(25)9-5-6-12-24)19-11-10-16(23)13-17(19)21(29)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14,24-25H2,1H3,(H,26,30)/t18-/m0/s1", + "name": "Avizafone", + "names": [ + "Avizafone", + "LDZ" + ] + }, + { + "compound_id": "C11726", + "inchi": "InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1", + "name": "Chloramphenicol palmitate", + "names": [ + "Chloramphenicol palmitate" + ] + }, + { + "compound_id": "C11727", + "inchi": "InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1", + "name": "Chloramphenicol succinate", + "names": [ + "Chloramphenicol succinate" + ] + }, + { + "compound_id": "C11728", + "inchi": "InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13?,14-,15+,16+,18+/m0/s1", + "name": "Clindamycin phosphate", + "names": [ + "Clindamycin phosphate" + ] + }, + { + "compound_id": "C11729", + "inchi": "InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1", + "name": "Hetacillin", + "names": [ + "Hetacillin" + ] + }, + { + "compound_id": "C11730", + "inchi": "InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-", + "name": "Temoporfin", + "names": [ + "Foscan", + "Temoporfin" + ] + }, + { + "compound_id": "C11731", + "inchi": "InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)", + "name": "m-Chlorobenzamide", + "names": [ + "3-Chlorobenzamide", + "m-Chlorobenzamide" + ] + }, + { + "compound_id": "C11732", + "inchi": "InChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3", + "name": "Diethyl phenyl phosphate", + "names": [ + "Diethyl phenyl phosphate", + "Phosphoric acid, diethyl phenyl ester" + ] + }, + { + "compound_id": "C11733", + "inchi": "InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2", + "name": "Decamethonium", + "names": [ + "Decamethonium" + ] + }, + { + "compound_id": "C11734", + "inchi": "InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)", + "name": "Altanserin", + "names": [ + "Altanserin" + ] + }, + { + "compound_id": "C11735", + "inchi": "InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)", + "name": "N-Ethylglycine", + "names": [ + "N-Ethylglycine" + ] + }, + { + "compound_id": "C11736", + "inchi": "InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1", + "name": "5-Fluorodeoxyuridine", + "names": [ + "5-Fluorodeoxyuridine", + "Floxuridine" + ] + }, + { + "compound_id": "C11737", + "inchi": "InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1", + "name": "CB3717", + "names": [ + "CB3717" + ] + }, + { + "compound_id": "C11738", + "inchi": "InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2", + "name": "m-Chlorophenylpiperazine", + "names": [ + "1-(3-Chlorophenyl)piperazine", + "m-Chlorophenylpiperazine" + ] + }, + { + "compound_id": "C11739", + "inchi": "InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)", + "name": "SB 200646", + "names": [ + "N-(1-Methyl-5-indolyl)-N'-(3-pyridyl)urea", + "SB 200646" + ] + }, + { + "compound_id": "C11740", + "inchi": "InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)", + "name": "SB 206553", + "names": [ + "SB 206553" + ] + }, + { + "compound_id": "C11741", + "inchi": "InChI=1S/C16H14F3N3OS/c1-24-14-7-10-4-6-22(13(10)8-12(14)16(17,18)19)15(23)21-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,23)", + "name": "SB 221284", + "names": [ + "SB 221284" + ] + }, + { + "compound_id": "C11742", + "inchi": "InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)", + "name": "SB 228357", + "names": [ + "SB 228357" + ] + }, + { + "compound_id": "C11743", + "inchi": "InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)", + "name": "SB 243213", + "names": [ + "SB 243213" + ] + }, + { + "compound_id": "C11744", + "inchi": "InChI=1S/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H", + "name": "Salvarsan", + "names": [ + "Arsphenamine", + "Salvarsan" + ] + }, + { + "compound_id": "C11745", + "inchi": "InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19)", + "name": "Succinyl sulfathiazole", + "names": [ + "Succinyl sulfathiazole" + ] + }, + { + "compound_id": "C11746", + "inchi": null, + "name": "Penillic acid", + "names": [ + "Penillic acid" + ] + }, + { + "compound_id": "C11747", + "inchi": "InChI=1/C9H12N2O4S/c1-9(2,16)6(7(12)13)10-3-5-8(14)15-4-11-5/h3-4,6,10,16H,1-2H3,(H,12,13)/b5-3+/t6-/m1/s1/f/h12H", + "name": "Penicillenic acid", + "names": [ + "Penicillenic acid" + ] + }, + { + "compound_id": "C11748", + "inchi": "InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1", + "name": "Flucloxacillin", + "names": [ + "Floxacillin", + "Flucloxacillin" + ] + }, + { + "compound_id": "C11749", + "inchi": "InChI=1S/C16H19N3O4S/c1-16(2)12(15(22)23)19-13(21)11(14(19)24-16)18-10(20)7-8-3-5-9(17)6-4-8/h3-6,11-12,14H,7,17H2,1-2H3,(H,18,20)(H,22,23)/t11-,12+,14-/m1/s1", + "name": "Penicillin T", + "names": [ + "Penicillin T" + ] + }, + { + "compound_id": "C11750", + "inchi": "InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1", + "name": "Pivampicillin", + "names": [ + "Pivampicillin" + ] + }, + { + "compound_id": "C11751", + "inchi": "InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1", + "name": "Talampicillin", + "names": [ + "Talampicillin" + ] + }, + { + "compound_id": "C11752", + "inchi": "InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1", + "name": "Carfecillin", + "names": [ + "Carbenicillin phenyl", + "Carfecillin" + ] + }, + { + "compound_id": "C11754", + "inchi": "InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1", + "name": "Cephaloridine", + "names": [ + "Cefaloridine", + "Cephaloridine" + ] + }, + { + "compound_id": "C11755", + "inchi": "InChI=1S/C13H16N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/b4-3+/t6-,8+,10-/m0/s1", + "name": "Epithienamycin E", + "names": [ + "Epithienamycin E", + "MM13902" + ] + }, + { + "compound_id": "C11756", + "inchi": null, + "name": "6-Methylpenicillin", + "names": [ + "6-Methylpenicillin" + ] + }, + { + "compound_id": "C11757", + "inchi": null, + "name": "Acyl-D-Ala-D-Ala", + "names": [ + "Acyl-D-Ala-D-Ala" + ] + }, + { + "compound_id": "C11758", + "inchi": "InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1", + "name": "Mupirocin", + "names": [ + "Mupirocin" + ] + }, + { + "compound_id": "C11760", + "inchi": "InChI=1S/C18H29NO3/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15/h7-11,16,20H,5-6,12-14H2,1-4H3", + "name": "Amprotropine", + "names": [ + "Amprotropine" + ] + }, + { + "compound_id": "C11761", + "inchi": "InChI=1S/C21H36NO.BrH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1", + "name": "Tridihexethyl bromide", + "names": [ + "Tridihexethyl bromide" + ] + }, + { + "compound_id": "C11762", + "inchi": "InChI=1S/C23H30NO3.ClH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1", + "name": "Propantheline chloride", + "names": [ + "Propantheline chloride" + ] + }, + { + "compound_id": "C11763", + "inchi": "InChI=1S/C12H18N2O2/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2/h5-9H,1-4H3,(H,13,15)", + "name": "Miotine", + "names": [ + "Miotine" + ] + }, + { + "compound_id": "C11764", + "inchi": "InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3", + "name": "Sarin", + "names": [ + "Sarin" + ] + }, + { + "compound_id": "C11765", + "inchi": "InChI=1S/C7H10N2O/c1-9-5-3-2-4-7(9)6-8-10/h3-6,10H,2H2,1H3/b8-6+", + "name": "ProPAM", + "names": [ + "ProPAM" + ] + }, + { + "compound_id": "C11766", + "inchi": "InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1", + "name": "Rivastigmine", + "names": [ + "Rivastigmine" + ] + }, + { + "compound_id": "C11767", + "inchi": "InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3", + "name": "Xanomeline", + "names": [ + "Xanomeline" + ] + }, + { + "compound_id": "C11768", + "inchi": "InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1", + "name": "Levonordefrin", + "names": [ + "Levonordefrin", + "alpha-Methylnoradrenaline" + ] + }, + { + "compound_id": "C11769", + "inchi": "InChI=1S/C12H20N2O4S/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18/h4-6,8,12-16H,7H2,1-3H3/t12-/m0/s1", + "name": "R-Soterenol", + "names": [ + "R-Soterenol" + ] + }, + { + "compound_id": "C11770", + "inchi": "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1", + "name": "R-Salbutamol", + "names": [ + "Levalbuterol", + "R-Salbutamol" + ] + }, + { + "compound_id": "C11771", + "inchi": "InChI=1S/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3/t13-,19+/m1/s1", + "name": "Salmefamol", + "names": [ + "Salmefamol" + ] + }, + { + "compound_id": "C11772", + "inchi": "InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3/t11-/m0/s1", + "name": "DCI", + "names": [ + "DCI", + "Dichloroisoproterenol" + ] + }, + { + "compound_id": "C11773", + "inchi": "InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)", + "name": "Epanolol", + "names": [ + "Epanolol" + ] + }, + { + "compound_id": "C11774", + "inchi": "InChI=1S/C17H23N3O4/c1-12-5-3-4-6-15(12)24-11-14(21)9-18-7-8-20-10-13(2)16(22)19-17(20)23/h3-6,10,14,18,21H,7-9,11H2,1-2H3,(H,19,22,23)", + "name": "Primidolol", + "names": [ + "Primidolol" + ] + }, + { + "compound_id": "C11775", + "inchi": "InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)", + "name": "Xamoterol", + "names": [ + "Xamoterol" + ] + }, + { + "compound_id": "C11776", + "inchi": "InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3", + "name": "alpha-Methyl-m-tyramine", + "names": [ + "Gepefrine", + "alpha-Methyl-m-tyramine" + ] + }, + { + "compound_id": "C11777", + "inchi": "InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)", + "name": "Iproniazid", + "names": [ + "Iproniazid" + ] + }, + { + "compound_id": "C11778", + "inchi": "InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3-6,12-14,18,22H,7-9H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1", + "name": "3-Acetylmorphine", + "names": [ + "3-Acetylmorphine", + "O(3)-Monoacetylmorphine" + ] + }, + { + "compound_id": "C11779", + "inchi": "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3/t11-,12+,14-,17-,18-/m0/s1", + "name": "Heterocodeine", + "names": [ + "Heterocodeine" + ] + }, + { + "compound_id": "C11780", + "inchi": "InChI=1S/C19H23NO3/c1-3-22-15-7-5-12-13-10-11-4-6-14(21)17-16(11)19(12,18(15)23-17)8-9-20(13)2/h4-7,12-13,15,18,21H,3,8-10H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", + "name": "6-Ethylmorphine", + "names": [ + "6-Ethylmorphine" + ] + }, + { + "compound_id": "C11781", + "inchi": "InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", + "name": "6-Acetylmorphine", + "names": [ + "6-Acetylmorphine", + "6-O-Monoacetylmorphine" + ] + }, + { + "compound_id": "C11782", + "inchi": "InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1", + "name": "Dihydromorphine", + "names": [ + "Dihydromorphine" + ] + }, + { + "compound_id": "C11783", + "inchi": "InChI=1S/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13,19,22,24H,5,8-12H2,1-2H3/t13-,19+,20+,21+/m1/s1", + "name": "Minovincinine", + "names": [ + "Minovincinine" + ] + }, + { + "compound_id": "C11784", + "inchi": "InChI=1S/C23H28N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-5,7-8,14,21,24H,6,9-13H2,1-3H3/t14-,21+,22+,23+/m1/s1", + "name": "Echitovenine", + "names": [ + "Echitovenine" + ] + }, + { + "compound_id": "C11785", + "inchi": "InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1", + "name": "Normorphine", + "names": [ + "Normorphine" + ] + }, + { + "compound_id": "C11786", + "inchi": "InChI=1S/C17H19NO4/c1-18(21)7-6-17-10-3-5-13(20)16(17)22-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-,18?/m0/s1", + "name": "Morphine N-oxide", + "names": [ + "Morphine N-oxide" + ] + }, + { + "compound_id": "C11787", + "inchi": "InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1", + "name": "Nalorphine", + "names": [ + "Nalorphine" + ] + }, + { + "compound_id": "C11788", + "inchi": "InChI=1S/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3/t15-,16+,17-/m0/s1", + "name": "N-Methyl morphinan", + "names": [ + "17-Methylmorphinan", + "N-Methyl morphinan" + ] + }, + { + "compound_id": "C11789", + "inchi": "InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14+,15+/m0/s1", + "name": "Metazocine", + "names": [ + "Metazocine" + ] + }, + { + "compound_id": "C11790", + "inchi": "InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m0/s1", + "name": "Phenazocine", + "names": [ + "Phenazocine" + ] + }, + { + "compound_id": "C11791", + "inchi": "InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20+/m1/s1", + "name": "Bremazocine", + "names": [ + "Bremazocine" + ] + }, + { + "compound_id": "C11792", + "inchi": "InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3", + "name": "Ketobemidone", + "names": [ + "Ketobemidone" + ] + }, + { + "compound_id": "C11793", + "inchi": "InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22+,23-,24+,25-/m1/s1", + "name": "Etorphine", + "names": [ + "Etorphine" + ] + }, + { + "compound_id": "C11794", + "inchi": "InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1", + "name": "Diprenorphine", + "names": [ + "Diprenorphine" + ] + }, + { + "compound_id": "C11795", + "inchi": "InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19+/m0/s1", + "name": "Ethylketocyclazocine", + "names": [ + "Ethylketocyclazocine" + ] + }, + { + "compound_id": "C11796", + "inchi": "InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3", + "name": "U 50488", + "names": [ + "U 50488" + ] + }, + { + "compound_id": "C11797", + "inchi": "InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)", + "name": "Tifluadom", + "names": [ + "Tifluadom" + ] + }, + { + "compound_id": "C11798", + "inchi": "InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3", + "name": "Mepyramine", + "names": [ + "Mepyramine", + "Pyrilamine" + ] + }, + { + "compound_id": "C11799", + "inchi": "InChI=1S/C8H14N4S/c1-9-8(13)11-4-2-3-7-5-10-6-12-7/h5-6H,2-4H2,1H3,(H,10,12)(H2,9,11,13)", + "name": "SK&F 91581", + "names": [ + "SK&F 91581" + ] + }, + { + "compound_id": "C11800", + "inchi": "InChI=1S/C8H14N4S2/c1-9-8(13)11-2-3-14-5-7-4-10-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,12)(H2,9,11,13)", + "name": "Thiaburimamide", + "names": [ + "Thiaburimamide" + ] + }, + { + "compound_id": "C11801", + "inchi": "InChI=1S/C10H18N4S/c1-8-9(14-7-13-8)5-3-4-6-12-10(15)11-2/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)", + "name": "4-Methylburimamide", + "names": [ + "4-Methylburimamide" + ] + }, + { + "compound_id": "C11802", + "inchi": "InChI=1S/C8H14N4OS/c1-9-8(14)11-2-3-13-5-7-4-10-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,12)(H2,9,11,14)", + "name": "Oxaburimamide", + "names": [ + "Oxaburimamide" + ] + }, + { + "compound_id": "C11803", + "inchi": "InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)", + "name": "Oxmetidine", + "names": [ + "Oxmetidine" + ] + }, + { + "compound_id": "C11804", + "inchi": "InChI=1S/C18H28N6O/c1-23-18(21-17(19)22-23)20-9-6-12-25-16-8-5-7-15(13-16)14-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H3,19,20,21,22)", + "name": "Lamtidine", + "names": [ + "Lamtidine" + ] + }, + { + "compound_id": "C11805", + "inchi": "InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)", + "name": "Loxtidine", + "names": [ + "Lavoltidine", + "Loxtidine" + ] + }, + { + "compound_id": "C11806", + "inchi": "InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)", + "name": "Pantoprazole", + "names": [ + "Pantoprazole" + ] + }, + { + "compound_id": "C11807", + "inchi": "InChI=1S/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13?,16-,17-,18-,20+,21+/m0/s1", + "name": "Vinorine", + "names": [ + "Vinorine" + ] + }, + { + "compound_id": "C11808", + "inchi": "InChI=1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/b11-3+/t12?,15-,16-,17-,18-,19+,20+,21+/m0/s1", + "name": "1,2-Dihydrovomilenine", + "names": [ + "1,2-Dihydrovomilenine", + "2-beta-(R)-1,2-Dihydrovomilenine" + ] + }, + { + "compound_id": "C11809", + "inchi": "InChI=1S/C21H26N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h4-7,11-12,15-20,22,25H,3,8-9H2,1-2H3/t11?,12?,15-,16-,17-,18-,19+,20+,21+/m0/s1", + "name": "17-O-Acetylnorajmaline", + "names": [ + "17-O-Acetylnorajmaline" + ] + }, + { + "compound_id": "C11810", + "inchi": "InChI=1/C19H24N2O2/c1-2-9-10-7-13-16-19(11-5-3-4-6-12(11)20-16)8-14(15(10)17(19)22)21(13)18(9)23/h3-6,9-10,13-18,20,22-23H,2,7-8H2,1H3/t9-,10-,13-,14-,15?,16-,17+,18+,19+/m0/s1", + "name": "Norajmaline", + "names": [ + "Norajmaline" + ] + }, + { + "compound_id": "C11811", + "inchi": "InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+", + "name": "1-Hydroxy-2-methyl-2-butenyl 4-diphosphate", + "names": [ + "(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate", + "(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate", + "1-Hydroxy-2-methyl-2-butenyl 4-diphosphate" + ] + }, + { + "compound_id": "C11812", + "inchi": "InChI=1S/C22H26N2O4/c1-4-21-10-13(19(25)27-3)17-22(14-6-5-12(26-2)9-15(14)23-17)7-8-24(20(21)22)11-16-18(21)28-16/h5-6,9,16,18,20,23H,4,7-8,10-11H2,1-3H3/t16?,18?,20-,21+,22-/m0/s1", + "name": "Lochnerinine", + "names": [ + "Lochnerinine" + ] + }, + { + "compound_id": "C11813", + "inchi": "InChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13+,15-,18-,19-,20+,21-,23+,24+/m1/s1", + "name": "Demethylalangiside", + "names": [ + "Demethylalangiside" + ] + }, + { + "compound_id": "C11814", + "inchi": "InChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13+,15+,18-,19-,20+,21-,23+,24+/m1/s1", + "name": "Demethylisoalangiside", + "names": [ + "Demethylisoalangiside" + ] + }, + { + "compound_id": "C11815", + "inchi": "InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1", + "name": "Isoalangiside", + "names": [ + "Isoalangiside" + ] + }, + { + "compound_id": "C11816", + "inchi": "InChI=1S/C19H27NO3/c1-4-13-12-20-7-5-15-10-18(22-2)19(23-3)11-16(15)17(20)9-14(13)6-8-21/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3/t13-,14-,17-/m0/s1", + "name": "Protoemetine", + "names": [ + "Protoemetine" + ] + }, + { + "compound_id": "C11817", + "inchi": "InChI=1S/C29H37N3O2/c1-4-18-17-32-12-10-19-15-27(33-2)28(34-3)16-23(19)26(32)14-20(18)13-25-29-22(9-11-30-25)21-7-5-6-8-24(21)31-29/h5-8,15-16,18,20,25-26,30-31H,4,9-14,17H2,1-3H3/t18-,20-,25+,26-/m0/s1", + "name": "Deoxytubulosine", + "names": [ + "Deoxytubulosine" + ] + }, + { + "compound_id": "C11818", + "inchi": "InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1", + "name": "(R)-Canadine", + "names": [ + "(R)-Canadine" + ] + }, + { + "compound_id": "C11819", + "inchi": "InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3", + "name": "Cromakalim", + "names": [ + "Cromakalim" + ] + }, + { + "compound_id": "C11820", + "inchi": "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)", + "name": "alpha-Methyl-m-tyrosine", + "names": [ + "alpha-Methyl-m-tyrosine" + ] + }, + { + "compound_id": "C11821", + "inchi": "InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)", + "name": "5-Hydroxyisourate", + "names": [ + "5-Hydroxyisourate" + ] + }, + { + "compound_id": "C11822", + "inchi": "InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)/t2-/m0/s1", + "name": "2-Aminomalonate semialdehyde", + "names": [ + "2-Aminomalonate semialdehyde", + "2-Ammoniomalonate semialdehyde" + ] + }, + { + "compound_id": "C11823", + "inchi": null, + "name": "2,3-Ene acid", + "names": [ + "2,3-Ene acid" + ] + }, + { + "compound_id": "C11824", + "inchi": null, + "name": "Cyclic amide", + "names": [ + "Cyclic amide" + ] + }, + { + "compound_id": "C11825", + "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1", + "name": "3beta-Hydroxy-5beta-pregnane-20-one", + "names": [ + "3beta-Hydroxy-5beta-pregnane-20-one" + ] + }, + { + "compound_id": "C11826", + "inchi": "InChI=1S/C133H220N16O45P2/c1-73(2)39-29-40-74(3)41-30-42-75(4)43-31-44-76(5)45-32-46-77(6)47-33-48-78(7)49-34-50-79(8)51-35-52-80(9)53-36-54-81(10)55-37-56-82(11)57-38-58-83(12)65-68-183-195(179,180)194-196(181,182)193-133-109(145-95(24)157)117(185-91(20)123(168)137-87(16)121(166)149-99(129(177)178)62-64-105(159)147-97(60-26-28-67-135)125(170)139-85(14)119(164)141-89(18)127(173)174)115(103(72-153)189-133)192-131-107(143-93(22)155)112(162)113(101(70-151)187-131)190-132-108(144-94(23)156)116(114(102(71-152)188-132)191-130-106(142-92(21)154)111(161)110(160)100(69-150)186-130)184-90(19)122(167)136-86(15)120(165)148-98(128(175)176)61-63-104(158)146-96(59-25-27-66-134)124(169)138-84(13)118(163)140-88(17)126(171)172/h39,41,43,45,47,49,51,53,55,57,65,84-91,96-103,106-117,130-133,150-153,160-162H,25-38,40,42,44,46,48,50,52,54,56,58-64,66-72,134-135H2,1-24H3,(H,136,167)(H,137,168)(H,138,169)(H,139,170)(H,140,163)(H,141,164)(H,142,154)(H,143,155)(H,144,156)(H,145,157)(H,146,158)(H,147,159)(H,148,165)(H,149,166)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)/b74-41+,75-43+,76-45-,77-47-,78-49-,79-51-,80-53-,81-55-,82-57-,83-65-/t84-,85-,86+,87+,88-,89-,90-,91-,96+,97+,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-,111-,112-,113?,114?,115?,116-,117-,130?,131?,132?,133-/m1/s1", + "name": "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol", + "names": [ + "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n+1-diphosphoundecaprenol", + "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol", + "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n+1-diphosphoundecaprenol", + "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n-diphosphoundecaprenol" + ] + }, + { + "compound_id": "C11827", + "inchi": "InChI=1S/C135H220N16O49P2/c1-71(2)37-25-38-72(3)39-26-40-73(4)41-27-42-74(5)43-28-44-75(6)45-29-46-76(7)47-30-48-77(8)49-31-50-78(9)51-32-52-79(10)53-33-54-80(11)55-34-56-81(12)65-66-189-201(185,186)200-202(187,188)199-135-109(147-93(24)159)117(191-89(20)123(170)139-85(16)121(168)151-99(131(183)184)62-64-105(161)149-97(60-36-58-95(137)129(179)180)125(172)141-83(14)119(166)143-87(18)127(175)176)115(103(70-155)195-135)198-133-107(145-91(22)157)112(164)113(101(68-153)193-133)196-134-108(146-92(23)158)116(114(102(69-154)194-134)197-132-106(144-90(21)156)111(163)110(162)100(67-152)192-132)190-88(19)122(169)138-84(15)120(167)150-98(130(181)182)61-63-104(160)148-96(59-35-57-94(136)128(177)178)124(171)140-82(13)118(165)142-86(17)126(173)174/h37,39,41,43,45,47,49,51,53,55,65,82-89,94-103,106-117,132-135,152-155,162-164H,25-36,38,40,42,44,46,48,50,52,54,56-64,66-70,136-137H2,1-24H3,(H,138,169)(H,139,170)(H,140,171)(H,141,172)(H,142,165)(H,143,166)(H,144,156)(H,145,157)(H,146,158)(H,147,159)(H,148,160)(H,149,161)(H,150,167)(H,151,168)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/b72-39+,73-41+,74-43-,75-45-,76-47-,77-49-,78-51-,79-53-,80-55-,81-65-/t82-,83-,84+,85+,86-,87-,88-,89-,94-,95-,96+,97+,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-,111-,112-,113?,114?,115?,116-,117-,132?,133?,134?,135-/m1/s1", + "name": "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n-diphosphoundecaprenol", + "names": [ + "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n+1-diphosphoundecaprenol", + "[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n-diphosphoundecaprenol" + ] + }, + { + "compound_id": "C11829", + "inchi": "InChI=1S/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-1/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;", + "name": "13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester", + "names": [ + "13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester", + "13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester" + ] + }, + { + "compound_id": "C11830", + "inchi": "InChI=1S/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;", + "name": "13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester", + "names": [ + "13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester", + "13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester" + ] + }, + { + "compound_id": "C11831", + "inchi": "InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1", + "name": "Divinylprotochlorophyllide", + "names": [ + "2,4-Divinylprotochlorophyllide", + "Divinylprotochlorophyllide", + "Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester" + ] + }, + { + "compound_id": "C11832", + "inchi": "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1", + "name": "Divinyl chlorophyllide a", + "names": [ + "Divinyl chlorophyllide a" + ] + }, + { + "compound_id": "C11833", + "inchi": "InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1+/t6-,7-/m1/s1", + "name": "Isoclavulanic acid", + "names": [ + "Isoclavulanic acid" + ] + }, + { + "compound_id": "C11834", + "inchi": "InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2", + "name": "4-Benzyloxybenzyl alcohol", + "names": [ + "4-Benzyloxybenzyl alcohol" + ] + }, + { + "compound_id": "C11837", + "inchi": "InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1", + "name": "N-Butyryl-L-homoserine lactone", + "names": [ + "N-Butyryl-L-homoserine lactone" + ] + }, + { + "compound_id": "C11838", + "inchi": "InChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1", + "name": "(4S)-4,5-Dihydroxypentan-2,3-dione", + "names": [ + "(4S)-4,5-Dihydroxypentan-2,3-dione" + ] + }, + { + "compound_id": "C11839", + "inchi": "InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)", + "name": "N-(3-Oxohexanoyl)homoserine lactone", + "names": [ + "N-(3-Oxohexanoyl)homoserine lactone" + ] + }, + { + "compound_id": "C11840", + "inchi": "InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)", + "name": "N-(3-Oxododecanoyl)homoserine lactone", + "names": [ + "N-(3-Oxododecanoyl)homoserine lactone" + ] + }, + { + "compound_id": "C11841", + "inchi": "InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1", + "name": "N-(3-Oxooctanoyl)homoserine lactone", + "names": [ + "N-(3-Oxooctanoyl)-L-homoserine lactone", + "N-(3-Oxooctanoyl)homoserine lactone", + "OOHL" + ] + }, + { + "compound_id": "C11842", + "inchi": "InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6?/m0/s1", + "name": "N-(3-(S)-Hydroxybutyryl)homoserine lactone", + "names": [ + "N-(3-(S)-Hydroxybutyryl)homoserine lactone" + ] + }, + { + "compound_id": "C11843", + "inchi": "InChI=1S/C8H15NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,2-5H2,1H3,(H,9,11)(H,12,13)", + "name": "2 -(Butylamido)-4-hydroxybutanoic acid", + "names": [ + "2 -(Butylamido)-4-hydroxybutanoic acid" + ] + }, + { + "compound_id": "C11844", + "inchi": "InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1", + "name": "N-Heptanoylhomoserine lactone", + "names": [ + "N-Heptanoylhomoserine lactone" + ] + }, + { + "compound_id": "C11845", + "inchi": "InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7-/t15?,16-/m0/s1", + "name": "N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone", + "names": [ + "N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone" + ] + }, + { + "compound_id": "C11846", + "inchi": "InChI=1S/C8H12N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1", + "name": "Cyclo(deltaAla-L-Val)", + "names": [ + "Cyclo(deltaAla-L-Val)" + ] + }, + { + "compound_id": "C11847", + "inchi": "InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1", + "name": "Cyclo(L-Phe-L-Pro)", + "names": [ + "Cyclo(L-Phe-L-Pro)" + ] + }, + { + "compound_id": "C11848", + "inchi": "InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,16,19H,2-6,11H2,1H3", + "name": "2-Heptyl-3-hydroxy-quinolone", + "names": [ + "2-Heptyl-3-hydroxy-quinolone" + ] + }, + { + "compound_id": "C11849", + "inchi": "InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3", + "name": "3-Hydroxy-palmitic acid methyl ester", + "names": [ + "3-Hydroxy-palmitic acid methyl ester" + ] + }, + { + "compound_id": "C11850", + "inchi": "InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,37,41,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1", + "name": "Divinylchlorophyll a", + "names": [ + "Divinylchlorophyll a" + ] + }, + { + "compound_id": "C11851", + "inchi": "InChI=1S/C55H75N4O6.Zn/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1", + "name": "Zn-Bacterio-chlorophyll a", + "names": [ + "Zinc bacteriochlorophyll a", + "Zn-Bacterio-chlorophyll a" + ] + }, + { + "compound_id": "C11853", + "inchi": "InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20-/m1/s1", + "name": "Gibberellin A14 aldehyde", + "names": [ + "Gibberellin A14 aldehyde" + ] + }, + { + "compound_id": "C11854", + "inchi": "InChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1", + "name": "Gibberellin A51-catabolite", + "names": [ + "Gibberellin A51-catabolite" + ] + }, + { + "compound_id": "C11855", + "inchi": "InChI=1S/C19H22O6/c1-9-6-18-8-19(9,25)4-3-12(18)11-5-10(20)7-17(2,16(23)24)13(11)14(18)15(21)22/h5,12-14,25H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1", + "name": "Gibberellin A29-catabolite", + "names": [ + "Gibberellin A29-catabolite" + ] + }, + { + "compound_id": "C11856", + "inchi": "InChI=1S/C19H22O6/c1-8-5-17-7-18(8,23)4-3-10(17)19-6-9-13(24-9)16(2,15(22)25-19)12(19)11(17)14(20)21/h9-13,23H,1,3-7H2,2H3,(H,20,21)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1", + "name": "Gibberellin A6", + "names": [ + "Gibberellin A6" + ] + }, + { + "compound_id": "C11857", + "inchi": "InChI=1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1", + "name": "Gibberellin A12", + "names": [ + "Gibberellin A12" + ] + }, + { + "compound_id": "C11858", + "inchi": "InChI=1S/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1", + "name": "Gibberellin A14", + "names": [ + "Gibberellin A14" + ] + }, + { + "compound_id": "C11859", + "inchi": "InChI=1S/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1", + "name": "Gibberellin A37 open lactone", + "names": [ + "Gibberellin A37 open lactone" + ] + }, + { + "compound_id": "C11860", + "inchi": "InChI=1S/C20H28O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h12-15,21H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1", + "name": "Gibberellin A15 open lactone", + "names": [ + "Gibberellin A15 open lactone" + ] + }, + { + "compound_id": "C11861", + "inchi": "InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1", + "name": "Gibberellin A24", + "names": [ + "Gibberellin A24" + ] + }, + { + "compound_id": "C11862", + "inchi": "InChI=1S/C20H26O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1", + "name": "Gibberellin A36", + "names": [ + "Gibberellin A36" + ] + }, + { + "compound_id": "C11863", + "inchi": "InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1", + "name": "Gibberellin A9", + "names": [ + "Gibberellin A9" + ] + }, + { + "compound_id": "C11864", + "inchi": "InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1", + "name": "Gibberellin A4", + "names": [ + "Gibberellin A4" + ] + }, + { + "compound_id": "C11865", + "inchi": "InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1", + "name": "Gibberellin A51", + "names": [ + "Gibberellin A51" + ] + }, + { + "compound_id": "C11866", + "inchi": "InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,6,11-14H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1", + "name": "2,3-Dehydro-gibberellin A9", + "names": [ + "2,3-Dehydro-gibberellin A9", + "2,3-Didehydro-gibberellin A9" + ] + }, + { + "compound_id": "C11867", + "inchi": "InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1", + "name": "Gibberellin A7", + "names": [ + "Gibberellin A7" + ] + }, + { + "compound_id": "C11868", + "inchi": "InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1", + "name": "Gibberellin A34", + "names": [ + "Gibberellin A34" + ] + }, + { + "compound_id": "C11869", + "inchi": "InChI=1S/C19H22O6/c1-8-6-19-7-9(8)3-4-11(19)10-5-12(20)15(21)18(2,17(24)25)13(10)14(19)16(22)23/h5,9,11,13-15,21H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t9-,11+,13-,14-,15+,18+,19+/m1/s1", + "name": "Gibberellin A34-catabolite", + "names": [ + "Gibberellin A34-catabolite" + ] + }, + { + "compound_id": "C11870", + "inchi": "InChI=1S/C19H22O7/c1-8-6-18-7-19(8,26)4-3-10(18)9-5-11(20)14(21)17(2,16(24)25)12(9)13(18)15(22)23/h5,10,12-14,21,26H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t10-,12+,13+,14-,17-,18-,19-/m0/s1", + "name": "Gibberellin A8-catabolite", + "names": [ + "Gibberellin A8-catabolite" + ] + }, + { + "compound_id": "C11871", + "inchi": "InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1", + "name": "Gibberellin A5", + "names": [ + "Gibberellin A5" + ] + }, + { + "compound_id": "C11872", + "inchi": "InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18+,19-,20-/m1/s1", + "name": "Kaur-16-en-18-ol", + "names": [ + "(-)-Kaur-16-en-18-ol", + "Kaur-16-en-18-ol", + "Kaurenol", + "ent-Kaur-16-en-19-ol" + ] + }, + { + "compound_id": "C11873", + "inchi": "InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3/t15-,16-,17+,18+,19-,20-/m1/s1", + "name": "Kaur-16-en-18-al", + "names": [ + "(-)-Kaur-16-en-18-al", + "4alpha-Kaur-16-en-18-al", + "Kaur-16-en-18-al", + "Kaurenal", + "ent-Kaur-16-en-19-al", + "ent-Kaurenal" + ] + }, + { + "compound_id": "C11874", + "inchi": "InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1", + "name": "Kaur-16-en-18-oic acid", + "names": [ + "(-)-Kaur-16-en-19-oic acid", + "Kaur-16-en-18-oic acid", + "Kaurenic acid", + "Kaurenoic acid", + "ent-Kaur-16(17)-en-19-oic acid", + "ent-Kaur-16-en-19-oate", + "ent-Kaur-16-en-19-oic acid", + "ent-Kaurenoic acid" + ] + }, + { + "compound_id": "C11875", + "inchi": "InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20+/m1/s1", + "name": "ent-7alpha-Hydroxykaur-16-en-19-oic acid", + "names": [ + "(-)-Kaur-16-en-7beta-ol-19-oic acid", + "ent-7alpha-Hydroxykaur-16-en-19-oate", + "ent-7alpha-Hydroxykaur-16-en-19-oic acid" + ] + }, + { + "compound_id": "C11876", + "inchi": "InChI=1S/C20H30O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(21)16(20)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19-,20+/m1/s1", + "name": "6beta,7beta-Dihydroxykaurenoic acid", + "names": [ + "6beta,7beta-Dihydroxykaurenoic acid", + "ent-6alpha,7alpha-Dihydroxykaur-16-en-19-oic acid" + ] + }, + { + "compound_id": "C11877", + "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m1/s1", + "name": "(+)-Sandaracopimaradiene", + "names": [ + "(+)-Sandaracopimaradiene" + ] + }, + { + "compound_id": "C11878", + "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1", + "name": "(-)-Abietadiene", + "names": [ + "(-)-Abietadiene", + "Abietadiene" + ] + }, + { + "compound_id": "C11879", + "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,13-14,17-18H,6,8-12H2,1-5H3/t17-,18-,20+/m0/s1", + "name": "Levopimaradiene", + "names": [ + "Levopimaradiene" + ] + }, + { + "compound_id": "C11880", + "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1", + "name": "Neoabietadiene", + "names": [ + "Neoabietadiene" + ] + }, + { + "compound_id": "C11881", + "inchi": "InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13-14,18H,6-12H2,1-5H3/t18-,20+/m0/s1", + "name": "Palustradiene", + "names": [ + "Palustradiene" + ] + }, + { + "compound_id": "C11882", + "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1", + "name": "Abietinol", + "names": [ + "Abietinol", + "Abietol" + ] + }, + { + "compound_id": "C11883", + "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12,14,17-18,21H,5,7-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1", + "name": "Levopimarinol", + "names": [ + "Levopimarinol" + ] + }, + { + "compound_id": "C11884", + "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,17-18,21H,5-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1", + "name": "Neoabietinol", + "names": [ + "Neoabietinol", + "Neoabietol" + ] + }, + { + "compound_id": "C11885", + "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/s1", + "name": "Neoabietal", + "names": [ + "Neoabietal", + "Neoabietinal" + ] + }, + { + "compound_id": "C11886", + "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12-14,17-18H,5,7-11H2,1-4H3/t17-,18-,19-,20+/m0/s1", + "name": "Levopimarinal", + "names": [ + "Levopimarinal" + ] + }, + { + "compound_id": "C11887", + "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1", + "name": "Abietal", + "names": [ + "Abietal", + "Abietaldehyde", + "Abietinal" + ] + }, + { + "compound_id": "C11888", + "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1", + "name": "Levopimaric acid", + "names": [ + "L-Pimaric acid", + "Levopimaric acid" + ] + }, + { + "compound_id": "C11889", + "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1", + "name": "Neoabietic acid", + "names": [ + "Neoabietic acid" + ] + }, + { + "compound_id": "C11890", + "inchi": "InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)16(17)7-6-14-12-15-13-20(14,18)11-10-19(15,4)21/h14-16,21H,5-13H2,1-4H3/t14-,15?,16-,18-,19+,20-/m0/s1", + "name": "Aphidicolan-16beta-ol", + "names": [ + "Aphidicolan-16beta-ol" + ] + }, + { + "compound_id": "C11891", + "inchi": "InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15?,16-,17-,19-,20-/m0/s1", + "name": "Aphidicol-16-ene", + "names": [ + "Aphidicol-16-ene" + ] + }, + { + "compound_id": "C11892", + "inchi": "InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h8,15-17H,5-7,9-13H2,1-4H3/t15?,16-,17-,19-,20-/m0/s1", + "name": "Aphidicol-15-ene", + "names": [ + "Aphidicol-15-ene" + ] + }, + { + "compound_id": "C11893", + "inchi": "InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+", + "name": "Cembrene", + "names": [ + "(+)-Cembrene", + "(+)-Thunbergen", + "Cembrene", + "Thunbergen" + ] + }, + { + "compound_id": "C11894", + "inchi": "InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1", + "name": "Taxa-4(5),11(12)-diene", + "names": [ + "Taxa-4(5),11(12)-diene", + "Taxa-4,11-diene" + ] + }, + { + "compound_id": "C11895", + "inchi": "InChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18-,20+/m0/s1", + "name": "Taxa-4(20),11(12)-dien-5alpha-ol", + "names": [ + "Taxa-4(20),11(12)-dien-5alpha-ol", + "Taxa-4(20),11-dien-5alpha-ol" + ] + }, + { + "compound_id": "C11896", + "inchi": "InChI=1S/C22H34O2/c1-14-7-8-17-13-19-15(2)20(24-16(3)23)10-12-22(19,6)11-9-18(14)21(17,4)5/h17,19-20H,2,7-13H2,1,3-6H3/t17-,19+,20-,22+/m0/s1", + "name": "Taxa-4(20),11(12)-dien-5alpha-yl acetate", + "names": [ + "Taxa-4(20),11(12)-dien-5alpha-yl acetate" + ] + }, + { + "compound_id": "C11897", + "inchi": "InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1", + "name": "Taxa-4(20),11(12)-dien-5alpha,13alpha-diol", + "names": [ + "Taxa-4(20),11(12)-dien-5alpha,13alpha-diol" + ] + }, + { + "compound_id": "C11898", + "inchi": "InChI=1S/C22H34O3/c1-13-7-8-16-11-17-14(2)19(25-15(3)23)9-10-22(17,6)12-18(24)20(13)21(16,4)5/h16-19,24H,2,7-12H2,1,3-6H3/t16-,17+,18-,19-,22-/m0/s1", + "name": "Taxa-4(20),11(12)-dien-5alpha-acetoxy-10beta-ol", + "names": [ + "10beta-Hydroxytaxa-4(20),11-dien-5alpha-yl acetate", + "5alpha-Acetoxytaxa-4(20),11(12)-dien-10beta-ol", + "Taxa-4(20),11(12)-dien-5alpha-acetoxy-10beta-ol" + ] + }, + { + "compound_id": "C11899", + "inchi": "InChI=1S/C22H32O9/c1-9-11(24)7-22(29)18(28)16-20(5,17(27)15(26)14(9)19(22,3)4)12(25)6-13-21(16,8-30-13)31-10(2)23/h11-13,15-16,18,24-26,28-29H,6-8H2,1-5H3/t11-,12-,13+,15+,16-,18-,20+,21-,22+/m0/s1", + "name": "10-Deacetyl-2-debenzoylbaccatin III", + "names": [ + "10-Deacetyl-2-debenzoylbaccatin III" + ] + }, + { + "compound_id": "C11900", + "inchi": "InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1", + "name": "Baccatin III", + "names": [ + "Baccatin III" + ] + }, + { + "compound_id": "C11901", + "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m0/s1", + "name": "Copalyl diphosphate", + "names": [ + "(+)-Copalyl diphosphate", + "Copalyl diphosphate", + "Labdadienyl diphosphate" + ] + }, + { + "compound_id": "C11902", + "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,20-/m1/s1", + "name": "9alpha-Copalyl diphosphate", + "names": [ + "9alpha-Copalyl diphosphate", + "syn-Copalyl diphosphate" + ] + }, + { + "compound_id": "C11903", + "inchi": "InChI=1S/C37H50N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+", + "name": "Methanophenazine", + "names": [ + "2-(2,3-Dihydro-all-trans-pentaprenyloxy)phenazine", + "2-(2,3-Dihydropentaprenyloxy)phenazine", + "Methanophenazine" + ] + }, + { + "compound_id": "C11904", + "inchi": "InChI=1S/C37H52N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32,38-39H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+", + "name": "Dihydromethanophenazine", + "names": [ + "2-(Dihydropentaprenyloxy)-dihydrophenazine", + "Dihydromethanophenazine" + ] + }, + { + "compound_id": "C11905", + "inchi": "InChI=1S/C20H28O4/c1-12-9-19-11-20(12,24)8-5-14(19)17(2)6-4-7-18(3,16(22)23)15(17)13(19)10-21/h10,13-15,24H,1,4-9,11H2,2-3H3,(H,22,23)/t13-,14-,15-,17-,18+,19+,20-/m0/s1", + "name": "Gibberellin A53 aldehyde", + "names": [ + "Gibberellin A53 aldehyde" + ] + }, + { + "compound_id": "C11906", + "inchi": "InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1", + "name": "Sodium arsenite", + "names": [ + "Sodium arsenite", + "Sodium dioxoarsenate" + ] + }, + { + "compound_id": "C11907", + "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15-/m1/s1", + "name": "4,6-Dideoxy-4-oxo-dTDP-D-glucose", + "names": [ + "4,6-Dideoxy-4-oxo-dTDP-D-glucose", + "dTDP-4-dehydro-6-deoxy-D-galactose", + "dTDP-4-dehydro-6-deoxy-D-glucose", + "dTDP-4-dehydro-6-deoxy-alpha-D-galactose", + "dTDP-4-dehydro-6-deoxy-alpha-D-glucose", + "dTDP-4-oxo-6-deoxy-D-glucose", + "dTDP-4-oxo-6-deoxy-alpha-D-glucose" + ] + }, + { + "compound_id": "C11908", + "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-11,13,15,19-20,22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,13-,15-/m1/s1", + "name": "3,6-Dideoxy-3-oxo-dTDP-D-glucose", + "names": [ + "3,6-Dideoxy-3-oxo-dTDP-D-glucose", + "dTDP-3-oxo-6-deoxy-D-glucose", + "dTDP-3-oxo-6-deoxy-alpha-D-glucose" + ] + }, + { + "compound_id": "C11909", + "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-14(7)22)12-4-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)10(20)3-8(2)29-15/h5,8-9,11-13,15,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-,15-/m1/s1", + "name": "dTDP-3-oxo-4,6-dideoxy-D-glucose", + "names": [ + "dTDP-3-oxo-4,6-dideoxy-D-glucose", + "dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose" + ] + }, + { + "compound_id": "C11910", + "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-14(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)9(17)3-8(2)29-15/h5,8-13,15,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-,15-/m1/s1", + "name": "dTDP-3-amino-3,4,6-trideoxy-D-glucose", + "names": [ + "dTDP-3-amino-3,4,6-trideoxy-D-glucose", + "dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose" + ] + }, + { + "compound_id": "C11911", + "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-16(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-17-15(23)11(20(3)4)5-10(2)31-17/h7,10-15,17,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12+,13-,14-,15-,17-/m1/s1", + "name": "dTDP-D-desosamine", + "names": [ + "dTDP-3-dimethylamino-3,4,6-trideoxy-D-glucose", + "dTDP-3-dimethylamino-3,4,6-trideoxy-alpha-D-glucose", + "dTDP-D-desosamine", + "dTDP-alpha-D-desosamine" + ] + }, + { + "compound_id": "C11912", + "inchi": "InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12-,13-,15-/m1/s1", + "name": "dTDP-6-deoxy-D-allose", + "names": [ + "dTDP-6-deoxy-D-allose" + ] + }, + { + "compound_id": "C11913", + "inchi": "InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6-,7-,8?/m1/s1", + "name": "D-Mycinose", + "names": [ + "6-Deoxy-2,3-di-O-methyl-D-allo-hexose", + "D-Mycinose" + ] + }, + { + "compound_id": "C11915", + "inchi": "InChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,17+/m0/s1", + "name": "dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose", + "names": [ + "dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose" + ] + }, + { + "compound_id": "C11916", + "inchi": "InChI=1S/C17H28N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-14,20-21,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,14-,17+/m0/s1", + "name": "dTDP-L-mycarose", + "names": [ + "dTDP-2,6-dideoxy-3-C-methyl-beta-L-ribo-hexose", + "dTDP-L-mycarose", + "dTDP-beta-L-mycarose" + ] + }, + { + "compound_id": "C11917", + "inchi": "InChI=1S/C8H16O4/c1-5-7(10)8(2,11-3)4-6(9)12-5/h5-7,9-10H,4H2,1-3H3/t5-,6?,7-,8+/m0/s1", + "name": "L-Cladinose", + "names": [ + "L-Cladinose" + ] + }, + { + "compound_id": "C11918", + "inchi": "InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3", + "name": "Maltol", + "names": [ + "Maltol" + ] + }, + { + "compound_id": "C11919", + "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12-,13+,14+,15+,16?/m0/s1", + "name": "dTDP-L-megosamine", + "names": [ + "dTDP-L-megosamine" + ] + }, + { + "compound_id": "C11920", + "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+,14-/m0/s1", + "name": "dTDP-L-olivose", + "names": [ + "dTDP-L-olivose" + ] + }, + { + "compound_id": "C11921", + "inchi": "InChI=1S/C17H28N2O14P2/c1-8-6-19(17(23)18-16(8)22)13-4-10(20)12(31-13)7-29-34(24,25)33-35(26,27)32-14-5-11(28-3)15(21)9(2)30-14/h6,9-15,20-21H,4-5,7H2,1-3H3,(H,24,25)(H,26,27)(H,18,22,23)/t9-,10-,11-,12+,13+,14+,15-/m0/s1", + "name": "dTDP-L-oleandrose", + "names": [ + "dTDP-L-oleandrose" + ] + }, + { + "compound_id": "C11922", + "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1", + "name": "dTDP-4-oxo-2,6-dideoxy-D-glucose", + "names": [ + "dTDP-4-oxo-2,6-dideoxy-D-glucose", + "dTDP-4-oxo-2,6-dideoxy-alpha-D-glucose" + ] + }, + { + "compound_id": "C11923", + "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-,14-/m1/s1", + "name": "dTDP-D-olivose", + "names": [ + "dTDP-2,6-dideoxy-D-glucose", + "dTDP-D-olivose", + "dTDP-alpha-D-olivose" + ] + }, + { + "compound_id": "C11924", + "inchi": "InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)", + "name": "Perillic acid", + "names": [ + "Perillic acid" + ] + }, + { + "compound_id": "C11925", + "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12-,13-,15-/m1/s1", + "name": "dTDP-3-amino-3,6-dideoxy-D-glucose", + "names": [ + "dTDP-3-amino-3,6-dideoxy-D-glucose" + ] + }, + { + "compound_id": "C11926", + "inchi": "InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12-,13-,15-/m1/s1", + "name": "dTDP-4-oxo-6-deoxy-D-allose", + "names": [ + "dTDP-4-oxo-6-deoxy-D-allose" + ] + }, + { + "compound_id": "C11927", + "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+/m0/s1", + "name": "dTDP-4-oxo-2,6-dideoxy-L-mannose", + "names": [ + "dTDP-4-oxo-2,6-dideoxy-L-mannose" + ] + }, + { + "compound_id": "C11928", + "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10+,11-,12-,13-/m1/s1", + "name": "dTDP-4-oxo-2,6-dideoxy-D-allose", + "names": [ + "dTDP-4-oxo-2,6-dideoxy-D-allose" + ] + }, + { + "compound_id": "C11929", + "inchi": "InChI=1S/C31H48N7O17P3S/c1-17(2)18-5-7-19(8-6-18)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(3,4)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h7,15-16,18,20,23-25,29,40-41H,1,5-6,8-14H2,2-4H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t18?,20-,23-,24-,25?,29-/m1/s1", + "name": "Perillyl-CoA", + "names": [ + "Perillyl-CoA" + ] + }, + { + "compound_id": "C11930", + "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-/m1/s1", + "name": "dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose", + "names": [ + "dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose" + ] + }, + { + "compound_id": "C11931", + "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h4-5,8-9,11-13,19-20H,3,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,11+,12+,13+/m0/s1", + "name": "dTDP-2,6-dideoxy-L-glycero-hex-2-enos-4-ulose", + "names": [ + "dTDP-2,6-dideoxy-L-glycero-hex-2-enos-4-ulose" + ] + }, + { + "compound_id": "C11932", + "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-14,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,11+,12+,13+,14-/m0/s1", + "name": "dTDP-2,6-dideoxy-L-erythro-hexos-3-ulose", + "names": [ + "dTDP 1-ester with 2,6-dideoxy-L-erythro-hexopyranos-3-ulose", + "dTDP-2,6-dideoxy-L-erythro-hexos-3-ulose" + ] + }, + { + "compound_id": "C11933", + "inchi": "InChI=1S/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14-,15-,17-/m1/s1", + "name": "dTDP-D-mycaminose", + "names": [ + "dTDP-D-mycaminose" + ] + }, + { + "compound_id": "C11934", + "inchi": "InChI=1S/C31H50N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-20,23-25,29,39,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,19?,20-,23-,24-,25?,29-/m1/s1", + "name": "2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA", + "names": [ + "2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA" + ] + }, + { + "compound_id": "C11935", + "inchi": "InChI=1S/C31H48N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-18,20,23-25,29,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,20-,23-,24-,25?,29-/m1/s1", + "name": "4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA", + "names": [ + "4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA", + "4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA" + ] + }, + { + "compound_id": "C11936", + "inchi": "InChI=1S/C31H50N7O19P3S/c1-17(2)18(12-21(40)41)6-5-7-22(42)61-11-10-33-20(39)8-9-34-29(45)26(44)31(3,4)14-54-60(51,52)57-59(49,50)53-13-19-25(56-58(46,47)48)24(43)30(55-19)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,18-19,24-26,30,43-44H,1,5-14H2,2-4H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,19-,24-,25-,26?,30-/m1/s1", + "name": "3-Isopropenylpimelyl-CoA", + "names": [ + "3-Isopropenylpimelyl-CoA" + ] + }, + { + "compound_id": "C11937", + "inchi": "InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1", + "name": "(1S,4R)-1-Hydroxy-2-oxolimonene", + "names": [ + "(1S,4R)-1-Hydroxy-2-oxolimonene", + "(1S,4R)-1-Hydroxymenth-8-en-2-one" + ] + }, + { + "compound_id": "C11938", + "inchi": "InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3", + "name": "Myrtenol", + "names": [ + "2-Pinen-10-ol", + "Myrtenol" + ] + }, + { + "compound_id": "C11939", + "inchi": "InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3", + "name": "Myrtenal", + "names": [ + "Myrtenal" + ] + }, + { + "compound_id": "C11940", + "inchi": "InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)", + "name": "Myrtenic acid", + "names": [ + "6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid", + "Myrtenic acid" + ] + }, + { + "compound_id": "C11941", + "inchi": "InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3", + "name": "Pinocarveol", + "names": [ + "Pinocarveol" + ] + }, + { + "compound_id": "C11942", + "inchi": "InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5+", + "name": "trans-2-Methyl-5-isopropylhexa-2,5-dienal", + "names": [ + "trans-2-Methyl-5-isopropylhexa-2,5-dienal" + ] + }, + { + "compound_id": "C11943", + "inchi": "InChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h6-7H,3,5H2,1-2,4H3,(H,11,12)/b9-6+", + "name": "trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid", + "names": [ + "trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid" + ] + }, + { + "compound_id": "C11944", + "inchi": "InChI=1S/C10H16O2/c1-7(2)8(3)5-6-9(4)10(11)12/h6-7H,3,5H2,1-2,4H3,(H,11,12)/b9-6-", + "name": "cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid", + "names": [ + "cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid" + ] + }, + { + "compound_id": "C11945", + "inchi": "InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23-,24-,25?,29-/m1/s1", + "name": "trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA", + "names": [ + "trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA" + ] + }, + { + "compound_id": "C11946", + "inchi": "InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8-/t20-,23-,24-,25?,29-/m1/s1", + "name": "cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA", + "names": [ + "cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA" + ] + }, + { + "compound_id": "C11947", + "inchi": "InChI=1S/C31H52N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18-20,23-25,29,39,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,19?,20-,23-,24-,25?,29-/m1/s1", + "name": "3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA", + "names": [ + "3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA" + ] + }, + { + "compound_id": "C11948", + "inchi": "InChI=1S/C31H50N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18,20,23-25,29,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,20-,23-,24-,25?,29-/m1/s1", + "name": "2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA", + "names": [ + "2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA" + ] + }, + { + "compound_id": "C11949", + "inchi": "InChI=1S/C28H46N7O17P3S/c1-15(2)16(3)10-19(37)56-9-8-30-18(36)6-7-31-26(40)23(39)28(4,5)12-49-55(46,47)52-54(44,45)48-11-17-22(51-53(41,42)43)21(38)27(50-17)35-14-34-20-24(29)32-13-33-25(20)35/h13-15,17,21-23,27,38-39H,3,6-12H2,1-2,4-5H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1", + "name": "3-Isopropylbut-3-enoyl-CoA", + "names": [ + "3-Isopropylbut-3-enoyl-CoA" + ] + }, + { + "compound_id": "C11950", + "inchi": "InChI=1S/C7H12O2/c1-5(2)6(3)4-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)", + "name": "3-Isopropyl-3-butenoic acid", + "names": [ + "3-Isopropyl-3-butenoic acid", + "3-Isopropylbut-3-enoic acid" + ] + }, + { + "compound_id": "C11951", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", + "name": "(+)-cis-Isopulegone", + "names": [ + "(+)-cis-Isopulegone" + ] + }, + { + "compound_id": "C11952", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1", + "name": "(+)-Isomenthone", + "names": [ + "(+)-Isomenthone" + ] + }, + { + "compound_id": "C11953", + "inchi": "InChI=1S/C33H48O8/c1-18(2)30-23(7)28(35)16-32(41-30)15-25-14-24(40-32)12-11-20(4)29(36)19(3)9-8-10-22(6)33(38)17-27(34)21(5)13-26(33)31(37)39-25/h8-11,13,18-19,23-26,28-30,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,22-10+/t19-,23-,24+,25-,26-,28?,29-,30+,32-,33+/m0/s1", + "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone", + "names": [ + "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone" + ] + }, + { + "compound_id": "C11954", + "inchi": "InChI=1S/C33H46O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-27,29-30,34-35,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26?,27-,29+,30+,32-,33+/m0/s1", + "name": "5-Oxoavermectin ''2b'' aglycone", + "names": [ + "5-Oxoavermectin ''2b'' aglycone" + ] + }, + { + "compound_id": "C11955", + "inchi": "InChI=1S/C33H48O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-30,34-36,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26?,27-,28+,29+,30+,32-,33+/m0/s1", + "name": "Avermectin B2b aglycone", + "names": [ + "Avermectin B2b aglycone" + ] + }, + { + "compound_id": "C11956", + "inchi": "InChI=1S/C34H50O9/c1-18(2)29-22(6)27(35)16-33(43-29)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-30(39-7)21(5)13-26(32(37)41-25)34(23,31)38/h8-11,13,18-19,22,24-31,35-36,38H,12,14-17H2,1-7H3/b9-8+,20-11+,23-10+/t19-,22-,24+,25-,26-,27?,28-,29+,30+,31+,33-,34+/m0/s1", + "name": "Avermectin A2b aglycone", + "names": [ + "Avermectin A2b aglycone" + ] + }, + { + "compound_id": "C11957", + "inchi": "InChI=1S/C40H60O12/c1-20(2)35-24(6)30(41)18-39(52-35)17-28-15-27(51-39)13-12-22(4)36(50-32-16-31(46-8)34(43)25(7)48-32)21(3)10-9-11-26-19-47-37-33(42)23(5)14-29(38(44)49-28)40(26,37)45/h9-12,14,20-21,24-25,27-37,41-43,45H,13,15-19H2,1-8H3/b10-9+,22-12+,26-11+/t21-,24-,25-,27+,28-,29-,30?,31-,32?,33+,34-,35+,36?,37+,39-,40+/m0/s1", + "name": "Avermectin B2b monosaccharide", + "names": [ + "Avermectin B2b monosaccharide" + ] + }, + { + "compound_id": "C11958", + "inchi": "InChI=1S/C41H62O12/c1-21(2)35-25(6)31(42)19-40(53-35)18-29-16-28(52-40)14-13-23(4)36(51-33-17-32(46-8)34(43)26(7)49-33)22(3)11-10-12-27-20-48-38-37(47-9)24(5)15-30(39(44)50-29)41(27,38)45/h10-13,15,21-22,25-26,28-38,42-43,45H,14,16-20H2,1-9H3/b11-10+,23-13?,27-12+/t22-,25-,26-,28+,29-,30-,31?,32-,33?,34-,35+,36?,37+,38+,40-,41+/m0/s1", + "name": "Avermectin A2b monosaccharide", + "names": [ + "Avermectin A2b monosaccharide" + ] + }, + { + "compound_id": "C11959", + "inchi": "InChI=1S/C47H72O15/c1-23(2)41-27(6)34(48)21-46(62-41)20-32-17-31(61-46)15-14-25(4)42(24(3)12-11-13-30-22-55-44-39(49)26(5)16-33(45(51)58-32)47(30,44)52)59-38-19-36(54-10)43(29(8)57-38)60-37-18-35(53-9)40(50)28(7)56-37/h11-14,16,23-24,27-29,31-44,48-50,52H,15,17-22H2,1-10H3/b12-11+,25-14+,30-13+/t24-,27-,28-,29-,31+,32-,33-,34?,35-,36-,37-,38?,39+,40-,41+,42?,43-,44+,46-,47+/m0/s1", + "name": "Avermectin B2b", + "names": [ + "Avermectin B2b" + ] + }, + { + "compound_id": "C11960", + "inchi": "InChI=1S/C48H74O15/c1-24(2)41-28(6)35(49)22-47(63-41)21-33-18-32(62-47)16-15-26(4)42(60-39-20-37(54-10)44(30(8)58-39)61-38-19-36(53-9)40(50)29(7)57-38)25(3)13-12-14-31-23-56-45-43(55-11)27(5)17-34(46(51)59-33)48(31,45)52/h12-15,17,24-25,28-30,32-45,49-50,52H,16,18-23H2,1-11H3/b13-12+,26-15+,31-14+/t25-,28-,29-,30-,32+,33-,34-,35?,36-,37-,38-,39?,40-,41+,42?,43+,44-,45+,47-,48+/m0/s1", + "name": "Avermectin A2b", + "names": [ + "Avermectin A2b" + ] + }, + { + "compound_id": "C11961", + "inchi": "InChI=1S/C33H46O7/c1-19(2)30-22(5)13-14-32(40-30)17-26-16-25(39-32)12-11-21(4)29(35)20(3)9-8-10-24(7)33(37)18-28(34)23(6)15-27(33)31(36)38-26/h8-11,13-15,19-20,22,25-27,29-30,35,37H,12,16-18H2,1-7H3/b9-8+,21-11+,24-10+/t20-,22-,25+,26-,27-,29-,30+,32+,33+/m0/s1", + "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone", + "names": [ + "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone" + ] + }, + { + "compound_id": "C11962", + "inchi": "InChI=1S/C33H44O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-27,29-30,34,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,29+,30+,32+,33+/m0/s1", + "name": "5-Oxoavermectin ''1b'' aglycone", + "names": [ + "5-Oxoavermectin ''1b'' aglycone" + ] + }, + { + "compound_id": "C11963", + "inchi": "InChI=1S/C33H46O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-30,34-35,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,28+,29+,30+,32+,33+/m0/s1", + "name": "Avermectin B1b aglycone", + "names": [ + "Avermectin B1b aglycone" + ] + }, + { + "compound_id": "C11964", + "inchi": "InChI=1S/C34H48O8/c1-19(2)29-22(5)13-14-33(42-29)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-30(38-7)23(6)15-27(32(36)40-26)34(24,31)37/h8-11,13-15,19-20,22,25-31,35,37H,12,16-18H2,1-7H3/b9-8+,21-11?,24-10+/t20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1", + "name": "Avermectin A1b aglycone", + "names": [ + "Avermectin A1b aglycone" + ] + }, + { + "compound_id": "C11965", + "inchi": "InChI=1S/C40H58O11/c1-21(2)35-24(5)14-15-39(51-35)19-29-17-28(50-39)13-12-23(4)36(49-32-18-31(45-8)34(42)26(7)47-32)22(3)10-9-11-27-20-46-37-33(41)25(6)16-30(38(43)48-29)40(27,37)44/h9-12,14-16,21-22,24,26,28-37,41-42,44H,13,17-20H2,1-8H3/b10-9+,23-12?,27-11+/t22-,24-,26-,28+,29-,30-,31-,32?,33+,34-,35+,36?,37+,39+,40+/m0/s1", + "name": "Avermectin B1b monosaccharide", + "names": [ + "Avermectin B1b monosaccharide" + ] + }, + { + "compound_id": "C11966", + "inchi": "InChI=1S/C41H60O11/c1-22(2)35-25(5)15-16-40(52-35)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(45-8)34(42)27(7)48-33)23(3)11-10-12-28-21-47-38-37(46-9)26(6)17-31(39(43)49-30)41(28,38)44/h10-13,15-17,22-23,25,27,29-38,42,44H,14,18-21H2,1-9H3/b11-10+,24-13?,28-12+/t23-,25-,27-,29+,30-,31-,32-,33?,34-,35+,36?,37+,38+,40+,41+/m0/s1", + "name": "Avermectin A1b monosaccharide", + "names": [ + "Avermectin A1b monosaccharide" + ] + }, + { + "compound_id": "C11967", + "inchi": "InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14?,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38?,39+,40-,41+,42?,43-,44+,46+,47+/m0/s1", + "name": "Avermectin B1b", + "names": [ + "Avermectin B1b" + ] + }, + { + "compound_id": "C11968", + "inchi": "InChI=1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39?,40-,41+,42?,43+,44-,45+,47+,48+/m0/s1", + "name": "Avermectin A1b", + "names": [ + "Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-", + "Avermectin A1b" + ] + }, + { + "compound_id": "C11969", + "inchi": "InChI=1S/C34H50O8/c1-8-19(2)31-24(7)29(36)17-33(42-31)16-26-15-25(41-33)13-12-21(4)30(37)20(3)10-9-11-23(6)34(39)18-28(35)22(5)14-27(34)32(38)40-26/h9-12,14,19-20,24-27,29-31,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12+,23-11+/t19-,20-,24-,25+,26-,27-,29?,30-,31+,33-,34+/m0/s1", + "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone", + "names": [ + "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone" + ] + }, + { + "compound_id": "C11970", + "inchi": "InChI=1S/C34H48O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-28,30-31,35-36,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18-,19-,22-,24+,25-,26-,27?,28-,30+,31+,33-,34+/m0/s1", + "name": "5-Oxoavermectin ''2a'' aglycone", + "names": [ + "5-Oxoavermectin ''2a'' aglycone" + ] + }, + { + "compound_id": "C11971", + "inchi": "InChI=1S/C34H50O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-31,35-37,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18-,19-,22-,24+,25-,26-,27?,28-,29+,30+,31+,33-,34+/m0/s1", + "name": "Avermectin B2a aglycone", + "names": [ + "Avermectin B2a aglycone" + ] + }, + { + "compound_id": "C11972", + "inchi": "InChI=1S/C35H52O9/c1-8-19(2)30-23(6)28(36)17-34(44-30)16-26-15-25(43-34)13-12-21(4)29(37)20(3)10-9-11-24-18-41-32-31(40-7)22(5)14-27(33(38)42-26)35(24,32)39/h9-12,14,19-20,23,25-32,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12?,24-11+/t19-,20-,23-,25+,26-,27-,28?,29-,30+,31+,32+,34-,35+/m0/s1", + "name": "Avermectin A2a aglycone", + "names": [ + "Avermectin A2a aglycone" + ] + }, + { + "compound_id": "C11973", + "inchi": "InChI=1S/C41H62O12/c1-9-21(2)37-25(6)31(42)19-40(53-37)18-29-16-28(52-40)14-13-23(4)36(51-33-17-32(47-8)35(44)26(7)49-33)22(3)11-10-12-27-20-48-38-34(43)24(5)15-30(39(45)50-29)41(27,38)46/h10-13,15,21-22,25-26,28-38,42-44,46H,9,14,16-20H2,1-8H3/b11-10+,23-13?,27-12+/t21-,22-,25-,26-,28+,29-,30-,31?,32-,33?,34+,35-,36?,37+,38+,40-,41+/m0/s1", + "name": "Avermectin B2a monosaccharide", + "names": [ + "Avermectin B2a monosaccharide" + ] + }, + { + "compound_id": "C11974", + "inchi": "InChI=1S/C42H64O12/c1-10-22(2)37-26(6)32(43)20-41(54-37)19-30-17-29(53-41)15-14-24(4)36(52-34-18-33(47-8)35(44)27(7)50-34)23(3)12-11-13-28-21-49-39-38(48-9)25(5)16-31(40(45)51-30)42(28,39)46/h11-14,16,22-23,26-27,29-39,43-44,46H,10,15,17-21H2,1-9H3/b12-11+,24-14?,28-13+/t22-,23-,26-,27-,29+,30-,31-,32?,33-,34?,35-,36?,37+,38+,39+,41-,42+/m0/s1", + "name": "Avermectin A2a monosaccharide", + "names": [ + "Avermectin A2a monosaccharide" + ] + }, + { + "compound_id": "C11975", + "inchi": "InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15?,31-14+/t24-,25-,28-,29-,30-,32+,33-,34-,35?,36-,37-,38-,39?,40+,41-,42?,43+,44-,45+,47-,48+/m0/s1", + "name": "Avermectin B2a", + "names": [ + "Avermectin B2a" + ] + }, + { + "compound_id": "C11976", + "inchi": "InChI=1S/C49H76O15/c1-12-25(2)43-29(6)36(50)23-48(64-43)22-34-19-33(63-48)17-16-27(4)42(61-40-21-38(55-10)45(31(8)59-40)62-39-20-37(54-9)41(51)30(7)58-39)26(3)14-13-15-32-24-57-46-44(56-11)28(5)18-35(47(52)60-34)49(32,46)53/h13-16,18,25-26,29-31,33-46,50-51,53H,12,17,19-24H2,1-11H3/b14-13+,27-16+,32-15+/t25-,26-,29-,30-,31-,33+,34-,35-,36?,37-,38-,39-,40?,41-,42?,43+,44+,45-,46+,48-,49+/m0/s1", + "name": "Avermectin A2a", + "names": [ + "Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-", + "Avermectin A2a" + ] + }, + { + "compound_id": "C11977", + "inchi": "InChI=1S/C34H48O7/c1-8-20(2)31-23(5)14-15-33(41-31)18-27-17-26(40-33)13-12-22(4)30(36)21(3)10-9-11-25(7)34(38)19-29(35)24(6)16-28(34)32(37)39-27/h9-12,14-16,20-21,23,26-28,30-31,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12+,25-11+/t20-,21-,23-,26+,27-,28-,30-,31+,33+,34+/m0/s1", + "name": "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone", + "names": [ + "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone" + ] + }, + { + "compound_id": "C11978", + "inchi": "InChI=1S/C34H46O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,13-15,19-20,22,25-28,30-31,35,38H,7,12,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,30+,31+,33+,34+/m0/s1", + "name": "5-Oxoavermectin ''1a'' aglycone", + "names": [ + "5-Oxoavermectin ''1a'' aglycone" + ] + }, + { + "compound_id": "C11979", + "inchi": "InChI=1S/C34H48O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,13-15,19-20,22,25-31,35-36,38H,7,12,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1", + "name": "Avermectin B1a aglycone", + "names": [ + "Avermectin B1a aglycone" + ] + }, + { + "compound_id": "C11980", + "inchi": "InChI=1S/C35H50O8/c1-8-20(2)30-23(5)14-15-34(43-30)18-27-17-26(42-34)13-12-22(4)29(36)21(3)10-9-11-25-19-40-32-31(39-7)24(6)16-28(33(37)41-27)35(25,32)38/h9-12,14-16,20-21,23,26-32,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12?,25-11+/t20-,21-,23-,26+,27-,28-,29-,30+,31+,32+,34+,35+/m0/s1", + "name": "Avermectin A1a aglycone", + "names": [ + "Avermectin A1a aglycone" + ] + }, + { + "compound_id": "C11981", + "inchi": "InChI=1S/C41H60O11/c1-9-22(2)37-25(5)15-16-40(52-37)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(46-8)35(43)27(7)48-33)23(3)11-10-12-28-21-47-38-34(42)26(6)17-31(39(44)49-30)41(28,38)45/h10-13,15-17,22-23,25,27,29-38,42-43,45H,9,14,18-21H2,1-8H3/b11-10+,24-13?,28-12+/t22-,23-,25-,27-,29+,30-,31-,32-,33?,34+,35-,36?,37+,38+,40+,41+/m0/s1", + "name": "Avermectin B1a monosaccharide", + "names": [ + "Avermectin B1a monosaccharide" + ] + }, + { + "compound_id": "C11982", + "inchi": "InChI=1S/C42H62O11/c1-10-23(2)37-26(5)16-17-41(53-37)21-31-19-30(52-41)15-14-25(4)36(51-34-20-33(46-8)35(43)28(7)49-34)24(3)12-11-13-29-22-48-39-38(47-9)27(6)18-32(40(44)50-31)42(29,39)45/h11-14,16-18,23-24,26,28,30-39,43,45H,10,15,19-22H2,1-9H3/b12-11+,25-14?,29-13+/t23-,24-,26-,28-,30+,31-,32-,33-,34?,35-,36?,37+,38+,39+,41+,42+/m0/s1", + "name": "Avermectin A1a monosaccharide", + "names": [ + "Avermectin A1a monosaccharide" + ] + }, + { + "compound_id": "C11983", + "inchi": "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39?,40+,41-,42?,43+,44-,45+,47+,48+/m0/s1", + "name": "Avermectin B1a", + "names": [ + "Avermectin B1a" + ] + }, + { + "compound_id": "C11984", + "inchi": "InChI=1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40?,41-,42?,43+,44+,45-,46+,48+,49+/m0/s1", + "name": "Avermectin A1a", + "names": [ + "Avermectin A1a" + ] + }, + { + "compound_id": "C11985", + "inchi": "InChI=1S/C44H80N2O15/c1-16-30-44(11,54)37(50)23(4)33(47)21(2)19-43(10,61-31-18-29(46(14)15)34(48)26(7)56-31)39(60-41-35(49)28(45(12)13)17-22(3)55-41)24(5)36(25(6)40(52)58-30)59-32-20-42(9,53)38(51)27(8)57-32/h21-32,34-39,41,48-51,53-54H,16-20H2,1-15H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31?,32+,34?,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1", + "name": "Megalomicin A", + "names": [ + "Megalomicin A" + ] + }, + { + "compound_id": "C11986", + "inchi": "InChI=1S/C46H82N2O16/c1-17-32-46(12,56)39(53)24(4)35(50)22(2)20-45(11,64-33-19-31(48(15)16)36(51)27(7)58-33)40(63-43-37(52)30(47(13)14)18-23(3)57-43)25(5)38(26(6)42(54)61-32)62-34-21-44(10,55)41(28(8)59-34)60-29(9)49/h22-28,30-34,36-41,43,51-53,55-56H,17-21H2,1-16H3/t22-,23-,24+,25+,26-,27+,28+,30+,31-,32-,33?,34+,36?,37-,38+,39-,40-,41+,43+,44-,45-,46-/m1/s1", + "name": "Megalomicin B", + "names": [ + "4'-Acetylmegalomycin A", + "Megalomicin B" + ] + }, + { + "compound_id": "C11987", + "inchi": "InChI=1S/C48H84N2O17/c1-18-34-48(13,58)41(56)25(4)37(53)23(2)21-46(11,67-35-20-33(50(16)17)38(54)28(7)60-35)42(65-45-39(55)32(49(14)15)19-24(3)59-45)26(5)40(27(6)44(57)63-34)64-36-22-47(12,66-31(10)52)43(29(8)61-36)62-30(9)51/h23-29,32-36,38-43,45,54-56,58H,18-22H2,1-17H3/t23-,24-,25+,26+,27-,28+,29+,32+,33-,34-,35?,36+,38?,39-,40+,41-,42-,43+,45+,46-,47-,48-/m1/s1", + "name": "Megalomicin C1", + "names": [ + "Megalomicin C1" + ] + }, + { + "compound_id": "C11988", + "inchi": "InChI=1S/C49H86N2O17/c1-18-34-49(13,59)42(57)26(5)38(54)24(3)22-47(11,68-36-21-33(51(16)17)39(55)29(8)61-36)43(66-46-40(56)32(50(14)15)20-25(4)60-46)27(6)41(28(7)45(58)63-34)65-37-23-48(12,67-31(10)52)44(30(9)62-37)64-35(53)19-2/h24-30,32-34,36-37,39-44,46,55-57,59H,18-23H2,1-17H3/t24-,25-,26+,27+,28-,29+,30+,32+,33-,34-,36?,37+,39?,40-,41+,42-,43-,44+,46+,47-,48-,49-/m1/s1", + "name": "Megalomicin C2", + "names": [ + "Megalomicin C2" + ] + }, + { + "compound_id": "C11989", + "inchi": "InChI=1S/C20H36O6/c1-9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-15(7)11(3)18(23)12(4)16(9)21/h9-15,17-19,22-24H,8H2,1-7H3/t9-,10+,11+,12+,13-,14-,15-,17+,18+,19+/m1/s1", + "name": "8,8a-Deoxyoleandolide", + "names": [ + "8,8a-Deoxyoleandolide" + ] + }, + { + "compound_id": "C11990", + "inchi": "InChI=1S/C20H34O7/c1-9-7-20(8-26-20)18(24)12(4)16(22)10(2)14(6)27-19(25)13(5)17(23)11(3)15(9)21/h9-17,21-23H,7-8H2,1-6H3/t9-,10-,11+,12+,13+,14+,15-,16-,17-,20+/m0/s1", + "name": "Oleandolide", + "names": [ + "Oleandolide" + ] + }, + { + "compound_id": "C11991", + "inchi": "InChI=1S/C26H44O10/c1-11-9-26(10-33-26)24(31)14(4)21(29)12(2)16(6)35-25(32)15(5)23(13(3)20(11)28)36-19-8-18(27)22(30)17(7)34-19/h11-23,27-30H,8-10H2,1-7H3/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,26+/m0/s1", + "name": "L-Olivosyl-oleandolide", + "names": [ + "L-Olivosyl-oleandolide" + ] + }, + { + "compound_id": "C11992", + "inchi": "InChI=1S/C27H46O10/c1-12-10-27(11-34-27)25(31)15(4)22(29)13(2)17(6)36-26(32)16(5)24(14(3)21(12)28)37-20-9-19(33-8)23(30)18(7)35-20/h12-24,28-30H,9-11H2,1-8H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,27+/m0/s1", + "name": "L-Oleandrosyl-oleandolide", + "names": [ + "L-Oleandrosyl-oleandolide" + ] + }, + { + "compound_id": "C11993", + "inchi": "InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1", + "name": "10-Deoxymethynolide", + "names": [ + "10-Deoxymethynolide" + ] + }, + { + "compound_id": "C11994", + "inchi": "InChI=1S/C25H43NO6/c1-9-21-14(2)10-11-20(27)15(3)12-16(4)23(18(6)24(29)31-21)32-25-22(28)19(26(7)8)13-17(5)30-25/h10-11,14-19,21-23,25,28H,9,12-13H2,1-8H3/b11-10+/t14-,15-,16+,17-,18-,19+,21-,22-,23+,25+/m1/s1", + "name": "YC-17", + "names": [ + "10-Deoxymethymycin", + "YC-17" + ] + }, + { + "compound_id": "C11995", + "inchi": "InChI=1S/C25H43NO7/c1-13-9-10-20(28)14(2)11-15(3)22(17(5)24(30)32-23(13)18(6)27)33-25-21(29)19(26(7)8)12-16(4)31-25/h9-10,13-19,21-23,25,27,29H,11-12H2,1-8H3/b10-9+/t13?,14-,15+,16-,17-,18-,19+,21-,22+,23+,25+/m1/s1", + "name": "Neomethymycin", + "names": [ + "Neomethymycin" + ] + }, + { + "compound_id": "C11996", + "inchi": "InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1", + "name": "Methymycin", + "names": [ + "Methymycin" + ] + }, + { + "compound_id": "C11997", + "inchi": "InChI=1S/C20H32O5/c1-7-17-11(2)8-9-16(21)12(3)10-13(4)18(22)14(5)19(23)15(6)20(24)25-17/h8-9,11-15,17-18,22H,7,10H2,1-6H3/b9-8+/t11-,12-,13+,14-,15-,17-,18+/m1/s1", + "name": "Narbonolide", + "names": [ + "Narbonolide" + ] + }, + { + "compound_id": "C11998", + "inchi": "InChI=1S/C28H47NO7/c1-10-23-15(2)11-12-22(30)16(3)13-17(4)26(19(6)24(31)20(7)27(33)35-23)36-28-25(32)21(29(8)9)14-18(5)34-28/h11-12,15-21,23,25-26,28,32H,10,13-14H2,1-9H3/b12-11+/t15-,16-,17+,18-,19+,20-,21+,23-,25-,26+,28+/m1/s1", + "name": "Narbomycin", + "names": [ + "Narbomycin" + ] + }, + { + "compound_id": "C11999", + "inchi": "InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1", + "name": "Pikromycin", + "names": [ + "Pikromycin" + ] + }, + { + "compound_id": "C12000", + "inchi": "InChI=1S/C23H38O5/c1-7-18-12-15(4)19(24)10-9-14(3)11-16(5)21(8-2)28-22(26)13-20(25)17(6)23(18)27/h9-11,15-18,20-21,23,25,27H,7-8,12-13H2,1-6H3/b10-9+,14-11+/t15-,16+,17+,18+,20-,21-,23-/m1/s1", + "name": "Tylactone", + "names": [ + "Protylonolide", + "Tylactone" + ] + }, + { + "compound_id": "C12001", + "inchi": "InChI=1S/C31H53NO8/c1-10-22-15-18(4)23(33)13-12-17(3)14-19(5)25(11-2)39-26(35)16-24(34)20(6)30(22)40-31-29(37)27(32(8)9)28(36)21(7)38-31/h12-14,18-22,24-25,27-31,34,36-37H,10-11,15-16H2,1-9H3/b13-12+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30?,31?/m1/s1", + "name": "5-O-beta-D-Mycaminosyltylactone", + "names": [ + "5-O-beta-D-Mycaminosyltylactone" + ] + }, + { + "compound_id": "C12002", + "inchi": "InChI=1S/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30?,31?/m1/s1", + "name": "5-O-beta-D-Mycaminosyltylonolide", + "names": [ + "5-O-beta-D-Mycaminosyltylonolide" + ] + }, + { + "compound_id": "C12003", + "inchi": "InChI=1S/C37H61NO14/c1-9-27-24(17-48-36-34(47)33(46)31(44)22(6)49-36)14-18(2)10-11-25(40)19(3)15-23(12-13-39)35(20(4)26(41)16-28(42)51-27)52-37-32(45)29(38(7)8)30(43)21(5)50-37/h10-11,13-14,19-24,26-27,29-37,41,43-47H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22-,23+,24-,26-,27-,29+,30-,31-,32-,33-,34-,35?,36-,37?/m1/s1", + "name": "Demethyllactenocin", + "names": [ + "Demethyllactenocin" + ] + }, + { + "compound_id": "C12006", + "inchi": "InChI=1S/C42H67N5O21S/c1-21(2)12-10-8-6-7-9-11-13-23(63-28(51)17-22(3)16-27(49)50)18-29(52)64-25-20-45(4)31(38(56)46(5)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(19-43)65-41)36-33(54)34(55)39(66-36)47-15-14-26(48)44-42(47)59/h14-15,21-25,30-37,39,41,53-55H,6-13,16-20,43H2,1-5H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)/t22?,23?,24-,25?,30?,31+,32-,33+,34-,35-,36+,37-,39-,41+/m1/s1", + "name": "Liposidomycin B", + "names": [ + "Liposidomycin B" + ] + }, + { + "compound_id": "C12007", + "inchi": "InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20?,26?,27?,28?,29-,31?,35-/m1/s1", + "name": "Mureidomycin A", + "names": [ + "MRD A", + "Mureidomycin A" + ] + }, + { + "compound_id": "C12008", + "inchi": "InChI=1S/C119H154ClN21O40/c1-54(2)17-11-9-14-22-82(153)127-77(50-81(123)152)107(166)141-93-99(101(124)160)180-117(176)92(66-33-44-78(151)72(120)49-66)140-102(161)56(5)126-105(164)75(47-55(3)4)128-83(154)51-125-108(167)87(61-23-34-67(147)35-24-61)136-111(170)86(59(8)146)134-113(172)89(65-31-42-71(43-32-65)177-119-100(97(158)95(156)80(53-143)179-119)181-118-98(159)96(157)94(155)79(52-142)178-118)135-104(163)73(20-15-45-121)129-106(165)76(48-60-18-12-10-13-19-60)131-109(168)84(57(6)144)133-114(173)90(63-27-38-69(149)39-28-63)138-115(174)91(64-29-40-70(150)41-30-64)137-110(169)85(58(7)145)132-103(162)74(21-16-46-122)130-112(171)88(139-116(93)175)62-25-36-68(148)37-26-62/h9-14,18-19,22-44,49,54-59,73-77,79-80,84-100,118-119,142-151,155-159H,15-17,20-21,45-48,50-53,121-122H2,1-8H3,(H2,123,152)(H2,124,160)(H,125,167)(H,126,164)(H,127,153)(H,128,154)(H,129,165)(H,130,171)(H,131,168)(H,132,162)(H,133,173)(H,134,172)(H,135,163)(H,136,170)(H,137,169)(H,138,174)(H,139,175)(H,140,161)(H,141,166)/b11-9+,22-14-/t56-,57+,58-,59-,73-,74-,75+,76+,77+,79-,80-,84+,85-,86-,87+,88-,89+,90-,91+,92+,93+,94-,95-,96+,97+,98+,99+,100?,118?,119+/m1/s1", + "name": "Ramoplanin A2", + "names": [ + "Ramoplanin A2" + ] + }, + { + "compound_id": "C12009", + "inchi": "InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33+,36-,37-,38?,40?,42+,43-/m1/s1", + "name": "Telithromycin", + "names": [ + "HMR-3647", + "HMR3647", + "RU-66647", + "RU66647", + "Telithromycin" + ] + }, + { + "compound_id": "C12011", + "inchi": "InChI=1S/C27H35N5O8/c1-30(2)10-16(33)29-14-9-15(31(3)4)12-7-11-8-13-20(32(5)6)23(36)19(26(28)39)25(38)27(13,40)24(37)17(11)22(35)18(12)21(14)34/h9,11,13,20,34,36-37,40H,7-8,10H2,1-6H3,(H2,28,39)(H,29,33)/t11-,13-,20-,27-/m0/s1", + "name": "DMG-MINO", + "names": [ + "9-(N,N-Dimethylglycylamido)minocycline", + "DMG-MINO" + ] + }, + { + "compound_id": "C12012", + "inchi": "InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1", + "name": "Tigecycline", + "names": [ + "GAR 936", + "Tigecycline", + "WAY-GAR-936" + ] + }, + { + "compound_id": "C12013", + "inchi": "InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37?,43+,44+,45+,46+,47+,48+,49+,50-,60+,61?/m1/s1", + "name": "Daptomycin", + "names": [ + "Daptomycin" + ] + }, + { + "compound_id": "C12014", + "inchi": "InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48?,49?,51+,52+,53?,54+,55-,56+,57+,58-,59?,61?,62-,63-,71-,72-,73-/m0/s1", + "name": "Chloroeremomycin", + "names": [ + "Chloroeremomycin" + ] + }, + { + "compound_id": "C12016", + "inchi": "InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1", + "name": "A47934", + "names": [ + "A47934" + ] + }, + { + "compound_id": "C12017", + "inchi": "InChI=1S/C21H23N3O7S2/c1-8-14-13(9(2)25)18(27)24(14)15(20(30)31)16(8)33-21-23-12(7-32-21)17(26)22-11-5-3-4-10(6-11)19(28)29/h3-6,8-9,12-14,21,23,25H,7H2,1-2H3,(H,22,26)(H,28,29)(H,30,31)", + "name": "MK826", + "names": [ + "MK826" + ] + }, + { + "compound_id": "C12018", + "inchi": "InChI=1S/C20H20N4O5S2/c1-9-15-14(10(2)25)18(27)24(15)16(19(28)29)17(9)31-20-22-12(8-30-20)11-3-5-23(6-4-11)7-13(21)26/h3-6,8-10,14-15,25H,7H2,1-2H3,(H2-,21,26,28,29)/p+1/t9-,10-,14-,15-/m1/s1", + "name": "SM-17466", + "names": [ + "SM-17466" + ] + }, + { + "compound_id": "C12019", + "inchi": "InChI=1S/C21H19NO4/c1-12(23)18-17-11-16(19(21(25)26)22(17)20(18)24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,17-18,23H,11H2,1H3,(H,25,26)", + "name": "2-(Biaryl)carbapenems", + "names": [ + "2-(Biaryl)carbapenems" + ] + }, + { + "compound_id": "C12020", + "inchi": "InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25?,26+,27-,31+,32-,35-,36-,37?,39?,41+,42-/m1/s1", + "name": "Cethromycin", + "names": [ + "A-195773", + "ABT-773", + "Abbott-195773", + "Cethromycin" + ] + }, + { + "compound_id": "C12021", + "inchi": "InChI=1S/C3H8NO5P/c1-2(4)3(5)9-10(6,7)8/h2H,4H2,1H3,(H2,6,7,8)/t2-/m1/s1", + "name": "Alanylphosphate", + "names": [ + "Alanylphosphate", + "D-Alanyl-phosphate" + ] + }, + { + "compound_id": "C12022", + "inchi": "InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15?/m0/s1", + "name": "Phosphophosphinate", + "names": [ + "Phosphophosphinate" + ] + }, + { + "compound_id": "C12023", + "inchi": "InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26-27H,3-11,13H2,1-2H3/b24-18+", + "name": "Undecylprodigiosin", + "names": [ + "2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole", + "Undecylprodigiosin" + ] + }, + { + "compound_id": "C12024", + "inchi": "InChI=1S/C67H80N14O26/c1-4-9-44-55(107-44)66(104)77-43(27-82)61(99)80-51-29(3)106-67(105)42(20-32-25-70-37-13-8-6-11-35(32)37)76-62(100)50(28(2)18-46(85)86)79-65(103)53(54(93)56(68)94)78-45(84)26-71-57(95)39(21-47(87)88)75-64(102)52(30-14-16-33(83)17-15-30)81-60(98)41(23-49(91)92)73-59(97)40(22-48(89)90)72-58(96)38(74-63(51)101)19-31-24-69-36-12-7-5-10-34(31)36/h5-8,10-17,24-25,28-29,38-44,50-55,69-70,82-83,93H,4,9,18-23,26-27H2,1-3H3,(H2,68,94)(H,71,95)(H,72,96)(H,73,97)(H,74,101)(H,75,102)(H,76,100)(H,77,104)(H,78,84)(H,79,103)(H,80,99)(H,81,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t28-,29?,38+,39-,40-,41-,42-,43-,44?,50-,51-,52+,53+,54-,55?/m0/s1", + "name": "Calcium-dependent antibiotic", + "names": [ + "CDA", + "Calcium-dependent antibiotic" + ] + }, + { + "compound_id": "C12025", + "inchi": "InChI=1S/C9H18N2O5/c10-5(7(12)4-8(13)14)2-1-3-6(11)9(15)16/h5-7,12H,1-4,10-11H2,(H,13,14)(H,15,16)", + "name": "2,6-Diamino-7-hydroxy-azelaic acid", + "names": [ + "2,6-Diamino-7-hydroxy-azelaic acid" + ] + }, + { + "compound_id": "C12026", + "inchi": "InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1", + "name": "3,5-Dihydroxy-phenylglycine", + "names": [ + "3,5-Dihydroxy-phenylglycine", + "L-3,5-Dihydroxyphenylglycine" + ] + }, + { + "compound_id": "C12027", + "inchi": "InChI=1S/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9?/m0/s1", + "name": "2-Amino-9,10-epoxy-8-oxodecanoic acid", + "names": [ + "2-Amino-9,10-epoxy-8-oxodecanoic acid" + ] + }, + { + "compound_id": "C12029", + "inchi": "InChI=1S/C9H17NO3/c1-3-4-5-6(2)8(11)7(10)9(12)13/h3-4,6-8,11H,5,10H2,1-2H3,(H,12,13)/b4-3+/t6-,7+,8-/m1/s1", + "name": "(E)-2-Butenyl-4-methyl-threonine", + "names": [ + "(E)-2-Butenyl-4-methyl-threonine", + "2-Butenyl-4-methylthreonine" + ] + }, + { + "compound_id": "C12030", + "inchi": null, + "name": "Mycosubtilin", + "names": [ + "Mycosubtilin" + ] + }, + { + "compound_id": "C12032", + "inchi": "InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1", + "name": "Clorobiocin", + "names": [ + "Chlorobiocin", + "Clorobiocin" + ] + }, + { + "compound_id": "C12033", + "inchi": "InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1", + "name": "p-Aminophenylalanine", + "names": [ + "p-Aminophenylalanine" + ] + }, + { + "compound_id": "C12034", + "inchi": "InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61?,62?,64+,65+,66?,67+,68-,69+,70+,71-,72?,74?,75-,76-,84-,85-,86-/m0/s1", + "name": "Chlorobiphenyl-chloroeremomycin", + "names": [ + "Chlorobiphenyl-chloroeremomycin", + "LY333328", + "Oritavancin" + ] + }, + { + "compound_id": "C12035", + "inchi": "InChI=1S/C79H84Cl3N9O24/c1-32(2)20-47(84-5)71(102)90-62-64(97)38-13-18-51(45(81)22-38)111-53-24-40-25-54(68(53)115-78-69(67(100)66(99)55(31-92)113-78)114-57-29-79(4,70(101)33(3)110-57)85-30-34-6-8-35(9-7-34)36-10-15-41(80)16-11-36)112-52-19-14-39(23-46(52)82)65(98)63-76(107)89-61(77(108)109)44-26-42(93)27-50(95)58(44)43-21-37(12-17-49(43)94)59(73(104)91-63)88-74(105)60(40)87-72(103)48(28-56(83)96)86-75(62)106/h6-19,21-27,32-33,47-48,55,57,59-67,69-70,78,84-85,92-95,97-101H,20,28-31H2,1-5H3,(H2,83,96)(H,86,106)(H,87,103)(H,88,105)(H,89,107)(H,90,102)(H,91,104)(H,108,109)/t33-,47+,48-,55+,57?,59+,60+,61?,62+,63-,64+,65+,66+,67-,69?,70+,78-,79-/m0/s1", + "name": "Chlorobiphenyl-vancomycin", + "names": [ + "Chlorobiphenyl-vancomycin" + ] + }, + { + "compound_id": "C12036", + "inchi": "InChI=1S/C72H71Cl3N8O23/c1-28-64(93)72(2,78-26-29-3-5-30(6-4-29)31-7-12-36(73)13-8-31)25-51(101-28)105-63-61(92)60(91)49(27-84)104-71(63)106-62-47-20-35-21-48(62)103-46-16-11-34(19-41(46)75)59(90)57-69(98)82-56(70(99)100)39-22-37(85)23-44(87)52(39)38-17-32(9-14-43(38)86)54(67(96)83-57)81-68(97)55(35)80-65(94)42(24-50(76)88)79-66(95)53(77)58(89)33-10-15-45(102-47)40(74)18-33/h3-23,28,42,49,51,53-61,63-64,71,78,84-87,89-93H,24-27,77H2,1-2H3,(H2,76,88)(H,79,95)(H,80,94)(H,81,97)(H,82,98)(H,83,96)(H,99,100)/t28-,42-,49+,51?,53+,54+,55+,56?,57-,58+,59+,60+,61-,63?,64+,71-,72-/m0/s1", + "name": "Chlorobiphenyl-desleucyl-vancomycin", + "names": [ + "Chlorobiphenyl-desleucyl-vancomycin" + ] + }, + { + "compound_id": "C12037", + "inchi": "InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13?/m1/s1", + "name": "Pyochelin", + "names": [ + "Pyochelin" + ] + }, + { + "compound_id": "C12038", + "inchi": "InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17?,21+/m0/s1", + "name": "Yersiniabactin", + "names": [ + "Yersiniabactin" + ] + }, + { + "compound_id": "C12039", + "inchi": "InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1", + "name": "Epothilone D", + "names": [ + "Desoxyepothilone b", + "Epothilone D" + ] + }, + { + "compound_id": "C12040", + "inchi": "InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37-21)19-27-11(3-35-19)20-29-13(5-36-20)22-31-15(7-38-22)26-32-16(8-42-26)23-33-18(10(2)40-23)25(34-17)41-9/h3-7,16H,8H2,1-2H3", + "name": "Telomestatin", + "names": [ + "Telomestatin" + ] + }, + { + "compound_id": "C12041", + "inchi": "InChI=1S/C66H87N13O13/c1-38(2)32-47-59(85)77-52(36-42-20-12-7-13-21-42)66(92)79-31-15-23-53(79)64(90)76-49(34-41-18-10-6-11-19-41)61(87)74-48(33-40-16-8-5-9-17-40)60(86)75-51(37-55(69)82)62(88)70-46(28-29-54(68)81)58(84)73-50(35-43-24-26-44(80)27-25-43)63(89)78-56(39(3)4)65(91)71-45(22-14-30-67)57(83)72-47/h5-13,16-21,24-27,38-39,45-53,56,80H,14-15,22-23,28-37,67H2,1-4H3,(H2,68,81)(H2,69,82)(H,70,88)(H,71,91)(H,72,83)(H,73,84)(H,74,87)(H,75,86)(H,76,90)(H,77,85)(H,78,89)/t45-,46-,47-,48+,49-,50-,51-,52+,53-,56-/m0/s1", + "name": "Tyrocidine", + "names": [ + "Tyrocidine" + ] + }, + { + "compound_id": "C12042", + "inchi": "InChI=1S/C72H110N12O20/c1-6-8-9-10-11-12-13-14-15-16-17-20-48(87)41-58(89)76-51(32-35-59(90)91)65(96)77-50(21-18-37-73)64(95)80-55-40-46-25-29-49(30-26-46)104-72(103)61(42(3)7-2)82-67(98)54(39-45-23-27-47(86)28-24-45)81-66(97)52(31-34-57(74)88)78-69(100)56-22-19-38-84(56)71(102)43(4)75-63(94)53(33-36-60(92)93)79-70(101)62(44(5)85)83-68(55)99/h23-30,42-44,48,50-56,61-62,85-87H,6-22,31-41,73H2,1-5H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)/t42-,43-,44+,48?,50-,51+,52+,53+,54+,55-,56+,61+,62+/m1/s1", + "name": "Fengycin", + "names": [ + "Fengycin" + ] + }, + { + "compound_id": "C12043", + "inchi": "InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1", + "name": "Surfactin", + "names": [ + "Surfactin" + ] + }, + { + "compound_id": "C12044", + "inchi": "InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1", + "name": "Rifamycin", + "names": [ + "Rifamycin", + "Rifamycin SV" + ] + }, + { + "compound_id": "C12045", + "inchi": "InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1", + "name": "Ansamitocin P3", + "names": [ + "2'-De(acetylmethylamino)-2'-methylmaytansine", + "Ansamitocin P3", + "Ansamitosin P3", + "Antibiotic C15003P3", + "C15003P3", + "Maytansinol isobutyrate" + ] + }, + { + "compound_id": "C12046", + "inchi": "InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66?,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77?,86?,87+,88+/m1/s1", + "name": "Teicoplanin A2-2", + "names": [ + "Teichomycin A2 factor 2", + "Teicoplanin A2-2" + ] + }, + { + "compound_id": "C12047", + "inchi": "InChI=1/C47H78O14.Na/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42;/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52);/b24-17+;/t25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+;/m1./s1/f/h51H;", + "name": "Nanchangmycin", + "names": [ + "Nanchangmycin" + ] + }, + { + "compound_id": "C12048", + "inchi": "InChI=1S/C25H16O12/c1-6-3-7-4-8-19(17(29)11(7)24(32)34-6)36-25(23-20(8)35-23)22(31)14-16(28)12-9(26)5-10(33-2)15(27)13(12)18(30)21(14)37-25/h3-5,20,22-23,28-31H,1-2H3", + "name": "Griseorhodin A", + "names": [ + "Griseorhodin A" + ] + }, + { + "compound_id": "C12049", + "inchi": "InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1", + "name": "Neocarzinostatin chromophore", + "names": [ + "Neocarzinostatin chromophore" + ] + }, + { + "compound_id": "C12050", + "inchi": "InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38?,39-,45+,46-,47-,48?,49-,50+,51+,52-,53+,55?,56?,57-,58+,59-,60-,63?,64+,65?,66?,67+,68-,69+,70-/m1/s1", + "name": "Everninomycin", + "names": [ + "Everninomicin", + "Everninomycin" + ] + }, + { + "compound_id": "C12051", + "inchi": "InChI=1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t20-,21+,22+,33+,34-,35-/m0/s1", + "name": "Micrococcin", + "names": [ + "BRN1070340", + "Micrococcin", + "Micrococcin P1" + ] + }, + { + "compound_id": "C12052", + "inchi": "InChI=1S/C49H51N13O8S6/c1-9-25(38(65)50-13-22(7)63)52-39(66)29-16-73-47(57-29)33-19-74-46(59-33)27-12-11-24-37(51-27)28-14-75-48(54-28)34(20(3)4)60-41(68)32-18-76-49(58-32)35(21(5)6)61-40(67)31-17-72-45(56-31)26(10-2)53-43(70)36(23(8)64)62-42(69)30-15-71-44(24)55-30/h9-12,14-23,34-36,63-64H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,68)(H,61,67)(H,62,69)/b25-9-,26-10-/t22-,23+,34-,35+,36-/m0/s1", + "name": "Thiocillin", + "names": [ + "Thiocillin" + ] + }, + { + "compound_id": "C12053", + "inchi": "InChI=1S/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)/b23-5-/t20-,25-,31?,33?,36+/m1/s1", + "name": "Nosiheptide", + "names": [ + "Nosiheptide" + ] + }, + { + "compound_id": "C12054", + "inchi": "InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15-/t26?,30?,31?,32?,33-,34?,35?,39-,45?,47+,48+,49+,51+,52?,53+,71?,72-/m1/s1", + "name": "Thiostrepton", + "names": [ + "Thiostrepton" + ] + }, + { + "compound_id": "C12055", + "inchi": "InChI=1S/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15-/t19?,25-,35+,52-/m1/s1", + "name": "Sulfamycin B", + "names": [ + "Sulfamycin B" + ] + }, + { + "compound_id": "C12056", + "inchi": "InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1", + "name": "Actinonin", + "names": [ + "Actinonin" + ] + }, + { + "compound_id": "C12057", + "inchi": "InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1", + "name": "Cyclothialidine", + "names": [ + "Cyclothialidine" + ] + }, + { + "compound_id": "C12058", + "inchi": "InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1", + "name": "Cerulenin", + "names": [ + "Cerulenin" + ] + }, + { + "compound_id": "C12059", + "inchi": "InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H", + "name": "Triclosan", + "names": [ + "Triclosan" + ] + }, + { + "compound_id": "C12062", + "inchi": "InChI=1S/C25H30N4O2/c1-29(25(31)22(27)16-18-8-3-2-4-9-18)23(12-7-15-26)24(30)28-21-14-13-19-10-5-6-11-20(19)17-21/h2-6,8-11,13-14,17,22-23H,7,12,15-16,26-27H2,1H3,(H,28,30)/t22-,23-/m0/s1", + "name": "Naphthyl dipeptide", + "names": [ + "Naphthyl dipeptide" + ] + }, + { + "compound_id": "C12063", + "inchi": "InChI=1S/C30H46N4O16/c1-11(2)5-4-6-16(38)32-19-23(43)20(40)14(47-29(19)50-28-18(31-12(3)36)22(42)21(41)15(10-35)48-28)9-13(37)26-24(44)25(45)27(49-26)34-8-7-17(39)33-30(34)46/h4,6-8,11,13-15,18-29,35,37,40-45H,5,9-10H2,1-3H3,(H,31,36)(H,32,38)(H,33,39,46)/b6-4+/t13-,14+,15+,18+,19+,20-,21+,22+,23+,24-,25+,26+,27+,28?,29?/m0/s1", + "name": "Tunicamycin", + "names": [ + "Tunicamycin" + ] + }, + { + "compound_id": "C12064", + "inchi": "InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3", + "name": "Resorcinol monoacetate", + "names": [ + "Resorcinol monoacetate" + ] + }, + { + "compound_id": "C12065", + "inchi": "InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1", + "name": "Tiamulin", + "names": [ + "Tiamulin" + ] + }, + { + "compound_id": "C12066", + "inchi": "InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19-,20-,22+,24?,25?,26-,29+,30-,31-/m0/s1", + "name": "Valnemulin", + "names": [ + "Valnemulin" + ] + }, + { + "compound_id": "C12067", + "inchi": "InChI=1S/C8H17NO5/c1-9(2)5-7(12)6(11)4(3-10)14-8(5)13/h4-8,10-13H,3H2,1-2H3/t4-,5-,6-,7-,8?/m1/s1", + "name": "2-Deoxy-2-dimethylamino-alpha-D-Glucose", + "names": [ + "2-Deoxy-2-dimethylamino-alpha-D-Glucose" + ] + }, + { + "compound_id": "C12068", + "inchi": "InChI=1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)", + "name": "GE2270A", + "names": [ + "GE2270A" + ] + }, + { + "compound_id": "C12069", + "inchi": "InChI=1S/C3H4O3/c4-2-1-3(5)6/h1-2,4H,(H,5,6)/b2-1+", + "name": "3-Hydroxypropenoate", + "names": [ + "3-Hydroxypropenoate" + ] + }, + { + "compound_id": "C12070", + "inchi": "InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26-,31-21+/t32?,33?,34-,35+,37?,38?,39?,40?,43?,44-,45-,46+,47+/m0/s1", + "name": "Pulvomycin", + "names": [ + "Pulvomycin" + ] + }, + { + "compound_id": "C12072", + "inchi": "InChI=1S/C20H22N2O2/c1-3-11-9-22-18-8-15-13-5-4-12(24-2)6-17(13)21-20(15)19(22)7-14(11)16(18)10-23/h3-6,10,14,16,18-19,21H,7-9H2,1-2H3/b11-3-/t14?,16-,18-,19-/m0/s1", + "name": "Gardneral", + "names": [ + "Gardneral" + ] + }, + { + "compound_id": "C12073", + "inchi": "InChI=1S/C22H24N2O3/c1-4-12-10-24-17-8-14(12)19-18(24)9-22(21(19)27-11(2)25)15-6-5-13(26-3)7-16(15)23-20(17)22/h4-7,14,17-19,21H,8-10H2,1-3H3/b12-4-/t14?,17-,18-,19-,21+,22+/m0/s1", + "name": "11-Methoxy-vinorine", + "names": [ + "11-Methoxy-vinorine" + ] + }, + { + "compound_id": "C12075", + "inchi": "InChI=1S/C20H24N2O/c1-3-11-10-22-15-8-12(11)17-16(22)9-20(19(17)23)13-6-4-5-7-14(13)21(2)18(15)20/h3-7,12,15-19,23H,8-10H2,1-2H3/b11-3-/t12?,15-,16-,17?,18-,19+,20+/m0/s1", + "name": "Tetraphyllicine", + "names": [ + "NSC72114", + "Tetraphyllicine" + ] + }, + { + "compound_id": "C12076", + "inchi": "InChI=1S/C15H20O7/c1-7-3-8(16)15(20)13(7)4-9(22-10(17)5-13)12(2,19)14(15)6-21-11(14)18/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8-,9?,12+,13-,14+,15-/m1/s1", + "name": "Deoxyanisatin", + "names": [ + "Deoxyanisatin" + ] + }, + { + "compound_id": "C12077", + "inchi": "InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1", + "name": "Palustric acid", + "names": [ + "8,13-Abietadien-18-oic acid", + "NSC 148945", + "Palustric acid" + ] + }, + { + "compound_id": "C12078", + "inchi": "InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1", + "name": "Dehydroabietic acid", + "names": [ + "(-)-Dehydroabietic acid", + "13-Isopropylpodocarpa-8,11,13-trien-15-oic acid", + "Abieta-8,11,13-trien-18-oic acid", + "Dehydroabietate", + "Dehydroabietic acid" + ] + }, + { + "compound_id": "C12079", + "inchi": "InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12+/m1/s1", + "name": "alpha-Arbutin", + "names": [ + "alpha-Arbutin" + ] + }, + { + "compound_id": "C12080", + "inchi": "InChI=1S/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,23-26H,1-3H3", + "name": "Resistomycin", + "names": [ + "Resistomycin" + ] + }, + { + "compound_id": "C12081", + "inchi": "InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36?,37?,39?,40?,41+,43+,44-,45+,46+,47+/m0/s1", + "name": "Soyasaponin II", + "names": [ + "Soyasaponin II" + ] + }, + { + "compound_id": "C12082", + "inchi": "InChI=1S/C18H30O16/c1-3-5(20)7(22)11(26)17(30-3)34-14-8(23)6(21)4(2-19)31-18(14)33-13-10(25)9(24)12(15(27)28)32-16(13)29/h3-14,16-26,29H,2H2,1H3,(H,27,28)/t3-,4+,5-,6-,7+,8-,9-,10-,11+,12-,13?,14?,16+,17?,18?/m0/s1", + "name": "alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranoside", + "names": [ + "alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranoside", + "beta-Fabatriose" + ] + }, + { + "compound_id": "C12083", + "inchi": "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,12-11+,14-13+,16-15-", + "name": "(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid", + "names": [ + "(5Z,7E,9E,14Z,17Z)-Eicosapentaenoate", + "(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid" + ] + }, + { + "compound_id": "C12085", + "inchi": "InChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+", + "name": "Bis-noryangonin", + "names": [ + "Bis-noryangonin" + ] + }, + { + "compound_id": "C12087", + "inchi": "InChI=1S/C15H12O5/c16-11-4-1-10(2-5-11)3-6-12(17)7-14-8-13(18)9-15(19)20-14/h1-6,8-9,16,18H,7H2/b6-3+", + "name": "p-Coumaroyltriacetic acid lactone", + "names": [ + "p-Coumaroyltriacetic acid lactone" + ] + }, + { + "compound_id": "C12088", + "inchi": "InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+", + "name": "4-Hydroxycinnamoylmethane", + "names": [ + "4-(p-Hydroxyphenyl)-3-buten-2-one", + "4-Hydroxycinnamoylmethane", + "p-Hydroxybenzalacetone" + ] + }, + { + "compound_id": "C12089", + "inchi": "InChI=1S/C15H17NO4S/c1-11(17)16-8-9-21-15(20)10-14(19)7-4-12-2-5-13(18)6-3-12/h2-7,18H,8-10H2,1H3,(H,16,17)/b7-4+", + "name": "NAC-Diketide", + "names": [ + "NAC-Diketide" + ] + }, + { + "compound_id": "C12090", + "inchi": "InChI=1S/C14H12O4/c1-9-13(16)8-12(18-14(9)17)7-4-10-2-5-11(15)6-3-10/h2-8,15-16H,1H3/b7-4+", + "name": "Methylstyrylpyron", + "names": [ + "Methylstyrylpyron" + ] + }, + { + "compound_id": "C12091", + "inchi": "InChI=1S/C42H66O18/c1-18-28(45)35(53-4)36(60-38-34(51)32(49)30(47)26(59-38)17-55-37-33(50)31(48)29(46)25(15-43)58-37)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25+,26+,28-,29+,30+,31-,32-,33+,34+,35+,36-,37+,38-,39-,40-,41+,42-/m0/s1", + "name": "Cerberoside", + "names": [ + "Cerberoside" + ] + }, + { + "compound_id": "C12092", + "inchi": "InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/t18-,21-,22-,23?,27-/m1/s1", + "name": "N-Methylanthraniloyl-CoA", + "names": [ + "N-Methylanthraniloyl-CoA" + ] + }, + { + "compound_id": "C12093", + "inchi": "InChI=1S/C14H11NO3/c1-15-10-5-3-2-4-9(10)14(18)13-11(15)6-8(16)7-12(13)17/h2-7,16-17H,1H3", + "name": "1,3-Dihydroxy-N-methylacridone", + "names": [ + "1,3-Dihydroxy-N-methylacridone" + ] + }, + { + "compound_id": "C12095", + "inchi": "InChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1", + "name": "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside", + "names": [ + "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside" + ] + }, + { + "compound_id": "C12096", + "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside", + "names": [ + "Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside", + "Shisonin" + ] + }, + { + "compound_id": "C12098", + "inchi": "InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1", + "name": "Ansatrienin A", + "names": [ + "Ansatrienin A" + ] + }, + { + "compound_id": "C12099", + "inchi": "InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1", + "name": "Asukamycin", + "names": [ + "Asukamycin" + ] + }, + { + "compound_id": "C12100", + "inchi": "InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)", + "name": "omega-Cyclohexylundecanoic acid", + "names": [ + "Cyclohexaneundecanoic acid", + "omega-Cyclohexylundecanoic acid" + ] + }, + { + "compound_id": "C12101", + "inchi": "InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)", + "name": "1-Cyclohexenecarboxylic acid", + "names": [ + "1-Cyclohexene-1-carboxylic acid", + "1-Cyclohexenecarboxylic acid", + "Cyclohex-1-enecarboxylic acid" + ] + }, + { + "compound_id": "C12102", + "inchi": "InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1", + "name": "FK520", + "names": [ + "Ascomycin", + "FK520" + ] + }, + { + "compound_id": "C12103", + "inchi": "InChI=1S/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)", + "name": "omega-Cycloheptylundecanoic acid", + "names": [ + "omega-Cycloheptylundecanoic acid" + ] + }, + { + "compound_id": "C12104", + "inchi": "InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)", + "name": "Cycloheptanecarboxylic acid", + "names": [ + "Cycloheptanecarboxylic acid", + "Cycloheptanoic acid" + ] + }, + { + "compound_id": "C12105", + "inchi": "InChI=1S/C8H4O3S2/c9-4-2-1-3-5(12)7-6(4)8(10)11-13-7/h1-3,9H", + "name": "Thiotropocin", + "names": [ + "Thiotropocin" + ] + }, + { + "compound_id": "C12106", + "inchi": "InChI=1S/C7H14NO9P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,10-11H,1-2,8H2,(H,12,13)(H2,14,15,16)", + "name": "AminoDAHP", + "names": [ + "AminoDAHP" + ] + }, + { + "compound_id": "C12107", + "inchi": "InChI=1S/C7H7NO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,8H2,(H,10,11)", + "name": "AHBA", + "names": [ + "3-Ahba", + "3-Amino-5-hydroxybenzoic acid", + "AHBA" + ] + }, + { + "compound_id": "C12108", + "inchi": "InChI=1S/C7H9NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4,6,10H,1,8H2,(H,11,12)/t4-,6+/m1/s1", + "name": "AminoDHS", + "names": [ + "5-Deoxy-5-amino-3-dehydroshikimic acid", + "AminoDHS" + ] + }, + { + "compound_id": "C12109", + "inchi": "InChI=1S/C7H11NO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,10,13H,1-2,8H2,(H,11,12)/t3-,5+,7-/m1/s1", + "name": "AminoDHQ", + "names": [ + "5-Deoxy-5-amino-3-dehydroquinic acid", + "AminoDHQ" + ] + }, + { + "compound_id": "C12110", + "inchi": "InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)", + "name": "Gabaculine", + "names": [ + "3-Amino-2,3-dihydrobenzoic acid", + "Gabaculine" + ] + }, + { + "compound_id": "C12111", + "inchi": "InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,28-29,34,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/b8-7+,12-9+,15-10+,20-16+,21-17+/t19-,28-,29-,31+/m1/s1", + "name": "Manumycin A", + "names": [ + "Manumycin", + "Manumycin A" + ] + }, + { + "compound_id": "C12112", + "inchi": "InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8?,9?,10-,11-,12+,13+,14-,15+,16+,17-,18-,19?,20?/m1/s1", + "name": "Validamycin A", + "names": [ + "Validacin", + "Validamycin", + "Validamycin A", + "Valimon" + ] + }, + { + "compound_id": "C12113", + "inchi": "InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7-/m0/s1", + "name": "Valiolone", + "names": [ + "Valiolone" + ] + }, + { + "compound_id": "C12114", + "inchi": "InChI=1S/C7H6N2O3/c8-7(11)4-1-2-6(10)5(3-4)9-12/h1-3,10H,(H2,8,11)", + "name": "4-Hydroxy-3-nitrosobenzamide", + "names": [ + "4-Hydroxy-3-nitrosobenzamide" + ] + }, + { + "compound_id": "C12115", + "inchi": "InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)", + "name": "3-Amino-4-hydroxybenzoic acid", + "names": [ + "3,4-AHBA", + "3-Amino-4-hydroxybenzoic acid" + ] + }, + { + "compound_id": "C12116", + "inchi": "InChI=1S/C30H22N4O5/c1-13-15-6-3-10-20-28(15)34(21-11-5-8-17(29(36)37)25(21)32-20)22-12-18(30(38)39)26-27(23(13)22)33-24-16(14(2)35)7-4-9-19(24)31-26/h3-14,32,35H,1-2H3,(H,36,37)(H,38,39)", + "name": "Esmeraldic acid", + "names": [ + "Esmeraldic acid" + ] + }, + { + "compound_id": "C12117", + "inchi": "InChI=1S/C15H12N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-8,18H,1H3,(H,19,20)", + "name": "Saphenic acid", + "names": [ + "Saphenic acid" + ] + }, + { + "compound_id": "C12118", + "inchi": "InChI=1S/C16H14N2O3/c1-9(19)10-5-3-7-12-14(10)17-13-8-4-6-11(15(13)18-12)16(20)21-2/h3-9,19H,1-2H3", + "name": "Saphenic acid methyl ester", + "names": [ + "Saphenic acid methyl ester" + ] + }, + { + "compound_id": "C12119", + "inchi": "InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)", + "name": "Phenazine-1,6-dicarboxylic acid", + "names": [ + "Phenazine-1,6-dicarboxylate", + "Phenazine-1,6-dicarboxylic acid" + ] + }, + { + "compound_id": "C12120", + "inchi": "InChI=1S/C15H10N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-7H,1H3,(H,19,20)", + "name": "6-Acetophenazine-1-carboxylic acid", + "names": [ + "6-Acetophenazine-1-carboxylic acid", + "6-Acetylphenazine-1-carboxylic acid" + ] + }, + { + "compound_id": "C12121", + "inchi": "InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4-6,9-10H,1,8H2,(H,11,12)/t4-,5-,6+/m1/s1", + "name": "5-Deoxy-5-aminoshikimic acid", + "names": [ + "5-Deoxy-5-aminoshikimic acid" + ] + }, + { + "compound_id": "C12122", + "inchi": "InChI=1S/C15H14O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1,3,5-7,14,16-19H,2,4H2", + "name": "Luteoliflavan", + "names": [ + "Luteoliflavan" + ] + }, + { + "compound_id": "C12123", + "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H", + "name": "7,4'-Dihydroxyflavone", + "names": [ + "7,4'-Dihydroxyflavone" + ] + }, + { + "compound_id": "C12124", + "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2/t12?,13-/m0/s1", + "name": "Apiforol", + "names": [ + "Apiforol" + ] + }, + { + "compound_id": "C12125", + "inchi": "InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3", + "name": "Isoformononetin", + "names": [ + "4'-Hydroxy-7-methoxyisoflavone", + "Isoformononetin" + ] + }, + { + "compound_id": "C12126", + "inchi": null, + "name": "Dihydroceramide", + "names": [ + "Dihydroceramide", + "N-Acylsphinganine" + ] + }, + { + "compound_id": "C12127", + "inchi": "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1", + "name": "(+)-Gallocatechin", + "names": [ + "(+)-Gallocatechin", + "Gallocatechol" + ] + }, + { + "compound_id": "C12128", + "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1", + "name": "(-)-Epiafzelechin", + "names": [ + "(-)-Epiafzelechin", + "epi-Afzelechin" + ] + }, + { + "compound_id": "C12129", + "inchi": "InChI=1S/C64H66O41/c65-18-35-42(76)47(81)56(102-39(73)10-4-22-2-7-27(67)31(71)12-22)64(99-35)105-57-48(82)44(78)37(20-94-40(74)17-41(75)103-55(60(91)92)52(86)58(87)88)101-63(57)98-34-16-25-29(69)14-24(95-61-50(84)45(79)43(77)36(100-61)19-93-38(72)9-3-21-1-6-26(66)30(70)11-21)15-32(25)96-53(34)23-5-8-28(68)33(13-23)97-62-51(85)46(80)49(83)54(104-62)59(89)90/h1-16,35-37,42-52,54-57,61-65,76-86H,17-20H2,(H8-,66,67,68,69,70,71,72,73,87,88,89,90,91,92)/p+1/t35-,36-,37-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52?,54+,55?,56-,57?,61-,62-,63-,64?/m1/s1", + "name": "Anemone purple anthocyanin 1", + "names": [ + "Anemone purple anthocyanin 1" + ] + }, + { + "compound_id": "C12130", + "inchi": "InChI=1S/C57H60O34/c58-16-33-40(70)45(75)52(91-57-51(44(74)39(69)34(17-59)87-57)89-37(67)8-4-20-2-6-25(61)28(64)10-20)56(86-33)85-32-15-23-26(62)13-22(82-54-47(77)42(72)41(71)35(88-54)18-81-36(66)7-3-19-1-5-24(60)27(63)9-19)14-30(23)83-49(32)21-11-29(65)38(68)31(12-21)84-55-48(78)43(73)46(76)50(90-55)53(79)80/h1-15,33-35,39-48,50-52,54-59,69-78H,16-18H2,(H7-,60,61,62,63,64,65,66,67,68,79,80)/p+1/t33-,34-,35-,39-,40+,41-,42+,43+,44+,45+,46+,47-,48-,50+,51-,52?,54-,55-,56-,57?/m1/s1", + "name": "Anemone blue anthocyanin 1", + "names": [ + "Anemone blue anthocyanin 1" + ] + }, + { + "compound_id": "C12131", + "inchi": "InChI=1S/C60H62O37/c61-17-34-42(74)47(79)54(95-39(71)8-4-21-2-6-26(63)29(66)10-21)60(92-34)97-55-48(80)44(76)36(19-87-40(72)16-37(68)69)94-59(55)91-33-15-24-27(64)13-23(88-57-50(82)45(77)43(75)35(93-57)18-86-38(70)7-3-20-1-5-25(62)28(65)9-20)14-31(24)89-52(33)22-11-30(67)41(73)32(12-22)90-58-51(83)46(78)49(81)53(96-58)56(84)85/h1-15,34-36,42-51,53-55,57-61,74-83H,16-19H2,(H8-,62,63,64,65,66,67,68,69,70,71,73,84,85)/p+1/t34-,35-,36-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,53+,54-,55?,57-,58-,59-,60?/m1/s1", + "name": "Anemone blue anthocyanin 2", + "names": [ + "Anemone blue anthocyanin 2" + ] + }, + { + "compound_id": "C12132", + "inchi": "InChI=1S/C64H66O42/c65-17-34-42(77)47(82)56(103-38(73)8-4-21-2-6-26(67)29(70)10-21)64(100-34)106-57-48(83)44(79)36(19-95-39(74)16-40(75)104-55(60(92)93)52(87)58(88)89)102-63(57)99-33-15-24-27(68)13-23(96-61-50(85)45(80)43(78)35(101-61)18-94-37(72)7-3-20-1-5-25(66)28(69)9-20)14-31(24)97-53(33)22-11-30(71)41(76)32(12-22)98-62-51(86)46(81)49(84)54(105-62)59(90)91/h1-15,34-36,42-52,54-57,61-65,77-87H,16-19H2,(H9-,66,67,68,69,70,71,72,73,76,88,89,90,91,92,93)/p+1/t34-,35-,36-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52?,54+,55?,56-,57?,61-,62-,63-,64?/m1/s1", + "name": "Anemone blue anthocyanin 3", + "names": [ + "Anemone blue anthocyanin 3" + ] + }, + { + "compound_id": "C12133", + "inchi": "InChI=1S/C58H58O36/c59-17-34-42(72)46(76)52(92-38(68)8-4-21-2-6-26(61)29(64)10-21)58(89-34)94-53-47(77)44(74)36(19-85-39(69)16-40(70)93-51(55(82)83)49(79)54(80)81)91-57(53)88-33-15-24-27(62)13-23(14-32(24)87-50(33)22-11-30(65)41(71)31(66)12-22)86-56-48(78)45(75)43(73)35(90-56)18-84-37(67)7-3-20-1-5-25(60)28(63)9-20/h1-15,34-36,42-49,51-53,56-59,72-79H,16-19H2,(H9-,60,61,62,63,64,65,66,67,68,71,80,81,82,83)/p+1/t34-,35-,36-,42-,43-,44+,45+,46+,47+,48-,49?,51?,52-,53?,56-,57-,58?/m1/s1", + "name": "Anemone blue anthocyanin 4", + "names": [ + "Anemone blue anthocyanin 4" + ] + }, + { + "compound_id": "C12134", + "inchi": "InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H", + "name": "2'-Hydroxygenistein", + "names": [ + "2',4',5,7-Tetrahydroxyisoflavone", + "2'-Hydroxygenistein" + ] + }, + { + "compound_id": "C12135", + "inchi": "InChI=1S/C16H12O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-7,17-19H,1H3", + "name": "2'-Hydroxybiochanin A", + "names": [ + "2'-Hydroxybiochanin A", + "Dehydroferreirin" + ] + }, + { + "compound_id": "C12136", + "inchi": "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1", + "name": "(-)-Epigallocatechin", + "names": [ + "(-)-Epigallocatechin", + "Epigallocatechol" + ] + }, + { + "compound_id": "C12137", + "inchi": "InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1", + "name": "Pelargonidin 3-O-glucoside", + "names": [ + "Pelargonidin 3-O-beta-D-glucoside", + "Pelargonidin 3-O-glucoside", + "Pelargonidin 3-glucoside" + ] + }, + { + "compound_id": "C12138", + "inchi": "InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1", + "name": "Delphinidin 3-O-glucoside", + "names": [ + "Delphinidin 3-O-beta-D-glucoside", + "Delphinidin 3-O-glucoside", + "Delphinidin 3-glucoside", + "Mirtillin" + ] + }, + { + "compound_id": "C12139", + "inchi": "InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1", + "name": "Petunidin 3-O-glucoside", + "names": [ + "Petunidin 3-O-glucoside", + "Petunidin 3-glucoside" + ] + }, + { + "compound_id": "C12140", + "inchi": "InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1", + "name": "Malvidin 3-O-glucoside", + "names": [ + "Enin", + "Malvidin 3-O-glucoside", + "Malvidin-3-glucoside" + ] + }, + { + "compound_id": "C12141", + "inchi": "InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1", + "name": "Peonidin 3-O-glucoside", + "names": [ + "Peonidin 3-O-glucoside", + "Peonidin-3-glucoside" + ] + }, + { + "compound_id": "C12142", + "inchi": "InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1", + "name": "Vetispiradiene", + "names": [ + "(-)-Premnaspirodiene", + "(-)-Vetispiradiene", + "Vetispiradiene" + ] + }, + { + "compound_id": "C12143", + "inchi": "InChI=1S/C13H10N2O/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,14H2,(H,15,16)", + "name": "2-Aminoacridone", + "names": [ + "2-Aminoacridone", + "AMAC" + ] + }, + { + "compound_id": "C12144", + "inchi": "InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1", + "name": "Phytosphingosine", + "names": [ + "4-D-Hydroxysphinganine", + "Phytosphingosine" + ] + }, + { + "compound_id": "C12145", + "inchi": null, + "name": "Phytoceramide", + "names": [ + "Ceramide II", + "N-Acyl-4-hydroxysphinganine", + "Phytoceramide" + ] + }, + { + "compound_id": "C12146", + "inchi": null, + "name": "C26-CoA", + "names": [ + "C26-CoA" + ] + }, + { + "compound_id": "C12147", + "inchi": "InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1", + "name": "L-Threonine O-3-phosphate", + "names": [ + "L-Threonine O-3-phosphate", + "L-Threonine phosphate" + ] + }, + { + "compound_id": "C12148", + "inchi": "InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1", + "name": "Stigmatellin A", + "names": [ + "Stigmatellin", + "Stigmatellin A" + ] + }, + { + "compound_id": "C12149", + "inchi": "InChI=1S/C28H38O6/c1-8-17(2)11-9-10-12-23(32-6)20(5)28(33-7)18(3)13-14-24-19(4)27(31)26-22(30)15-21(29)16-25(26)34-24/h8-12,15-16,18,20,23,28-30H,13-14H2,1-7H3/b11-9+,12-10+,17-8+/t18-,20+,23-,28-/m0/s1", + "name": "Stigmatellin X", + "names": [ + "Stigmatellin X" + ] + }, + { + "compound_id": "C12150", + "inchi": "InChI=1S/C29H40O6/c1-9-18(2)12-10-11-13-23(32-6)21(5)29(34-8)19(3)14-15-24-20(4)28(31)27-25(33-7)16-22(30)17-26(27)35-24/h9-13,16-17,19,21,23,29-30H,14-15H2,1-8H3/b12-10+,13-11+,18-9+/t19-,21+,23-,29-/m0/s1", + "name": "Stigmatellin Y", + "names": [ + "Stigmatellin Y" + ] + }, + { + "compound_id": "C12151", + "inchi": "InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17+,32-23+/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1", + "name": "Mycolactone", + "names": [ + "Mycolactone" + ] + }, + { + "compound_id": "C12152", + "inchi": "InChI=1S/C39H63NO14/c1-21(2)37(46)54-36-25(6)50-30(20-39(36,7)47)52-33-24(5)51-38(32(45)31(33)40(8)9)53-34-26(16-17-41)18-22(3)27(42)15-13-11-12-14-23(4)49-29(44)19-28(43)35(34)48-10/h11-13,15,17,21-26,28,30-36,38,43,45,47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,28-,30?,31-,32-,33-,34?,35+,36+,38?,39-/m1/s1", + "name": "Niddamycin", + "names": [ + "Niddamycin" + ] + }, + { + "compound_id": "C12153", + "inchi": "InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1", + "name": "Epothilone A", + "names": [ + "Epothilone A" + ] + }, + { + "compound_id": "C12154", + "inchi": "InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1", + "name": "Epothilone B", + "names": [ + "Epothilone B", + "Patupilone" + ] + }, + { + "compound_id": "C12155", + "inchi": "InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34?,35+,36+,37-,38-,40+,41-,42+,43+,44-,46?,47+/m0/s1", + "name": "Nystatin A1", + "names": [ + "Nystatin A1" + ] + }, + { + "compound_id": "C12156", + "inchi": "InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37?,38+,39+,40+,41-,42-,44-,45+,46-,47-,48+,49-,50+,52?,53+/m0/s1", + "name": "Nystatin A3", + "names": [ + "Nystatin A3" + ] + }, + { + "compound_id": "C12157", + "inchi": "InChI=1S/C25H41NO4/c1-17(2)14-20(5)24(29)21(6)15-18(3)12-13-23(28)11-9-8-10-19(4)25(30)26-22(7)16-27/h8-10,12-15,17,21-24,27-29H,11,16H2,1-7H3,(H,26,30)/b9-8+,13-12+,18-15+,19-10+,20-14+/t21-,22+,23?,24+/m1/s1", + "name": "Myxalamid S", + "names": [ + "Myxalamid S" + ] + }, + { + "compound_id": "C12158", + "inchi": "InChI=1S/C26H41NO3/c1-8-19(2)16-22(5)25(29)23(6)17-20(3)14-12-10-9-11-13-15-21(4)26(30)27-24(7)18-28/h9-17,19,23-25,28-29H,8,18H2,1-7H3,(H,27,30)/b10-9-,13-11+,14-12+,20-17+,21-15+,22-16+/t19?,23-,24+,25+/m1/s1", + "name": "Myxalamid A", + "names": [ + "Myxalamid A" + ] + }, + { + "compound_id": "C12159", + "inchi": "InChI=1S/C25H39NO3/c1-18(2)15-21(5)24(28)22(6)16-19(3)13-11-9-8-10-12-14-20(4)25(29)26-23(7)17-27/h8-16,18,22-24,27-28H,17H2,1-7H3,(H,26,29)/b9-8-,12-10+,13-11+,19-16+,20-14+,21-15+/t22-,23+,24+/m1/s1", + "name": "Myxalamid B", + "names": [ + "Myxalamid B" + ] + }, + { + "compound_id": "C12160", + "inchi": "InChI=1S/C24H37NO3/c1-7-13-19(3)23(27)21(5)16-18(2)14-11-9-8-10-12-15-20(4)24(28)25-22(6)17-26/h8-16,21-23,26-27H,7,17H2,1-6H3,(H,25,28)/b9-8-,12-10+,14-11+,18-16+,19-13+,20-15+/t21-,22+,23+/m1/s1", + "name": "Myxalamid C", + "names": [ + "Myxalamid C" + ] + }, + { + "compound_id": "C12161", + "inchi": "InChI=1S/C23H35NO3/c1-7-18(3)22(26)20(5)15-17(2)13-11-9-8-10-12-14-19(4)23(27)24-21(6)16-25/h7-15,20-22,25-26H,16H2,1-6H3,(H,24,27)/b9-8-,12-10+,13-11+,17-15+,18-7+,19-14+/t20-,21+,22+/m1/s1", + "name": "Myxalamid D", + "names": [ + "Myxalamid D" + ] + }, + { + "compound_id": "C12162", + "inchi": "InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1", + "name": "Crinine", + "names": [ + "Crinine" + ] + }, + { + "compound_id": "C12163", + "inchi": "InChI=1S/C17H19NO4/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13/h2-3,7,10,14,19H,4-6,8-9H2,1H3/t10-,14+,17+/m0/s1", + "name": "Powelline", + "names": [ + "Powelline" + ] + }, + { + "compound_id": "C12164", + "inchi": "InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14?,15-,16-/m0/s1", + "name": "Hamayne", + "names": [ + "Bulbispermine", + "Hamayne" + ] + }, + { + "compound_id": "C12165", + "inchi": "InChI=1S/C18H19NO5/c1-10(20)24-12-2-3-18-13-6-15-14(22-9-23-15)4-11(13)7-19(8-17(18)21)16(18)5-12/h2-4,6,12,16-17,21H,5,7-9H2,1H3/t12-,16-,17-,18-/m0/s1", + "name": "3-O-Acetylhamayne", + "names": [ + "3-O-Acetylhamayne" + ] + }, + { + "compound_id": "C12166", + "inchi": "InChI=1S/C18H19NO5/c1-9(20)24-18-13(21)4-10-2-3-19-7-11-5-14-15(23-8-22-14)6-12(11)16(18)17(10)19/h4-6,13,16-18,21H,2-3,7-8H2,1H3/t13-,16-,17+,18+/m0/s1", + "name": "1-O-Acetyllycorine", + "names": [ + "1-O-Acetyllycorine" + ] + }, + { + "compound_id": "C12167", + "inchi": "InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1", + "name": "Cherylline", + "names": [ + "Cherylline" + ] + }, + { + "compound_id": "C12168", + "inchi": "InChI=1S/C17H19NO5/c1-20-13-8-6-18-3-2-17(9(8)4-11-15(13)22-7-21-11)12(18)5-10(19)14-16(17)23-14/h4,10,12,14,16,19H,2-3,5-7H2,1H3/t10-,12-,14+,16+,17+/m1/s1", + "name": "Crinamidine", + "names": [ + "Crinamidine" + ] + }, + { + "compound_id": "C12169", + "inchi": "InChI=1/C19H23NO6/c1-10(21)26-13-3-4-15-19(18(13)22)5-6-20(15)8-11-12(19)7-14-17(16(11)23-2)25-9-24-14/h7,13,15,18,22H,3-6,8-9H2,1-2H3/t13-,15+,18-,19-/m0/s1", + "name": "1-Epideacetylbowdensine", + "names": [ + "1-Epideacetylbowdensine" + ] + }, + { + "compound_id": "C12170", + "inchi": "InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8?,11-,14?,15?,16-/m1/s1", + "name": "Zephyranthine", + "names": [ + "Zephyranthine" + ] + }, + { + "compound_id": "C12171", + "inchi": "InChI=1S/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12?,17-,18?,19?,20-/m1/s1", + "name": "1,2-O-Diacetylzephyranthine", + "names": [ + "1,2-O-Diacetylzephyranthine" + ] + }, + { + "compound_id": "C12172", + "inchi": "InChI=1S/C17H21NO4/c1-18-8-10-3-4-12(21-2)16-15(10)17(13(20)9-18)6-5-11(19)7-14(17)22-16/h3-6,11,13-14,19-20H,7-9H2,1-2H3/t11-,13-,14-,17-/m1/s1", + "name": "11alpha-Hydroxygalanthamine", + "names": [ + "11alpha-Hydroxygalanthamine" + ] + }, + { + "compound_id": "C12173", + "inchi": "InChI=1S/C16H19NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,11,13,17-18H,6-9H2,1H3/t11-,13-,16-/m0/s1", + "name": "Norgalanthamine", + "names": [ + "N-Demethylgalanthamine", + "Norgalanthamine" + ] + }, + { + "compound_id": "C12174", + "inchi": "InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14+,15+,16?,17+/m1/s1", + "name": "Haemanthidine", + "names": [ + "Haemanthidine", + "Hemanthidine" + ] + }, + { + "compound_id": "C12176", + "inchi": "InChI=1S/C35H47NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-21,27-28,30-31,33,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,21?,27-,28-,30+,31+,33?/m0/s1", + "name": "Proansamycin X", + "names": [ + "Proansamycin X" + ] + }, + { + "compound_id": "C12177", + "inchi": "InChI=1S/C25H33NO6/c1-15-6-5-7-24(32-4)23(30)13-21(28)16(2)9-17(3)22(29)14-25(31)26-19-10-18(8-15)11-20(27)12-19/h5-7,9-12,16,21-22,24,27-29H,8,13-14H2,1-4H3,(H,26,31)/b7-5+,15-6+,17-9+/t16-,21-,22-,24+/m0/s1", + "name": "Proansamitocin", + "names": [ + "Proansamitocin" + ] + }, + { + "compound_id": "C12178", + "inchi": "InChI=1S/C18H19NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3/t10-,15+,16+,18+/m1/s1", + "name": "3-Epimacronine", + "names": [ + "3-Epimacronine" + ] + }, + { + "compound_id": "C12179", + "inchi": "InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18+/m1/s1", + "name": "Tazettine", + "names": [ + "Tazettine" + ] + }, + { + "compound_id": "C12180", + "inchi": "InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16+/m1/s1", + "name": "(-)-8-Demethylmaritidine", + "names": [ + "(-)-8-Demethylmaritidine" + ] + }, + { + "compound_id": "C12181", + "inchi": "InChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)12-7-15-14(18-9-19-15)6-10(12)8-17/h2-7,16-17H,8-9H2,1H3", + "name": "Ismine", + "names": [ + "Ismine" + ] + }, + { + "compound_id": "C12182", + "inchi": "InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)11-6-14-13(16-8-17-14)5-9(11)7-15-12/h1-7H,8H2", + "name": "Trisphaeridine", + "names": [ + "Trisphaeridine", + "Trispheridine" + ] + }, + { + "compound_id": "C12183", + "inchi": "InChI=1S/C26H28N2O5/c1-27-23-12-19(31-2)7-9-26(23)20-13-22-21(32-15-33-22)11-17(20)14-28(24(26)25(27)30)10-8-16-3-5-18(29)6-4-16/h3-7,9,11,13,19,23-24,29H,8,10,12,14-15H2,1-2H3/t19-,23+,24-,26+/m1/s1", + "name": "Obliquine", + "names": [ + "Obliquine" + ] + }, + { + "compound_id": "C12184", + "inchi": "InChI=1S/C18H23NO5/c1-22-12-6-9-8-19-5-4-10-15(19)14(11(9)7-13(12)23-2)17(21)18(24-3)16(10)20/h4,6-7,14-18,20-21H,5,8H2,1-3H3/t14-,15+,16+,17-,18-/m0/s1", + "name": "Narcissidine", + "names": [ + "Narcissidine" + ] + }, + { + "compound_id": "C12185", + "inchi": "InChI=1S/C16H17NO4/c18-12-2-1-9-11-6-17(15(9)16(12)19)5-8-3-13-14(4-10(8)11)21-7-20-13/h1,3-4,11-12,15-16,18-19H,2,5-7H2/t11-,12+,15-,16-/m1/s1", + "name": "Nangustine", + "names": [ + "Nangustine" + ] + }, + { + "compound_id": "C12186", + "inchi": "InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12-,13-,14-/m0/s1", + "name": "Pancracine", + "names": [ + "Pancracine" + ] + }, + { + "compound_id": "C12187", + "inchi": "InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1", + "name": "Pseudolycorine", + "names": [ + "3,12-Didehydro-9-methoxygalanthan-1alpha,2beta,10-triol", + "Pseudolycorine" + ] + }, + { + "compound_id": "C12188", + "inchi": "InChI=1S/C17H16NO2/c1-19-15-8-12-10-18-7-6-11-4-3-5-13(17(11)18)14(12)9-16(15)20-2/h3-5,8-10H,6-7H2,1-2H3/q+1", + "name": "Vasconine", + "names": [ + "Vasconine" + ] + }, + { + "compound_id": "C12189", + "inchi": "InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1", + "name": "Ungeremine", + "names": [ + "Ungeremine" + ] + }, + { + "compound_id": "C12190", + "inchi": "InChI=1S/C17H19NO4/c1-18-6-5-9-3-4-13-15(16(9)18)10-8-14(21-2)12(19)7-11(10)17(20)22-13/h3,7-8,13,15-16,19H,4-6H2,1-2H3/t13-,15-,16-/m1/s1", + "name": "9-O-Demethylhomolycorine", + "names": [ + "9-O-Demethylhomolycorine" + ] + }, + { + "compound_id": "C12191", + "inchi": "InChI=1S/C17H19NO4/c1-20-10-2-3-17-4-5-18(15(17)6-10)16(19)11-7-13-14(8-12(11)17)22-9-21-13/h2-3,7-8,10,15-16,19H,4-6,9H2,1H3/t10-,15+,16+,17+/m1/s1", + "name": "ent-6beta-Hydroxybuphanisine", + "names": [ + "ent-6beta-Hydroxybuphanisine" + ] + }, + { + "compound_id": "C12192", + "inchi": "InChI=1S/C17H19NO4/c1-20-10-2-3-17-4-5-18(15(17)6-10)16(19)11-7-13-14(8-12(11)17)22-9-21-13/h2-3,7-8,10,15-16,19H,4-6,9H2,1H3/t10-,15+,16-,17+/m1/s1", + "name": "ent-6alpha-Hydroxybuphanisine", + "names": [ + "ent-6alpha-Hydroxybuphanisine" + ] + }, + { + "compound_id": "C12193", + "inchi": "InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m1/s1", + "name": "Vittatine", + "names": [ + "Vittatine" + ] + }, + { + "compound_id": "C12194", + "inchi": "InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14+,15+,16+/m1/s1", + "name": "11-Hydroxyvittatine", + "names": [ + "11-Hydroxyvittatine" + ] + }, + { + "compound_id": "C12195", + "inchi": "InChI=1S/C17H21NO3/c1-19-13-7-10-9-18-6-5-17(11(10)8-14(13)20-2)15(18)4-3-12-16(17)21-12/h7-8,12,15-16H,3-6,9H2,1-2H3/t12-,15?,16-,17-/m0/s1", + "name": "Zephyramine", + "names": [ + "Zephyramine" + ] + }, + { + "compound_id": "C12196", + "inchi": "InChI=1S/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33+/m0/s1", + "name": "(+/-)-Bocconarborine A", + "names": [ + "(+/-)-Bocconarborine A" + ] + }, + { + "compound_id": "C12197", + "inchi": "InChI=1S/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33-/m0/s1", + "name": "(+/-)-Bocconarborine B", + "names": [ + "(+/-)-Bocconarborine B" + ] + }, + { + "compound_id": "C12198", + "inchi": "InChI=1S/C22H19NO5/c1-23-16(6-7-24)20-13(4-5-17-22(20)28-11-25-17)14-3-2-12-8-18-19(27-10-26-18)9-15(12)21(14)23/h2-5,8-9,16,24H,6-7,10-11H2,1H3", + "name": "6-(2-Hydroxyethyl)-5,6-dihydrosanguinarine", + "names": [ + "6-(2-Hydroxyethyl)-5,6-dihydrosanguinarine" + ] + }, + { + "compound_id": "C12199", + "inchi": "InChI=1S/C15H13NO3/c1-17-10-2-3-11-12-6-15-14(18-8-19-15)4-9(12)7-16-13(11)5-10/h2-4,6-7,10H,5,8H2,1H3", + "name": "3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine", + "names": [ + "3-Methoxy-3,4-dihydro-[1,3]-dioxolo-[4,5-j]-phenanthridine", + "3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine" + ] + }, + { + "compound_id": "C12200", + "inchi": "InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3", + "name": "(+/-)-6-Acetonyldihydrochelerythrine", + "names": [ + "(+/-)-6-Acetonyldihydrochelerythrine", + "6-Acetonyl-5,6-dihydrochelerythrine" + ] + }, + { + "compound_id": "C12201", + "inchi": "InChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3", + "name": "(+/-)-6-Acetonyldihydrosanguinarine", + "names": [ + "(+/-)-6-Acetonyldihydrosanguinarine", + "(+/-)-8-Acetonyldihydrosanguinarine", + "6-Acetonyl-5,6-dihydrosanguinarine" + ] + }, + { + "compound_id": "C12202", + "inchi": "InChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+/t13-,14-,15+,17-,19+,20+/m1/s1", + "name": "Platenolide A", + "names": [ + "Platenolide A", + "Platenolide I" + ] + }, + { + "compound_id": "C12203", + "inchi": "InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26?,30-/m1/s1", + "name": "5-Hydroxyferuloyl-CoA", + "names": [ + "5-Hydroxyferuloyl-CoA" + ] + }, + { + "compound_id": "C12204", + "inchi": "InChI=1S/C10H10O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-6,12-13H,1H3/b3-2+", + "name": "5-Hydroxyconiferaldehyde", + "names": [ + "5-Hydroxyconiferaldehyde" + ] + }, + { + "compound_id": "C12205", + "inchi": "InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3/b3-2+", + "name": "5-Hydroxyconiferyl alcohol", + "names": [ + "5-Hydroxyconiferyl alcohol" + ] + }, + { + "compound_id": "C12206", + "inchi": "InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2/b2-1+", + "name": "Caffeyl alcohol", + "names": [ + "Caffeyl alcohol" + ] + }, + { + "compound_id": "C12208", + "inchi": "InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1", + "name": "p-Coumaroyl quinic acid", + "names": [ + "p-Coumaroyl quinic acid", + "trans-5-O-(4-Coumaroyl)-D-quinate" + ] + }, + { + "compound_id": "C12210", + "inchi": "InChI=1S/C15H22N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-9,11-14,18,20-21,23-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,11-,12-,13-,14-/m1/s1", + "name": "UDP-3-ketoglucose", + "names": [ + "UDP-3-keto-D-glucose", + "UDP-3-ketoglucose" + ] + }, + { + "compound_id": "C12211", + "inchi": "InChI=1S/C15H25N3O16P2/c16-8-9(21)5(3-19)32-14(11(8)23)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8+,9-,10-,11-,12-,13-,14-/m1/s1", + "name": "UDP-kanosamine", + "names": [ + "UDP-D-kanosamine", + "UDP-kanosamine" + ] + }, + { + "compound_id": "C12212", + "inchi": "InChI=1S/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6?/m1/s1", + "name": "Kanosamine", + "names": [ + "D-Kanosamine", + "Kanosamine" + ] + }, + { + "compound_id": "C12213", + "inchi": "InChI=1S/C6H14NO8P/c7-3-4(8)2(1-14-16(11,12)13)15-6(10)5(3)9/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5-,6?/m1/s1", + "name": "Kanosamine 6-phosphate", + "names": [ + "D-Kanosamine 6-phosphate", + "Kanosamine 6-phosphate" + ] + }, + { + "compound_id": "C12214", + "inchi": "InChI=1S/C6H14NO8P/c7-5-4(9)3(1-14-16(11,12)13)15-6(5,10)2-8/h3-5,8-10H,1-2,7H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1", + "name": "Aminofructose 6-phosphate", + "names": [ + "Amino-D-fructose 6-phosphate", + "Aminofructose 6-phosphate" + ] + }, + { + "compound_id": "C12215", + "inchi": "InChI=1S/C4H10NO6P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-7H,2H2,(H2,8,9,10)", + "name": "Iminoerythrose 4-phosphate", + "names": [ + "Imino-D-erythrose 4-phosphate", + "Iminoerythrose 4-phosphate" + ] + }, + { + "compound_id": "C12216", + "inchi": "InChI=1S/C44H69N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-40(52)48(56)29-22-21-26-36(46-41(53)37-32-58-42(47-37)34-24-18-19-27-38(34)50)44(55)59-33(2)31-39(51)45-35-25-20-23-30-49(57)43(35)54/h17-19,24,27-28,33,35-37,50,56-57H,3-16,20-23,25-26,29-32H2,1-2H3,(H,45,51)(H,46,53)/b28-17+", + "name": "Mycobactin S", + "names": [ + "Mycobactin S" + ] + }, + { + "compound_id": "C12217", + "inchi": "InChI=1S/3CN.Fe/c3*1-2;", + "name": "Fe(CN)3", + "names": [ + "Fe(CN)3", + "Ferric cyanide", + "Iron cyanide (Fe(CN)3)" + ] + }, + { + "compound_id": "C12218", + "inchi": "InChI=1S/2CN.Fe/c2*1-2;", + "name": "Fe(CN)2", + "names": [ + "Fe(CN)2", + "Iron cyanide (Fe(CN)2)" + ] + }, + { + "compound_id": "C12219", + "inchi": "InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1", + "name": "Corynebactin", + "names": [ + "Bacillibactin", + "Corynebactin" + ] + }, + { + "compound_id": "C12220", + "inchi": "InChI=1S/C20H24N2O7/c23-11-12(22-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-21-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,23-27H,1-2,5,10-11H2,(H,21,28)(H,22,29)/t12-/m0/s1", + "name": "Myxochelin A", + "names": [ + "Myxochelin A" + ] + }, + { + "compound_id": "C12221", + "inchi": "InChI=1S/C20H25N3O6/c21-11-12(23-20(29)14-7-4-9-16(25)18(14)27)5-1-2-10-22-19(28)13-6-3-8-15(24)17(13)26/h3-4,6-9,12,24-27H,1-2,5,10-11,21H2,(H,22,28)(H,23,29)/t12-/m0/s1", + "name": "Myxochelin B", + "names": [ + "Myxochelin B" + ] + }, + { + "compound_id": "C12222", + "inchi": "InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3", + "name": "Hydroxysanguinarine", + "names": [ + "Hydroxysanguinarine" + ] + }, + { + "compound_id": "C12223", + "inchi": "InChI=1S/C24H25NO6/c1-25-17(12-21(26)27)22-14(8-9-18(28-2)24(22)31-5)15-7-6-13-10-19(29-3)20(30-4)11-16(13)23(15)25/h6-11,17H,12H2,1-5H3,(H,26,27)/t17-/m0/s1", + "name": "N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid", + "names": [ + "N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid" + ] + }, + { + "compound_id": "C12224", + "inchi": "InChI=1S/C22H21NO5/c1-23-20-14(7-6-12-10-17(26-3)18(27-4)11-15(12)20)13-8-9-16(25-2)21(28-5)19(13)22(23)24/h6-11H,1-5H3", + "name": "N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one", + "names": [ + "N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one" + ] + }, + { + "compound_id": "C12225", + "inchi": "InChI=1S/C21H17NO5/c1-22-19-13(5-4-11-8-16-17(9-14(11)19)27-10-26-16)12-6-7-15(24-2)20(25-3)18(12)21(22)23/h4-9H,10H2,1-3H3", + "name": "6-Oxochelerythrine", + "names": [ + "6-Oxochelerythrine", + "Oxychelerythrine" + ] + }, + { + "compound_id": "C12226", + "inchi": "InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3", + "name": "Norchelerythrine", + "names": [ + "Norchelerythrine" + ] + }, + { + "compound_id": "C12227", + "inchi": "InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1", + "name": "Chelerythrine", + "names": [ + "Chelerythrine" + ] + }, + { + "compound_id": "C12228", + "inchi": "InChI=1S/C23H24NO5/c1-24-12-16-21(19(27-4)11-20(28-5)23(16)29-6)14-8-7-13-9-17(25-2)18(26-3)10-15(13)22(14)24/h7-12H,1-6H3/q+1", + "name": "Sanguilutine", + "names": [ + "Sanguilutine" + ] + }, + { + "compound_id": "C12229", + "inchi": "InChI=1S/C22H20NO5/c1-23-10-15-20(18(24-2)9-19(25-3)22(15)26-4)13-6-5-12-7-16-17(28-11-27-16)8-14(12)21(13)23/h5-10H,11H2,1-4H3/q+1", + "name": "Chelilutine", + "names": [ + "Chelilutine" + ] + }, + { + "compound_id": "C12230", + "inchi": "InChI=1S/C22H20NO5/c1-23-10-15-20(18(26-4)9-19-22(15)28-11-27-19)13-6-5-12-7-16(24-2)17(25-3)8-14(12)21(13)23/h5-10H,11H2,1-4H3/q+1", + "name": "Sanguirubine", + "names": [ + "Sanguirubine" + ] + }, + { + "compound_id": "C12231", + "inchi": "InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3", + "name": "Anhalamine", + "names": [ + "Anhalamine", + "N-Demethylanhalidine" + ] + }, + { + "compound_id": "C12232", + "inchi": "InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1", + "name": "Sanguinine", + "names": [ + "Sanguinine" + ] + }, + { + "compound_id": "C12233", + "inchi": "InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1", + "name": "Lycoramine", + "names": [ + "1,2-Dihydrogalanthamine", + "Lycoramine" + ] + }, + { + "compound_id": "C12234", + "inchi": "InChI=1S/C16H21NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-3,11,13,17-18H,4-9H2,1H3/t11-,13+,16+/m1/s1", + "name": "Epinorlycoramine", + "names": [ + "Epinorlycoramine" + ] + }, + { + "compound_id": "C12235", + "inchi": "InChI=1S/C17H17NO2/c1-19-15-8-12-10-18-7-6-11-4-3-5-13(17(11)18)14(12)9-16(15)20-2/h3-5,8-9H,6-7,10H2,1-2H3", + "name": "Assoanine", + "names": [ + "Assoanine" + ] + }, + { + "compound_id": "C12236", + "inchi": "InChI=1S/C17H15NO3/c1-20-14-8-12-11-5-3-4-10-6-7-18(16(10)11)17(19)13(12)9-15(14)21-2/h3-5,8-9H,6-7H2,1-2H3", + "name": "Oxoassoanine", + "names": [ + "Dihydropratosine", + "Oxoassoanine" + ] + }, + { + "compound_id": "C12237", + "inchi": "InChI=1S/C18H21NO5/c1-9(20)24-15-5-10-3-4-19-8-11-6-14(23-2)13(21)7-12(11)16(17(10)19)18(15)22/h5-7,15-18,21-22H,3-4,8H2,1-2H3/t15-,16-,17+,18+/m0/s1", + "name": "2-O-Acetylpseudolycorine", + "names": [ + "2-O-Acetylpseudolycorine" + ] + }, + { + "compound_id": "C12238", + "inchi": "InChI=1S/C18H23NO4/c1-21-11-4-5-18-6-7-19(16(18)8-11)17(20)12-9-14(22-2)15(23-3)10-13(12)18/h4-5,9-11,16-17,20H,6-8H2,1-3H3/t11-,16?,17?,18+/m1/s1", + "name": "Papyramine", + "names": [ + "Papyramine" + ] + }, + { + "compound_id": "C12239", + "inchi": "InChI=1S/C17H19NO5/c1-18-4-3-8-5-12(20)16-14(15(8)18)9-6-11(19)13(22-2)7-10(9)17(21)23-16/h5-7,12,14-16,19-20H,3-4H2,1-2H3/t12-,14-,15+,16+/m0/s1", + "name": "9-O-Demethyl-2alpha-hydroxyhomolycorine", + "names": [ + "9-O-Demethyl-2alpha-hydroxyhomolycorine" + ] + }, + { + "compound_id": "C12240", + "inchi": "InChI=1S/C23H27NO8/c1-11(25)7-19(27)31-17-9-14-15(10-16(17)29-4)23(28)32-22-18(30-12(2)26)8-13-5-6-24(3)21(13)20(14)22/h8-11,18,20-22,25H,5-7H2,1-4H3/t11?,18-,20-,21+,22+/m0/s1", + "name": "Dubiusine", + "names": [ + "Dubiusine" + ] + }, + { + "compound_id": "C12241", + "inchi": "InChI=1/C19H25NO4/c1-20-8-7-11-5-6-14-17(18(11)20)12-9-15(21-2)16(22-3)10-13(12)19(23-4)24-14/h5,9-10,14,17-19H,6-8H2,1-4H3/t14-,17-,18-,19+/m1/s1", + "name": "O-Methyllycorenine", + "names": [ + "O-Methyllycorenine" + ] + }, + { + "compound_id": "C12242", + "inchi": "InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1", + "name": "Chelidonine", + "names": [ + "Chelidonine" + ] + }, + { + "compound_id": "C12243", + "inchi": "InChI=1S/C16H19NO2/c1-2-10-4-5-17-8-11-6-14-15(19-9-18-14)7-13(11)12(3-1)16(10)17/h6-7,10,12,16H,1-5,8-9H2/t10-,12?,16+/m1/s1", + "name": "(+/-)-gamma-Lycorane", + "names": [ + "(+/-)-gamma-Lycorane" + ] + }, + { + "compound_id": "C12244", + "inchi": "InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2", + "name": "3-Buten-1-amine", + "names": [ + "3-Buten-1-amine" + ] + }, + { + "compound_id": "C12245", + "inchi": "InChI=1S/C8H11N3O3/c1-3-4-5-9-8-11-10-6(14-8)7(12)13-2/h3H,1,4-5H2,2H3,(H,9,11)", + "name": "Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate", + "names": [ + "Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate" + ] + }, + { + "compound_id": "C12246", + "inchi": "InChI=1S/C35H45NO10/c1-15-9-8-10-16(2)35(46)36-24-13-25(38)26-23(34(24)45)12-18(4)30(41)27(26)29(40)17(3)11-22(14-37)33(44)21(7)32(43)20(6)31(42)19(5)28(15)39/h8-13,15,19-22,28,31-33,37,39,41-44H,14H2,1-7H3,(H,36,46)/b9-8+,16-10-,17-11+/t15-,19+,20+,21-,22+,28-,31+,32-,33+/m0/s1", + "name": "Protorifamycin I", + "names": [ + "Protorifamycin I" + ] + }, + { + "compound_id": "C12247", + "inchi": "InChI=1S/C35H45NO11/c1-14-9-8-10-15(2)35(47)36-22-12-23(38)24-25(32(44)20(7)33(45)26(24)34(22)46)28(40)16(3)11-21(13-37)31(43)19(6)30(42)18(5)29(41)17(4)27(14)39/h8-12,14,17-19,21,27,29-31,37,39,41-45H,13H2,1-7H3,(H,36,47)/b9-8+,15-10-,16-11+/t14-,17+,18+,19-,21+,27-,29+,30-,31+/m0/s1", + "name": "Rifamycin W", + "names": [ + "Rifamycin W" + ] + }, + { + "compound_id": "C12248", + "inchi": "InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)", + "name": "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate", + "names": [ + "5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate" + ] + }, + { + "compound_id": "C12249", + "inchi": "InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1", + "name": "Kaempferol 3-O-glucoside", + "names": [ + "Astragalin", + "Kaempferol 3-O-beta-D-glucoside", + "Kaempferol 3-O-glucoside" + ] + }, + { + "compound_id": "C12250", + "inchi": "InChI=1S/C16H11NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h1-3,6-7H,4-5,8H2", + "name": "Anhydrolycorinone", + "names": [ + "Anhydrolycorinone" + ] + }, + { + "compound_id": "C12251", + "inchi": "InChI=1S/C7H7IO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3", + "name": "2-Iodo-6-methoxyphenol", + "names": [ + "2-Iodo-6-methoxyphenol" + ] + }, + { + "compound_id": "C12252", + "inchi": "InChI=1S/C17H18BrNO4/c1-19(8-7-11-3-5-12(20)6-4-11)17(22)13-9-15(21)16(23-2)10-14(13)18/h3-6,9-10,20-21H,7-8H2,1-2H3", + "name": "2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide", + "names": [ + "2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-methylbenzamide" + ] + }, + { + "compound_id": "C12253", + "inchi": "InChI=1S/C15H17NO3/c17-10-3-4-15-5-6-16-8-9-1-2-11(18)14(13(9)15)19-12(15)7-10/h1-4,10,12,16-18H,5-8H2/t10-,12-,15-/m0/s1", + "name": "Norsanguinine", + "names": [ + "Norsanguinine" + ] + }, + { + "compound_id": "C12254", + "inchi": "InChI=1S/C26H26N2O6/c1-27-22-11-17(32-2)7-9-26(22)19-13-21-20(33-14-34-21)12-18(19)24(30)28(23(26)25(27)31)10-8-15-3-5-16(29)6-4-15/h3-7,9,12-13,17,22-23,29H,8,10-11,14H2,1-2H3/t17-,22-,23+,26-/m0/s1", + "name": "(+)-Plicamine", + "names": [ + "(+)-Plicamine" + ] + }, + { + "compound_id": "C12255", + "inchi": "InChI=1S/C14H15NO7/c16-10-8-4-1-6-7(22-3-21-6)2-5(4)14(20)15-9(8)11(17)13(19)12(10)18/h1-2,8-13,16-19H,3H2,(H,15,20)/t8-,9-,10-,11+,12+,13+/m1/s1", + "name": "7-Deoxypancratistatin", + "names": [ + "7-Deoxypancratistatin" + ] + }, + { + "compound_id": "C12256", + "inchi": "InChI=1S/C14H15NO6/c16-7-3-8(17)13(18)12-11(7)5-1-9-10(21-4-20-9)2-6(5)14(19)15-12/h1-2,7-8,11-13,16-18H,3-4H2,(H,15,19)/t7-,8+,11-,12+,13+/m0/s1", + "name": "(+)-2,7-Dideoxypancratistatin", + "names": [ + "(+)-2,7-Dideoxypancratistatin" + ] + }, + { + "compound_id": "C12257", + "inchi": "InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1", + "name": "Homochelidonine", + "names": [ + "(+/-)-Homochelidonine", + "Homochelidonine" + ] + }, + { + "compound_id": "C12258", + "inchi": "InChI=1S/C20H14O7/c1-23-13-4-3-12-16(17(13)24-2)19(22)27-20(12)6-5-10-7-14-15(26-9-25-14)8-11(10)18(20)21/h3-8H,9H2,1-2H3/t20-/m1/s1", + "name": "Arnottin II", + "names": [ + "Arnottin II" + ] + }, + { + "compound_id": "C12259", + "inchi": "InChI=1S/C20H24N2O2/c1-22-12-10-20(14-6-7-17(23-2)18(13-14)24-3)9-8-16-15(19(20)22)5-4-11-21-16/h4-7,11,13,19H,8-10,12H2,1-3H3/t19-,20-/m0/s1", + "name": "(+)-Sceletium A4", + "names": [ + "(+)-Sceletium A4" + ] + }, + { + "compound_id": "C12260", + "inchi": "InChI=1S/C20H26N2O2/c1-21-12-10-20(9-8-17-15(14-20)5-4-11-22-17)16-6-7-18(23-2)19(13-16)24-3/h4-7,11,13,21H,8-10,12,14H2,1-3H3/t20-/m1/s1", + "name": "(-)-Tortuosamine", + "names": [ + "(-)-Tortuosamine", + "Tortuosamine" + ] + }, + { + "compound_id": "C12261", + "inchi": "InChI=1S/C14H26O4Si/c1-13(2,3)19(6,7)18-10-8-9(15)11-12(10)17-14(4,5)16-11/h10-12H,8H2,1-7H3/t10-,11-,12+/m1/s1", + "name": "2,3,4-Trioxycyclopentanone", + "names": [ + "2,3,4-Trioxycyclopentanone" + ] + }, + { + "compound_id": "C12262", + "inchi": "InChI=1S/C19H25NO5/c1-20(18(22)25-4)12-11-19(9-7-15(21)8-10-19)14-5-6-16(23-2)17(13-14)24-3/h5-7,9,13H,8,10-12H2,1-4H3/t19-/m1/s1", + "name": "4,4-Disubstituted cyclohexenone", + "names": [ + "4,4-Disubstituted cyclohexenone" + ] + }, + { + "compound_id": "C12263", + "inchi": "InChI=1S/C13H16O3/c1-4-8-16-9-7-11-5-6-12(14-2)13(10-11)15-3/h4-7,9-10H,1,8H2,2-3H3/b9-7+", + "name": "1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene", + "names": [ + "1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene" + ] + }, + { + "compound_id": "C12264", + "inchi": "InChI=1S/C11H10O5/c1-14-3-2-7-4-9-10(16-6-15-9)5-8(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)/b3-2+", + "name": "6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid", + "names": [ + "6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid" + ] + }, + { + "compound_id": "C12265", + "inchi": null, + "name": "Lichenysin D", + "names": [ + "Lichenysin D" + ] + }, + { + "compound_id": "C12266", + "inchi": null, + "name": "Iturin A", + "names": [ + "Iturin A" + ] + }, + { + "compound_id": "C12267", + "inchi": null, + "name": "Bacillomycin D", + "names": [ + "Bacillomycin D" + ] + }, + { + "compound_id": "C12268", + "inchi": null, + "name": "Syringomycin", + "names": [ + "Syringomycin" + ] + }, + { + "compound_id": "C12269", + "inchi": "InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1", + "name": "N-Methyl-D-aspartic acid", + "names": [ + "N-Methyl-D-aspartate", + "N-Methyl-D-aspartic acid", + "NMDA" + ] + }, + { + "compound_id": "C12270", + "inchi": "InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)", + "name": "N-Acetyl-aspartyl-glutamate", + "names": [ + "N-Acetyl-aspartyl-glutamate", + "NAAG" + ] + }, + { + "compound_id": "C12271", + "inchi": "InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-", + "name": "Arachidonoyl dopamine", + "names": [ + "Arachidonoyl dopamine" + ] + }, + { + "compound_id": "C12272", + "inchi": "InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-", + "name": "N-Oleoyl dopamine", + "names": [ + "N-Oleoyl dopamine" + ] + }, + { + "compound_id": "C12276", + "inchi": "InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1", + "name": "Calcium pantothenate", + "names": [ + "Calcium pantothenate" + ] + }, + { + "compound_id": "C12277", + "inchi": "InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2", + "name": "Calcium hydroxide", + "names": [ + "Calcium hydroxide" + ] + }, + { + "compound_id": "C12278", + "inchi": "InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1", + "name": "Copper gluconate", + "names": [ + "Copper gluconate" + ] + }, + { + "compound_id": "C12280", + "inchi": "InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-", + "name": "Methyl acetyl ricinoleate", + "names": [ + "Methyl acetyl ricinoleate" + ] + }, + { + "compound_id": "C12282", + "inchi": null, + "name": "Polyvinyl acetate", + "names": [ + "Polyvinyl acetate" + ] + }, + { + "compound_id": "C12283", + "inchi": "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)", + "name": "Saccharin", + "names": [ + "Saccharin" + ] + }, + { + "compound_id": "C12284", + "inchi": "InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1", + "name": "Saccharin sodium anhydrous", + "names": [ + "Saccharin sodium anhydrous" + ] + }, + { + "compound_id": "C12285", + "inchi": "InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1", + "name": "Sucralose", + "names": [ + "Sucralose" + ] + }, + { + "compound_id": "C12286", + "inchi": "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+", + "name": "alpha-Ionone", + "names": [ + "alpha-Ionone" + ] + }, + { + "compound_id": "C12287", + "inchi": "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+", + "name": "beta-Ionone", + "names": [ + "beta-Ionone" + ] + }, + { + "compound_id": "C12288", + "inchi": "InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-", + "name": "alpha-Amylcinnamaldehyde", + "names": [ + "alpha-Amylcinnamaldehyde", + "alpha-Pentylcinnamaldehyde" + ] + }, + { + "compound_id": "C12289", + "inchi": "InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3", + "name": "Isoamyl isovalerate", + "names": [ + "Isoamyl isovalerate" + ] + }, + { + "compound_id": "C12290", + "inchi": "InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3", + "name": "Ethyl isovalerate", + "names": [ + "Ethyl isovalerate" + ] + }, + { + "compound_id": "C12292", + "inchi": "InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3", + "name": "Ethyl octanoate", + "names": [ + "Ethyl caprylate", + "Ethyl octanoate" + ] + }, + { + "compound_id": "C12293", + "inchi": "InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3", + "name": "Isoamyl formate", + "names": [ + "Isoamyl formate" + ] + }, + { + "compound_id": "C12294", + "inchi": "InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+", + "name": "Geranyl formate", + "names": [ + "Geranyl formate" + ] + }, + { + "compound_id": "C12295", + "inchi": "InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3", + "name": "Citronellyl formate", + "names": [ + "Citronellyl formate" + ] + }, + { + "compound_id": "C12296", + "inchi": "InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3", + "name": "Isoamyl acetate", + "names": [ + "Isoamyl acetate" + ] + }, + { + "compound_id": "C12297", + "inchi": "InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3", + "name": "Cyclohexyl acetate", + "names": [ + "Cyclohexyl acetate" + ] + }, + { + "compound_id": "C12298", + "inchi": "InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3", + "name": "Citronellyl acetate", + "names": [ + "3,7-Dimethyl-6-octen-1-yl acetate", + "Citronellyl acetate" + ] + }, + { + "compound_id": "C12299", + "inchi": "InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+", + "name": "Cinnamyl acetate", + "names": [ + "3-Phenyl-2-propenyl acetate", + "Cinnamyl acetate" + ] + }, + { + "compound_id": "C12300", + "inchi": "InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3", + "name": "alpha-Terpinyl acetate", + "names": [ + "alpha-Terpinyl acetate", + "p-Menth-1-en-8-yl acetate" + ] + }, + { + "compound_id": "C12301", + "inchi": "InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3", + "name": "beta-Terpinyl acetate", + "names": [ + "Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, 1-acetate", + "beta-Terpinyl acetate" + ] + }, + { + "compound_id": "C12302", + "inchi": "InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3", + "name": "gamma-Terpinyl acetate", + "names": [ + "Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate", + "gamma-Terpinyl acetate", + "p-Menth-4-en-1-yl acetate" + ] + }, + { + "compound_id": "C12303", + "inchi": "InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3", + "name": "Phenethyl acetate", + "names": [ + "2-Phenylethyl acetate", + "Phenethyl acetate" + ] + }, + { + "compound_id": "C12304", + "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", + "name": "Butyl acetate", + "names": [ + "Butyl acetate" + ] + }, + { + "compound_id": "C12305", + "inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3", + "name": "Methyl salicylate", + "names": [ + "Methyl 2-hydroxybenzoate", + "Methyl salicylate" + ] + }, + { + "compound_id": "C12306", + "inchi": "InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2", + "name": "Allyl cyclohexylpropionate", + "names": [ + "2-Propenyl 3-cyclohexylpropanoate", + "Allyl cyclohexylpropionate" + ] + }, + { + "compound_id": "C12307", + "inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3", + "name": "Decanal", + "names": [ + "1-Decanal", + "Decanal" + ] + }, + { + "compound_id": "C12308", + "inchi": "InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1", + "name": "Gibberellin A44", + "names": [ + "Gibberellin 44", + "Gibberellin A44" + ] + }, + { + "compound_id": "C12309", + "inchi": null, + "name": "Esmeraldin A", + "names": [ + "Esmeraldin A" + ] + }, + { + "compound_id": "C12310", + "inchi": "InChI=1S/C38H28N4O7/c1-17-8-4-15-28(43)29(17)38(48)49-19(3)21-10-6-12-24-31(21)41-34-30-18(2)20-9-5-13-25-35(20)42(27(30)16-23(37(46)47)33(34)39-24)26-14-7-11-22(36(44)45)32(26)40-25/h4-16,18-19,40,43H,1-3H3,(H,44,45)(H,46,47)", + "name": "Esmeraldin B", + "names": [ + "Esmeraldin B" + ] + }, + { + "compound_id": "C12311", + "inchi": "InChI=1S/C23H18N2O5/c1-12-6-3-11-18(26)19(12)23(29)30-13(2)14-7-4-9-16-20(14)24-17-10-5-8-15(22(27)28)21(17)25-16/h3-11,13,26H,1-2H3,(H,27,28)", + "name": "Saphenamycin", + "names": [ + "Saphenamycin" + ] + }, + { + "compound_id": "C12312", + "inchi": "InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)", + "name": "Indolin-2-one", + "names": [ + "Indolin-2-one" + ] + }, + { + "compound_id": "C12313", + "inchi": "InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+", + "name": "cis-1,2-Cyclohexanediol", + "names": [ + "cis-1,2-Cyclohexanediol", + "cis-Cyclohexane-1,2-diol" + ] + }, + { + "compound_id": "C12314", + "inchi": "InChI=1S/C6H10O3/c7-5-3-1-2-4-9-6(5)8/h5,7H,1-4H2", + "name": "1-Oxa-2-oxo-3-hydroxycycloheptane", + "names": [ + "1-Oxa-2-oxo-3-hydroxycycloheptane" + ] + }, + { + "compound_id": "C12316", + "inchi": "InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15-/m0/s1", + "name": "cis-Dihydroquercetin", + "names": [ + "cis-Dihydroquercetin" + ] + }, + { + "compound_id": "C12317", + "inchi": "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1", + "name": "D-Allothreonine", + "names": [ + "D-Allothreonine", + "D-allo-Threonine" + ] + }, + { + "compound_id": "C12318", + "inchi": "InChI=1S/C16H25N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-13,20H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9-,10+,11-,12-,13-/m1/s1", + "name": "dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose", + "names": [ + "dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose" + ] + }, + { + "compound_id": "C12319", + "inchi": "InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10+,11-,12-,13-,17+/m1/s1", + "name": "dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose", + "names": [ + "dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose" + ] + }, + { + "compound_id": "C12320", + "inchi": "InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,17-/m0/s1", + "name": "dTDP-L-4-oxovancosamine", + "names": [ + "dTDP-L-4-oxovancosamine" + ] + }, + { + "compound_id": "C12321", + "inchi": "InChI=1S/C17H29N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-14,21-22H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,14-,17-/m0/s1", + "name": "dTDP-L-epivancosamine", + "names": [ + "dTDP-L-epivancosamine" + ] + }, + { + "compound_id": "C12322", + "inchi": "InChI=1S/C17H29N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-14,21-22H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10-,11+,12+,13+,14+,17-/m0/s1", + "name": "dTDP-L-vancosamine", + "names": [ + "dTDP-L-vancosamine" + ] + }, + { + "compound_id": "C12323", + "inchi": "InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1", + "name": "L-4-Hydroxyphenylglycine", + "names": [ + "L-4-Hydroxyphenylglycine" + ] + }, + { + "compound_id": "C12324", + "inchi": "InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-8,10,13-14,18,22-24,28,37-38,41-42H,3-6,9,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/t18-,22-,23-,24?,28-/m1/s1", + "name": "3,5-Dihydroxyphenylacetyl-CoA", + "names": [ + "3,5-Dihydroxyphenylacetyl-CoA" + ] + }, + { + "compound_id": "C12325", + "inchi": "InChI=1S/C8H6O5/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,9-10H,(H,12,13)", + "name": "3,5-Dihydroxyphenylglyoxylate", + "names": [ + "3,5-Dihydroxyphenylglyoxylate" + ] + }, + { + "compound_id": "C12326", + "inchi": "InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3", + "name": "(R,S)-Scoulerine", + "names": [ + "(R,S)-Scoulerine", + "Scoulerine" + ] + }, + { + "compound_id": "C12327", + "inchi": "InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3", + "name": "Laudanosoline", + "names": [ + "(R,S)-Laudanosoline", + "Laudanosoline" + ] + }, + { + "compound_id": "C12328", + "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3", + "name": "Reticuline", + "names": [ + "(R,S)-Reticuline", + "Reticuline" + ] + }, + { + "compound_id": "C12329", + "inchi": "InChI=1S/C18H21NO4/c1-22-17-4-3-11(8-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3", + "name": "(R,S)-Norreticuline", + "names": [ + "(R,S)-Norreticuline", + "Norreticuline" + ] + }, + { + "compound_id": "C12330", + "inchi": "InChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2", + "name": "2,3,9,10-Tetrahydroxyberbine", + "names": [ + "2,3,9,10-Tetrahydroxyberbine" + ] + }, + { + "compound_id": "C12331", + "inchi": "InChI=1S/C17H13NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,5-8H,3-4H2,(H3,19,20,21,22)/p+1", + "name": "2,3,9,10-Tetrahydroxyberberine", + "names": [ + "2,3,9,10-Tetrahydroxyberberine" + ] + }, + { + "compound_id": "C12332", + "inchi": "InChI=1S/C26H31NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(16-27-26(24)31)20-10-12-21(28)13-11-20/h6-13,15-17,19,28H,5,14H2,1-4H3,(H2,27,30,31)/b8-6+,9-7+,18-15+/t17-,19-/m1/s1", + "name": "Militarinone D", + "names": [ + "Militarinone D" + ] + }, + { + "compound_id": "C12333", + "inchi": "InChI=1S/C26H37NO6/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-22(29)23-24(30)21(16-27(33)25(23)31)26(32)12-10-20(28)11-13-26/h6-9,15-17,19-20,28,30,32-33H,5,10-14H2,1-4H3/b8-6+,9-7+,18-15+/t17-,19-,20-,26+/m1/s1", + "name": "Militarinone A", + "names": [ + "Militarinone A" + ] + }, + { + "compound_id": "C12334", + "inchi": "InChI=1S/C26H33NO5/c1-5-16(2)14-18(4)15-17(3)8-6-7-9-21(29)22-25(31)23(27-26(22)32)24(30)19-10-12-20(28)13-11-19/h6-13,15-16,18,23-24,28-30H,5,14H2,1-4H3,(H,27,32)/b8-6+,9-7+,17-15+,22-21+/t16-,18-,23?,24?/m1/s1", + "name": "Militarinone B", + "names": [ + "Militarinone B" + ] + }, + { + "compound_id": "C12335", + "inchi": "InChI=1S/C26H33NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(27-26(24)31)16-20-10-12-21(28)13-11-20/h6-13,15,17,19,22,28-29H,5,14,16H2,1-4H3,(H,27,31)/b8-6+,9-7+,18-15+,24-23+/t17-,19-,22?/m1/s1", + "name": "Militarinone C", + "names": [ + "Militarinone C" + ] + }, + { + "compound_id": "C12336", + "inchi": "InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3/t14-,15-/m1/s1", + "name": "Dioncophylline A", + "names": [ + "Dioncophylline A" + ] + }, + { + "compound_id": "C12337", + "inchi": "InChI=1S/C23H25NO3/c1-12-10-20(27-4)23-16(6-5-7-18(23)25)21(12)15-8-9-19(26)22-14(3)24-13(2)11-17(15)22/h5-10,13-14,24-26H,11H2,1-4H3/t13-,14-/m1/s1", + "name": "Dioncophylline C", + "names": [ + "Dioncophylline C" + ] + }, + { + "compound_id": "C12338", + "inchi": "InChI=1S/C23H25NO4/c1-11-7-15-14(5-6-17(25)23(15)20(8-11)28-4)22-16-9-12(2)24-13(3)21(16)18(26)10-19(22)27/h5-8,10,12-13,24-27H,9H2,1-4H3/t12-,13-/m1/s1", + "name": "Korupensamine A", + "names": [ + "Korupensamine A" + ] + }, + { + "compound_id": "C12339", + "inchi": "InChI=1S/C23H25NO4/c1-12-9-14-7-8-17(23(27)20(14)13(2)24-12)21-15(11-25)10-19(28-3)22-16(21)5-4-6-18(22)26/h4-8,10,12-13,24-27H,9,11H2,1-3H3/t12-,13-/m1/s1", + "name": "Dioncopeltine A", + "names": [ + "Dioncopeltine A", + "Triphyopeltine" + ] + }, + { + "compound_id": "C12340", + "inchi": "InChI=1S/C26H31NO4/c1-14-11-17-9-8-10-19(29-5)23(17)25(28)21(14)24-20(30-6)13-18-12-15(2)27(4)16(3)22(18)26(24)31-7/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16+/m0/s1", + "name": "Ancistrotectorine", + "names": [ + "Ancistrotectorine" + ] + }, + { + "compound_id": "C12341", + "inchi": "InChI=1S/C23H25NO4/c1-11-9-14-5-6-15(23(27)20(14)18(10-11)28-4)16-7-8-17-19(22(16)26)12(2)24-13(3)21(17)25/h5-10,12-13,21,24-27H,1-4H3/t12-,13-,21+/m1/s1", + "name": "Dioncophyllinol B", + "names": [ + "Dioncophyllinol B" + ] + }, + { + "compound_id": "C12342", + "inchi": "InChI=1S/C27H33NO4/c1-15-11-20-19(9-10-21(29-5)25(20)22(12-15)30-6)26-23(31-7)14-18-13-16(2)28(4)17(3)24(18)27(26)32-8/h9-12,14,16-17H,13H2,1-8H3/t16-,17+/m0/s1", + "name": "Ancistrobrevine A", + "names": [ + "Ancistrobrevine A" + ] + }, + { + "compound_id": "C12343", + "inchi": "InChI=1S/C11H12O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,11-12,14H,5H2,1H3/t6-,11-/m1/s1", + "name": "Isoshinanolone", + "names": [ + "Isoshinanolone" + ] + }, + { + "compound_id": "C12344", + "inchi": "InChI=1S/C11H10O2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6,12-13H,1H3", + "name": "1,8-Dihydroxy-3-methylnaphthalene", + "names": [ + "1,8-Dihydroxy-3-methylnaphthalene" + ] + }, + { + "compound_id": "C12345", + "inchi": "InChI=1S/C11H11NO2/c1-6-3-8-4-9(13)5-10(14)11(8)7(2)12-6/h3-5,13-14H,1-2H3", + "name": "1,3-Dimethyl-6,8-isoquinolinediol", + "names": [ + "1,3-Dimethyl-6,8-isoquinolinediol" + ] + }, + { + "compound_id": "C12346", + "inchi": "InChI=1S/C11H11NO/c1-7-6-9-4-3-5-10(13)11(9)8(2)12-7/h3-6,13H,1-2H3", + "name": "1,3-Dimethyl-8-isoquinolinol", + "names": [ + "1,3-Dimethyl-8-isoquinolinol" + ] + }, + { + "compound_id": "C12347", + "inchi": "InChI=1S/C5H13O13P3/c6-3-1-5(7)16-4(3)2-15-20(11,12)18-21(13,14)17-19(8,9)10/h3-7H,1-2H2,(H,11,12)(H,13,14)(H2,8,9,10)/t3-,4+,5+/m0/s1", + "name": "Deoxyribose triphosphate", + "names": [ + "Deoxyribose triphosphate" + ] + }, + { + "compound_id": "C12348", + "inchi": null, + "name": "3,5,7,9,11,13,15-Heptaoxo-hexadecanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15-Heptaoxo-hexadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12349", + "inchi": null, + "name": "3,5,7,9,11,13,15-Heptaoxo-heptadecanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15-Heptaoxo-heptadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12350", + "inchi": null, + "name": "3,5,7,9,11,13,15-Heptaoxo-octadecanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15-Heptaoxo-octadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12351", + "inchi": null, + "name": "3,5,7,9,11,13,15,17-Octaoxo-octadecanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15,17-Octaoxo-octadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12352", + "inchi": null, + "name": "3,5,7,9,11,13,15,17-Octaoxo-nonadecanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15,17-Octaoxo-nonadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12353", + "inchi": null, + "name": "3,5,7,9,11,13,15,17-Octaoxo-eicosanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15,17-Octaoxo-eicosanoyl-[acp]" + ] + }, + { + "compound_id": "C12354", + "inchi": null, + "name": "3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp]" + ] + }, + { + "compound_id": "C12355", + "inchi": null, + "name": "3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp]" + ] + }, + { + "compound_id": "C12356", + "inchi": null, + "name": "3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]", + "names": [ + "3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]" + ] + }, + { + "compound_id": "C12357", + "inchi": null, + "name": "3,5,7,11,13,15-Heptaoxo-9-hydroxy-hexadecanoyl-[acp]", + "names": [ + "3,5,7,11,13,15-Heptaoxo-9-hydroxy-hexadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12358", + "inchi": null, + "name": "3,5,7,11,13,15-Heptaoxo-9-hydroxy-heptadecanoyl-[acp]", + "names": [ + "3,5,7,11,13,15-Heptaoxo-9-hydroxy-heptadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12359", + "inchi": null, + "name": "3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp]", + "names": [ + "3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12360", + "inchi": null, + "name": "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]", + "names": [ + "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12361", + "inchi": null, + "name": "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-nonadecanoyl-[acp]", + "names": [ + "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-nonadecanoyl-[acp]" + ] + }, + { + "compound_id": "C12362", + "inchi": null, + "name": "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-eicosanoyl-[acp]", + "names": [ + "9-Hydroxy-3,5,7,11,13,15,17-octaoxo-eicosanoyl-[acp]" + ] + }, + { + "compound_id": "C12363", + "inchi": null, + "name": "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-eicosanoyl-[acp]", + "names": [ + "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-eicosanoyl-[acp]" + ] + }, + { + "compound_id": "C12364", + "inchi": null, + "name": "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]", + "names": [ + "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]" + ] + }, + { + "compound_id": "C12365", + "inchi": null, + "name": "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp]", + "names": [ + "9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp]" + ] + }, + { + "compound_id": "C12366", + "inchi": "InChI=1S/C20H16O8/c1-8(21)16-10(4-13(23)7-15(25)26)2-9-3-11-5-12(22)6-14(24)17(11)20(28)18(9)19(16)27/h2-6,22-24,27-28H,7H2,1H3,(H,25,26)/b13-4+", + "name": "Tetracenomycin F2", + "names": [ + "Tcm F2", + "Tetracenomycin F2" + ] + }, + { + "compound_id": "C12367", + "inchi": "InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27)", + "name": "Tetracenomycin F1", + "names": [ + "Tetracenomycin F1" + ] + }, + { + "compound_id": "C12368", + "inchi": "InChI=1S/C20H12O8/c1-6-13-7(3-11(22)14(6)20(27)28)2-9-16(18(13)25)19(26)15-10(17(9)24)4-8(21)5-12(15)23/h2-5,21-23,25H,1H3,(H,27,28)", + "name": "Tetracenomycin D3", + "names": [ + "Tetracenomycin D3" + ] + }, + { + "compound_id": "C12369", + "inchi": "InChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)", + "name": "Tetracenomycin B3", + "names": [ + "Tetracenomycin B3" + ] + }, + { + "compound_id": "C12370", + "inchi": "InChI=1S/C22H16O8/c1-8-15-9(5-14(30-3)16(8)22(27)28)4-11-18(20(15)25)21(26)17-12(19(11)24)6-10(29-2)7-13(17)23/h4-7,23,25H,1-3H3,(H,27,28)", + "name": "Tetracenomycin E", + "names": [ + "Tetracenomycin E" + ] + }, + { + "compound_id": "C12371", + "inchi": "InChI=1S/C23H18O8/c1-9-16-10(6-15(30-3)17(9)23(28)31-4)5-12-19(21(16)26)22(27)18-13(20(12)25)7-11(29-2)8-14(18)24/h5-8,24,26H,1-4H3", + "name": "Tetracenomycin A2", + "names": [ + "Tetracenomycin A2" + ] + }, + { + "compound_id": "C12372", + "inchi": "InChI=1S/C19H16O7/c1-19(26)6-9(21)2-7-3-10-14(18(25)15(7)19)17(24)13-11(16(10)23)4-8(20)5-12(13)22/h3-5,9,20-22,25-26H,2,6H2,1H3", + "name": "Tetracenomycin M", + "names": [ + "Tetracenomycin M" + ] + }, + { + "compound_id": "C12373", + "inchi": "InChI=1S/C21H16O7/c1-8-15-11(6-13(23)16(8)21(27)28-2)4-9-3-10-5-12(22)7-14(24)17(10)20(26)18(9)19(15)25/h4-7,22-25H,3H2,1-2H3", + "name": "Tetracenomycin F1 methylester", + "names": [ + "Tetracenomycin F1 methylester" + ] + }, + { + "compound_id": "C12374", + "inchi": "InChI=1S/C19H14O5/c1-8-2-12(20)5-10-3-9-4-11-6-13(21)7-14(22)16(11)19(24)17(9)18(23)15(8)10/h2-3,5-7,20-23H,4H2,1H3", + "name": "Decarboxytetracenomycin F1", + "names": [ + "Decarboxytetracenomycin F1" + ] + }, + { + "compound_id": "C12375", + "inchi": "InChI=1S/C21H14O8/c1-7-14-8(4-12(23)15(7)21(28)29-2)3-10-17(19(14)26)20(27)16-11(18(10)25)5-9(22)6-13(16)24/h3-6,22-24,26H,1-2H3", + "name": "Tetracenomycin D3 methylester", + "names": [ + "Tetracenomycin D3 methylester" + ] + }, + { + "compound_id": "C12376", + "inchi": "InChI=1S/C19H12O6/c1-7-2-9(20)3-8-4-11-16(18(24)14(7)8)19(25)15-12(17(11)23)5-10(21)6-13(15)22/h2-6,20-22,24H,1H3", + "name": "Tetracenomycin D1", + "names": [ + "Tetracenomycin D1" + ] + }, + { + "compound_id": "C12377", + "inchi": "InChI=1S/C20H14O6/c1-8-3-10(21)4-9-5-12-17(19(24)15(8)9)20(25)16-13(18(12)23)6-11(26-2)7-14(16)22/h3-7,21-22,24H,1-2H3", + "name": "Tetracenomycin B1", + "names": [ + "Tetracenomycin B1" + ] + }, + { + "compound_id": "C12378", + "inchi": "InChI=1S/C22H16O8/c1-8-15-9(5-13(23)16(8)22(28)30-3)4-11-18(20(15)26)21(27)17-12(19(11)25)6-10(29-2)7-14(17)24/h4-7,23-24,26H,1-3H3", + "name": "Tetracenomycin B2", + "names": [ + "8-Demethyltetracenomycin A2", + "Tetracenomycin B2" + ] + }, + { + "compound_id": "C12379", + "inchi": "InChI=1S/C22H18O11/c1-7-13-8(5-10(23)14(7)20(29)33-3)4-9-15(16(13)25)19(28)21(30)12(24)6-11(32-2)18(27)22(21,31)17(9)26/h4-6,18,23,25,27,30-31H,1-3H3/t18-,21-,22-/m1/s1", + "name": "8-Demethyltetracenomycin C", + "names": [ + "8-Demethyltetracenomycin C" + ] + }, + { + "compound_id": "C12380", + "inchi": "InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1", + "name": "Tetracenomycin X", + "names": [ + "Tetracenomycin X" + ] + }, + { + "compound_id": "C12381", + "inchi": "InChI=1S/C32H36O15/c1-12-19-14(10-16(20(12)29(38)44-7)47-30-25(43-6)24(42-5)23(41-4)13(2)46-30)9-15-21(22(19)34)28(37)32(45-8)18(33)11-17(40-3)27(36)31(32,39)26(15)35/h9-11,13,23-25,27,30,34,36,39H,1-8H3/t13-,23-,24+,25+,27+,30-,31+,32+/m0/s1", + "name": "Elloramycin A", + "names": [ + "Elloramycin A" + ] + }, + { + "compound_id": "C12382", + "inchi": "InChI=1S/C20H16O9/c1-6(21)12-17(26)15(24)10-4-8-2-7-3-9(22)5-11(23)13(7)16(25)14(8)19(28)20(10,29)18(12)27/h2-3,5,10,15,22-26,29H,4H2,1H3/t10-,15-,20+/m0/s1", + "name": "4-Demethylpremithramycinone", + "names": [ + "4-Demethylpremithramycinone" + ] + }, + { + "compound_id": "C12383", + "inchi": "InChI=1S/C21H18O9/c1-7(22)13-17(26)18(30-2)11-5-9-3-8-4-10(23)6-12(24)14(8)16(25)15(9)20(28)21(11,29)19(13)27/h3-4,6,11,18,23-26,29H,5H2,1-2H3/t11-,18-,21+/m0/s1", + "name": "Premithramycinone", + "names": [ + "Premithramycinone" + ] + }, + { + "compound_id": "C12384", + "inchi": "InChI=1S/C27H28O12/c1-9(28)18-23(34)24(37-3)14-6-12-4-11-5-13(29)7-15(30)19(11)22(33)20(12)26(36)27(14,25(18)35)39-17-8-16(31)21(32)10(2)38-17/h4-5,7,10,14,16-17,21,24,29-34H,6,8H2,1-3H3/t10-,14+,16-,17?,21-,24+,27?/m1/s1", + "name": "Premithramycin A1", + "names": [ + "Premithramycin A1" + ] + }, + { + "compound_id": "C12385", + "inchi": "InChI=1S/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-41H,7,9-10H2,1-4H3/t12-,13-,17+,19-,20-,21+,22?,26+,27-,30+,33?/m1/s1", + "name": "Premithramycin A2'", + "names": [ + "Premithramycin A2'" + ] + }, + { + "compound_id": "C12386", + "inchi": "InChI=1S/C40H50O18/c1-14(41)28-34(47)35(52-6)21-9-19-7-18-8-20(42)10-22(43)29(18)33(46)30(19)38(50)40(21,37(28)49)58-26-12-24(32(45)16(3)54-26)56-25-11-23(31(44)15(2)53-25)57-27-13-39(5,51)36(48)17(4)55-27/h7-8,10,15-17,21,23-27,31-32,35-36,42-48,51H,9,11-13H2,1-6H3/t15-,16-,17-,21+,23-,24-,25+,26?,27+,31+,32-,35+,36-,39+,40?/m1/s1", + "name": "Premithramycin A3'", + "names": [ + "Premithramycin A3'" + ] + }, + { + "compound_id": "C12387", + "inchi": "InChI=1S/C41H52O18/c1-14-22(43)10-20-8-19-9-21-36(53-7)35(48)28(15(2)42)38(50)41(21,39(51)30(19)34(47)29(20)31(14)44)59-26-12-24(33(46)17(4)55-26)57-25-11-23(32(45)16(3)54-25)58-27-13-40(6,52)37(49)18(5)56-27/h8,10,16-18,21,23-27,32-33,36-37,43-49,52H,9,11-13H2,1-7H3/t16-,17-,18-,21+,23-,24-,25+,26?,27+,32+,33-,36+,37-,40+,41?/m1/s1", + "name": "Premithramycin A3", + "names": [ + "Premithramycin A3" + ] + }, + { + "compound_id": "C12388", + "inchi": "InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36?,37+,42-,43-,44+,45-,48+,49-,52+,53?/m1/s1", + "name": "Premithramycin B", + "names": [ + "Premithramycin B" + ] + }, + { + "compound_id": "C12389", + "inchi": "InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36?,37+,41+,42-,43-,44-,45+,49+,50?,51-,52+/m1/s1", + "name": "Mithramycin", + "names": [ + "Mithramycin", + "Plicamycin" + ] + }, + { + "compound_id": "C12390", + "inchi": "InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-7,20-22H,1H3", + "name": "Dehydrorabelomycin", + "names": [ + "Dehydrorabelomycin" + ] + }, + { + "compound_id": "C12391", + "inchi": "InChI=1S/C18H10O5/c1-7-5-9-12(11(20)6-7)14-15(17(9)22)18(23)13-8(16(14)21)3-2-4-10(13)19/h2-6,19-20H,1H3", + "name": "Kinobscurinone", + "names": [ + "4,9-Dihydroxy-2-methyl-11H-benzo[b]fluorene-5,10,11-trione", + "Kinobscurinone" + ] + }, + { + "compound_id": "C12392", + "inchi": "InChI=1S/C18H13NO4/c1-7-5-9-12(11(21)6-7)14-15(16(9)19)18(23)13-8(17(14)22)3-2-4-10(13)20/h2-6,16,20-21H,19H2,1H3", + "name": "Stealthin C", + "names": [ + "Stealthin C" + ] + }, + { + "compound_id": "C12393", + "inchi": "InChI=1S/C18H10N2O4/c1-7-5-9-12(11(22)6-7)14-15(16(9)20-19)18(24)13-8(17(14)23)3-2-4-10(13)21/h2-6,21-22H,1H3", + "name": "Prekinamycin", + "names": [ + "Prekinamycin" + ] + }, + { + "compound_id": "C12394", + "inchi": "InChI=1S/C22H18N2O9/c1-7(25)32-20-15-13(19(30)21(22(20,3)31)33-8(2)26)12-14(16(15)24-23)18(29)11-9(17(12)28)5-4-6-10(11)27/h4-6,19-21,27,30-31H,1-3H3/t19-,20+,21+,22+/m0/s1", + "name": "Kinamycin D", + "names": [ + "Kinamycin D" + ] + }, + { + "compound_id": "C12395", + "inchi": "InChI=1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3/t13-,14-,18+,20-,24-,26-,29-/m0/s1", + "name": "Jadomycin B", + "names": [ + "Jadomycin B" + ] + }, + { + "compound_id": "C12396", + "inchi": "InChI=1S/C19H14O5/c1-19(24)7-9-5-6-11-16(14(9)13(21)8-19)18(23)10-3-2-4-12(20)15(10)17(11)22/h2-6,20,24H,7-8H2,1H3", + "name": "Tetrangomycin", + "names": [ + "Tetrangomycin" + ] + }, + { + "compound_id": "C12397", + "inchi": "InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3", + "name": "Tetrangulol", + "names": [ + "Tetrangulol" + ] + }, + { + "compound_id": "C12398", + "inchi": "InChI=1S/C20H14O4/c1-10-8-11-6-7-13-18(16(11)14(21)9-10)20(23)12-4-3-5-15(24-2)17(12)19(13)22/h3-9,21H,1-2H3", + "name": "8-O-Methyltetrangulol", + "names": [ + "8-O-Methyltetrangulol" + ] + }, + { + "compound_id": "C12399", + "inchi": "InChI=1S/C19H12O5/c20-8-9-6-10-4-5-12-17(15(10)14(22)7-9)19(24)11-2-1-3-13(21)16(11)18(12)23/h1-7,20-22H,8H2", + "name": "19-Hydroxytetrangulol", + "names": [ + "19-Hydroxytetrangulol" + ] + }, + { + "compound_id": "C12400", + "inchi": "InChI=1S/C20H14O5/c1-25-15-4-2-3-12-17(15)19(23)13-6-5-11-7-10(9-21)8-14(22)16(11)18(13)20(12)24/h2-8,21-22H,9H2,1H3", + "name": "19-Hydroxy-8-O-methyltetrangulol", + "names": [ + "19-Hydroxy-8-O-methyltetrangulol" + ] + }, + { + "compound_id": "C12401", + "inchi": "InChI=1S/C20H16O7/c1-27-12-4-2-3-9-14(12)19(25)16-15(17(9)23)13-10(18(24)20(16)26)5-8(7-21)6-11(13)22/h2-6,18,20-22,24,26H,7H2,1H3/t18-,20-/m1/s1", + "name": "PD116740", + "names": [ + "PD116740" + ] + }, + { + "compound_id": "C12402", + "inchi": "InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1", + "name": "Rabelomycin", + "names": [ + "Rabelomycin" + ] + }, + { + "compound_id": "C12403", + "inchi": "InChI=1S/C25H24O9/c1-9-21(29)14(27)6-16(34-9)11-3-4-12-18(22(11)30)24(32)19-13(26)5-10-7-25(2,33)8-15(28)17(10)20(19)23(12)31/h3-5,9,14,16,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,14-,16-,21-,25-/m1/s1", + "name": "104-1", + "names": [ + "104-1" + ] + }, + { + "compound_id": "C12404", + "inchi": "InChI=1S/C25H24O8/c1-10-21(28)15(26)7-17(33-10)12-5-6-14-20(22(12)29)24(31)13-4-3-11-8-25(2,32)9-16(27)18(11)19(13)23(14)30/h3-6,10,15,17,21,26,28-29,32H,7-9H2,1-2H3/t10-,15-,17-,21-,25-/m1/s1", + "name": "Urdamycinone B", + "names": [ + "Urdamycinone B" + ] + }, + { + "compound_id": "C12405", + "inchi": "InChI=1S/C31H34O10/c1-13-19(32)8-9-23(40-13)41-22-10-21(39-14(2)27(22)34)16-6-7-18-26(28(16)35)30(37)17-5-4-15-11-31(3,38)12-20(33)24(15)25(17)29(18)36/h4-7,13-14,19,21-23,27,32,34-35,38H,8-12H2,1-3H3/t13-,14+,19-,21+,22+,23-,27+,31+/m0/s1", + "name": "100-1", + "names": [ + "100-1" + ] + }, + { + "compound_id": "C12406", + "inchi": "InChI=1S/C37H44O13/c1-15-24(49-28-11-22(38)32(40)16(2)48-28)9-10-27(47-15)50-26-12-25(46-17(3)33(26)41)19-7-8-21-31(34(19)42)36(44)20-6-5-18-13-37(4,45)14-23(39)29(18)30(20)35(21)43/h5-8,15-17,22,24-28,32-33,38,40-42,45H,9-14H2,1-4H3/t15-,16+,17+,22+,24?,25+,26+,27-,28?,32+,33+,37+/m0/s1", + "name": "Urdamycin B", + "names": [ + "Urdamycin B" + ] + }, + { + "compound_id": "C12407", + "inchi": "InChI=1S/C25H24O9/c1-9-21(29)15(27)6-17(34-9)10-3-4-11-20(22(10)30)24(32)12-5-14(26)13-7-25(2,33)8-16(28)18(13)19(12)23(11)31/h3-5,9,15,17,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,15-,17-,21-,25-/m1/s1", + "name": "104-2", + "names": [ + "104-2" + ] + }, + { + "compound_id": "C12408", + "inchi": "InChI=1S/C31H36O12/c1-13-18(32)6-7-22(42-13)43-31-21(34)11-29(3,39)12-30(31,40)9-8-17-24(31)28(38)16-5-4-15(26(36)23(16)27(17)37)20-10-19(33)25(35)14(2)41-20/h4-5,8-9,13-14,18-20,22,25,32-33,35-36,39-40H,6-7,10-12H2,1-3H3/t13-,14+,18-,19+,20+,22-,25+,29-,30-,31-/m0/s1", + "name": "100-2", + "names": [ + "100-2" + ] + }, + { + "compound_id": "C12409", + "inchi": "InChI=1S/C37H44O14/c1-14-24(50-28-10-22(39)32(41)15(2)49-28)7-8-27(48-14)51-26-11-25(47-16(3)33(26)42)17-5-6-18-31(34(17)43)36(45)19-9-21(38)20-12-37(4,46)13-23(40)29(20)30(19)35(18)44/h5-6,9,14-16,22,24-28,32-33,38-39,41-43,46H,7-8,10-13H2,1-4H3/t14-,15+,16+,22+,24?,25+,26+,27-,28?,32+,33+,37+/m0/s1", + "name": "124-1", + "names": [ + "124-1" + ] + }, + { + "compound_id": "C12410", + "inchi": "InChI=1S/C25H28O11/c1-9-19(29)12(26)5-14(36-9)10-3-4-11-16(20(10)30)22(32)17-13(27)6-24(34)8-23(2,33)7-15(28)25(24,35)18(17)21(11)31/h3-4,9,12-14,19,26-27,29-30,33-35H,5-8H2,1-2H3/t9-,12-,13-,14-,19-,23+,24+,25+/m1/s1", + "name": "Urdamycinone F", + "names": [ + "Urdamycinone F" + ] + }, + { + "compound_id": "C12411", + "inchi": "InChI=1S/C43H58O18/c1-17-23(44)8-10-31(56-17)61-43-29(47)15-41(5,53)16-42(43,54)14-25(46)34-35(43)39(51)22-7-6-21(38(50)33(22)40(34)52)27-13-28(37(49)20(4)55-27)60-30-11-9-26(18(2)57-30)59-32-12-24(45)36(48)19(3)58-32/h6-7,17-20,23-28,30-32,36-37,44-46,48-50,53-54H,8-16H2,1-5H3/t17-,18-,19+,20+,23-,24+,25+,26?,27+,28+,30-,31-,32?,36+,37+,41-,42-,43-/m0/s1", + "name": "Urdamycin F", + "names": [ + "Urdamycin F" + ] + }, + { + "compound_id": "C12412", + "inchi": "InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3/t10-,14-,15-,19-,23+,24+,25+/m1/s1", + "name": "Aquayamycin", + "names": [ + "Aquayamycin" + ] + }, + { + "compound_id": "C12413", + "inchi": "InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27?,28+,29+,31-,32-,33?,36+,37+,41-,42-,43-/m0/s1", + "name": "Urdamycin A", + "names": [ + "Urdamycin A" + ] + }, + { + "compound_id": "C12414", + "inchi": "InChI=1S/C37H46O14/c1-16-22(38)7-9-27(48-16)50-25-13-24(47-18(3)31(25)41)19-5-6-20-29(32(19)42)33(43)21-11-12-36(46)15-35(4,45)14-26(40)37(36,30(21)34(20)44)51-28-10-8-23(39)17(2)49-28/h5-6,11-12,16-18,22-25,27-28,31,38-39,41-42,45-46H,7-10,13-15H2,1-4H3/t16-,17-,18+,22-,23-,24+,25+,27-,28-,31+,35-,36-,37-/m0/s1", + "name": "Urdamycin G", + "names": [ + "Aggreticin", + "OM 4842", + "Urdamycin G" + ] + }, + { + "compound_id": "C12415", + "inchi": "InChI=1S/C21H16O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,23,27H,6,8H2,1-2H3", + "name": "Nogalonic acid methyl ester", + "names": [ + "NAME", + "Nogalonic acid methyl ester" + ] + }, + { + "compound_id": "C12416", + "inchi": "InChI=1S/C20H14O8/c1-8(21)5-13(23)15-9(7-14(24)25)6-11-17(19(15)27)20(28)16-10(18(11)26)3-2-4-12(16)22/h2-4,6,22,27H,5,7H2,1H3,(H,24,25)", + "name": "Nogalonic acid", + "names": [ + "Nogalonic acid" + ] + }, + { + "compound_id": "C12417", + "inchi": "InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/t16?,21-/m1/s1", + "name": "Auraviketone", + "names": [ + "Auraviketone" + ] + }, + { + "compound_id": "C12418", + "inchi": "InChI=1S/C21H18O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,9,22-23,27H,6,8H2,1-2H3", + "name": "Dihydro-NAME", + "names": [ + "Dihydro-NAME", + "Dihydro-nogalonic acid methyl ester" + ] + }, + { + "compound_id": "C12419", + "inchi": "InChI=1S/C21H18O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21+/m0/s1", + "name": "Auramycinone", + "names": [ + "Auramycinone" + ] + }, + { + "compound_id": "C12420", + "inchi": "InChI=1S/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,23,28H,2,6,8-9H2,1H3,(H,25,26)", + "name": "12-Deoxyaklanonic acid", + "names": [ + "12-Deoxyaklanonic acid" + ] + }, + { + "compound_id": "C12421", + "inchi": "InChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,23,28H,2,7-8H2,1H3,(H,25,26)", + "name": "Aklanonic acid", + "names": [ + "Aklanonic acid" + ] + }, + { + "compound_id": "C12422", + "inchi": "InChI=1S/C22H18O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,24,28H,3,8-9H2,1-2H3", + "name": "Aklanonic acid methyl ester", + "names": [ + "AAME", + "Aklanonic acid methyl ester" + ] + }, + { + "compound_id": "C12423", + "inchi": "InChI=1S/C22H18O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,17,23,27,29H,3,8H2,1-2H3/t17-,22+/m0/s1", + "name": "Aklaviketone", + "names": [ + "Aklaviketone" + ] + }, + { + "compound_id": "C12424", + "inchi": "InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1", + "name": "Aklavinone", + "names": [ + "Aklavinone" + ] + }, + { + "compound_id": "C12425", + "inchi": "InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1", + "name": "epsilon-Rhodomycinone", + "names": [ + "Rhodomycinone", + "epsilon-Rhodomycinone" + ] + }, + { + "compound_id": "C12426", + "inchi": "InChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(31)10(2)39-15)17-18(21(28)27(36)38-3)26(35)19-20(25(17)34)24(33)16-11(23(19)32)6-5-7-13(16)30/h5-7,10,12,14-15,21-22,30-31,34-35,37H,4,8-9,29H2,1-3H3/t10-,12-,14?,15?,21-,22+,28+/m0/s1", + "name": "Rhodomycin D", + "names": [ + "Rhodomycin D" + ] + }, + { + "compound_id": "C12427", + "inchi": "InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1", + "name": "10-Carboxy-13-deoxycarminomycin", + "names": [ + "10-Carboxy-13-deoxycarminomycin", + "D 788-1" + ] + }, + { + "compound_id": "C12428", + "inchi": "InChI=1S/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/t10-,13-,15-,16-,21+,26-/m0/s1", + "name": "13-Deoxycarminomycin", + "names": [ + "13-Deoxycarminomycin" + ] + }, + { + "compound_id": "C12429", + "inchi": "InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16-,17-,22+,27-/m0/s1", + "name": "13-Deoxydaunorubicin", + "names": [ + "13-Deoxydaunorubicin", + "Feudomycin A" + ] + }, + { + "compound_id": "C12430", + "inchi": "InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11+,14-,16-,17-,22+,27-/m0/s1", + "name": "13-Dihydrodaunorubicin", + "names": [ + "13-Dihydrodaunorubicin" + ] + }, + { + "compound_id": "C12431", + "inchi": "InChI=1S/C26H29NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9-10,13,15-16,21,28-30,32,34-35H,6-8,27H2,1-2H3/t9-,10+,13-,15-,16-,21+,26-/m0/s1", + "name": "13-Dihydrocarminomycin", + "names": [ + "13-Dihydrocarminomycin" + ] + }, + { + "compound_id": "C12432", + "inchi": "InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1", + "name": "Carminomycin", + "names": [ + "Carminomycin" + ] + }, + { + "compound_id": "C12433", + "inchi": "InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11-,14-,16-,17-,22+,27-/m0/s1", + "name": "(13S)-13-Dihydrodaunorubicin", + "names": [ + "(13S)-13-Dihydrodaunorubicin" + ] + }, + { + "compound_id": "C12434", + "inchi": "InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1", + "name": "(S)-DNPA", + "names": [ + "(S)-DNPA", + "4-Dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho[2,3-c]pyran-3-acetic acid" + ] + }, + { + "compound_id": "C12435", + "inchi": "InChI=1S/C16H16O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-4,8,11,17H,5-7H2,1H3,(H,18,19)/t8-,11+/m1/s1", + "name": "6-Deoxydihydrokalafungin", + "names": [ + "6-Deoxydihydrokalafungin", + "DDHK" + ] + }, + { + "compound_id": "C12436", + "inchi": "InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1", + "name": "Dihydrokalafungin", + "names": [ + "DHK", + "Dihydrokalafungin" + ] + }, + { + "compound_id": "C12437", + "inchi": "InChI=1S/C24H27NO8/c1-9-17-19(24-15(31-9)8-16(26)33-24)22(29)12-6-5-11(21(28)18(12)23(17)30)14-7-13(25(3)4)20(27)10(2)32-14/h5-6,9-10,13-15,20,24,27-28H,7-8H2,1-4H3/t9-,10-,13-,14-,15-,20-,24+/m1/s1", + "name": "Medermycin", + "names": [ + "Medermycin" + ] + }, + { + "compound_id": "C12439", + "inchi": null, + "name": "Phenanthroviridone aglycon", + "names": [ + "Phenanthroviridone aglycon" + ] + }, + { + "compound_id": "C12440", + "inchi": "InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8-/m0/s1", + "name": "Trachelanthamidine", + "names": [ + "Trachelanthamidine" + ] + }, + { + "compound_id": "C12441", + "inchi": null, + "name": "Nonaketamide", + "names": [ + "18-Carbamoyl-3,5,7,9,11,13,15,17-octaoxo-octadecanoyl-[acp]", + "Nonaketamide" + ] + }, + { + "compound_id": "C12442", + "inchi": null, + "name": "C-9 Reduced nonaketamide", + "names": [ + "18-Carbamoyl-9-hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]", + "C-9 Reduced nonaketamide" + ] + }, + { + "compound_id": "C12443", + "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9-,10-,11+,12+,13+,14+/m0/s1", + "name": "dTDP-beta-L-daunosamine", + "names": [ + "dTDP-beta-L-daunosamine" + ] + }, + { + "compound_id": "C12444", + "inchi": "InChI=1S/C17H28N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-14,20-21,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10+,11-,12-,13-,14-,17+/m1/s1", + "name": "dTDP-D-mycarose", + "names": [ + "dTDP-D-mycarose" + ] + }, + { + "compound_id": "C12446", + "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-,14+/m1/s1", + "name": "dTDP-D-oliose", + "names": [ + "dTDP-2,6-dideoxy-D-galactose", + "dTDP-D-oliose" + ] + }, + { + "compound_id": "C12447", + "inchi": "InChI=1S/C16H26N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9-14,19-20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,10-,11-,12+,13+,14+/m0/s1", + "name": "dTDP-beta-L-rhodinose", + "names": [ + "dTDP-beta-L-rhodinose" + ] + }, + { + "compound_id": "C12448", + "inchi": "InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6?,7?,8-,9+/m0/s1", + "name": "Ecgonine methyl ester", + "names": [ + "Ecgonine methyl ester", + "Methyl ecgonine" + ] + }, + { + "compound_id": "C12449", + "inchi": "InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8-/m0/s1", + "name": "Pseudoecgonine", + "names": [ + "Pseudoecgonine" + ] + }, + { + "compound_id": "C12450", + "inchi": "InChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15?,16?,17-,18+,20-,22+,23+,24?,28+/m0/s1", + "name": "Pseudoecgonyl-CoA", + "names": [ + "Pseudoecgonyl-CoA" + ] + }, + { + "compound_id": "C12451", + "inchi": "InChI=1S/C19H16O7/c1-19(26,8-13(21)22)7-9-5-6-11-15(16(9)23)18(25)10-3-2-4-12(20)14(10)17(11)24/h2-6,20,23,26H,7-8H2,1H3,(H,21,22)/t19-/m1/s1", + "name": "Fridamycin E", + "names": [ + "Fridamycin E" + ] + }, + { + "compound_id": "C12452", + "inchi": "InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3", + "name": "Acetyltropine", + "names": [ + "3-Acetyltropine", + "Acetyltropine" + ] + }, + { + "compound_id": "C12453", + "inchi": "InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3", + "name": "Acetylpseudotropine", + "names": [ + "Acetylpseudotropine" + ] + }, + { + "compound_id": "C12454", + "inchi": "InChI=1S/C15H17N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-4,6-7,10-12,15,18H,5,8-9H2", + "name": "Anatalline", + "names": [ + "Anatalline" + ] + }, + { + "compound_id": "C12455", + "inchi": "InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2", + "name": "5-Aminopentanal", + "names": [ + "5-Aminopentanal" + ] + }, + { + "compound_id": "C12456", + "inchi": "InChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-12(11)15)8-13(16)14(17)18/h3-4,6-7,15H,5,8H2,1-2H3,(H,17,18)", + "name": "3-Dimethylallyl-4-hydroxyphenylpyruvate", + "names": [ + "3-Dimethylallyl-4-hydroxyphenylpyruvate" + ] + }, + { + "compound_id": "C12457", + "inchi": "InChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17)", + "name": "3-Dimethylallyl-4-hydroxymandelic acid", + "names": [ + "3-Dimethylallyl-4-hydroxymandelic acid" + ] + }, + { + "compound_id": "C12458", + "inchi": "InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15)", + "name": "3-Dimethylallyl-4-hydroxybenzoate", + "names": [ + "3-Dimethylallyl-4-hydroxybenzoate" + ] + }, + { + "compound_id": "C12459", + "inchi": "InChI=1S/C12H14O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h3-4,6-8,14H,5H2,1-2H3", + "name": "3-Dimethylallyl-4-hydroxybenzaldehyde", + "names": [ + "3-Dimethylallyl-4-hydroxybenzaldehyde" + ] + }, + { + "compound_id": "C12460", + "inchi": null, + "name": "3-Dimethylallyl-beta-hydroxy-L-tyrosyl-[pcp]", + "names": [ + "3-Dimethylallyl-beta-hydroxy-L-tyrosyl-[pcp]" + ] + }, + { + "compound_id": "C12461", + "inchi": null, + "name": "L-Tyrosyl-[pcp]", + "names": [ + "L-Tyrosyl-[pcp]" + ] + }, + { + "compound_id": "C12462", + "inchi": null, + "name": "beta-Hydroxy-L-tyrosyl-[pcp]", + "names": [ + "beta-Hydroxy-L-tyrosyl-[pcp]" + ] + }, + { + "compound_id": "C12463", + "inchi": null, + "name": "beta-Keto-L-tyrosyl-[pcp]", + "names": [ + "beta-Keto-L-tyrosyl-[pcp]" + ] + }, + { + "compound_id": "C12464", + "inchi": null, + "name": "3-Methyl-beta-keto-L-tyrosyl-[pcp]", + "names": [ + "3-Methyl-beta-keto-L-tyrosyl-[pcp]" + ] + }, + { + "compound_id": "C12465", + "inchi": null, + "name": "2-Hydroxy-3-methyl-beta-keto-L-tyrosyl-[pcp]", + "names": [ + "2-Hydroxy-3-methyl-beta-keto-L-tyrosyl-[pcp]" + ] + }, + { + "compound_id": "C12466", + "inchi": "InChI=1S/C10H9NO4/c1-4-6(12)3-2-5-8(13)7(11)10(14)15-9(4)5/h2-3,12-13H,11H2,1H3", + "name": "3-Amino-4,7-dihydroxy-8-methylcoumarin", + "names": [ + "3-Amino-4,7-dihydroxy-8-methylcoumarin" + ] + }, + { + "compound_id": "C12467", + "inchi": null, + "name": "2-Hydroxy-beta-keto-L-tyrosyl-[pcp]", + "names": [ + "2-Hydroxy-beta-keto-L-tyrosyl-[pcp]" + ] + }, + { + "compound_id": "C12468", + "inchi": "InChI=1S/C9H7NO4/c10-7-8(12)5-2-1-4(11)3-6(5)14-9(7)13/h1-3,11-12H,10H2", + "name": "3-Amino-4,7-dihydroxycoumarin", + "names": [ + "3-Amino-4,7-dihydroxycoumarin" + ] + }, + { + "compound_id": "C12469", + "inchi": "InChI=1S/C9H6ClNO4/c10-5-4(12)2-1-3-7(13)6(11)9(14)15-8(3)5/h1-2,12-13H,11H2", + "name": "3-Amino-4,7-dihydroxy-8-chlorocoumarin", + "names": [ + "3-Amino-4,7-dihydroxy-8-chlorocoumarin" + ] + }, + { + "compound_id": "C12470", + "inchi": null, + "name": "L-Prolyl-[pcp]", + "names": [ + "L-Prolyl-[pcp]" + ] + }, + { + "compound_id": "C12471", + "inchi": "InChI=1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27)", + "name": "Chlorobiocic acid", + "names": [ + "Chlorobiocic acid" + ] + }, + { + "compound_id": "C12472", + "inchi": "InChI=1S/C28H30ClNO10/c1-12(2)5-6-13-11-14(7-9-16(13)31)25(36)30-19-20(32)15-8-10-17(18(29)23(15)39-26(19)37)38-27-22(34)21(33)24(35)28(3,4)40-27/h5,7-11,21-22,24,27,31-35H,6H2,1-4H3,(H,30,36)/t21-,22+,24+,27+/m0/s1", + "name": "Novclobiocin 105", + "names": [ + "Novclobiocin 105" + ] + }, + { + "compound_id": "C12473", + "inchi": "InChI=1S/C29H32ClNO10/c1-13(2)6-7-14-12-15(8-10-17(14)32)26(36)31-20-21(33)16-9-11-18(19(30)24(16)40-27(20)37)39-28-23(35)22(34)25(38-5)29(3,4)41-28/h6,8-12,22-23,25,28,32-35H,7H2,1-5H3,(H,31,36)/t22-,23+,25+,28+/m0/s1", + "name": "Novclobiocin 104", + "names": [ + "Novclobiocin 104" + ] + }, + { + "compound_id": "C12474", + "inchi": "InChI=1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)", + "name": "Novobiocic acid", + "names": [ + "Novobiocic acid" + ] + }, + { + "compound_id": "C12475", + "inchi": "InChI=1S/C29H33NO10/c1-13(2)6-7-15-12-16(8-10-18(15)31)26(36)30-20-21(32)17-9-11-19(14(3)24(17)39-27(20)37)38-28-23(34)22(33)25(35)29(4,5)40-28/h6,8-12,22-23,25,28,31-35H,7H2,1-5H3,(H,30,36)/t22-,23+,25+,28+/m0/s1", + "name": "Desmethyldescarbamoylnovobiocin", + "names": [ + "Desmethyldescarbamoylnovobiocin" + ] + }, + { + "compound_id": "C12476", + "inchi": "InChI=1S/C30H35NO10/c1-14(2)7-8-16-13-17(9-11-19(16)32)27(36)31-21-22(33)18-10-12-20(15(3)25(18)40-28(21)37)39-29-24(35)23(34)26(38-6)30(4,5)41-29/h7,9-13,23-24,26,29,32-35H,8H2,1-6H3,(H,31,36)/t23-,24+,26+,29+/m0/s1", + "name": "Descarbamoylnovobiocin", + "names": [ + "Descarbamoylnovobiocin" + ] + }, + { + "compound_id": "C12477", + "inchi": "InChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2,8H,1H3,(H,9,10)(H,11,12)", + "name": "3-Methylpyrrole-2,4-dicarboxylic acid", + "names": [ + "3-Methylpyrrole-2,4-dicarboxylic acid" + ] + }, + { + "compound_id": "C12478", + "inchi": "InChI=1S/C17H14N2O7/c1-6-9(16(23)24)5-18-11(6)15(22)19-12-13(21)8-3-4-10(20)7(2)14(8)26-17(12)25/h3-5,18,20-21H,1-2H3,(H,19,22)(H,23,24)", + "name": "Coumeroic acid", + "names": [ + "Coumeroic acid" + ] + }, + { + "compound_id": "C12479", + "inchi": "InChI=1S/C27H21N3O10/c1-9-14(24(35)29-18-20(33)12-4-6-15(31)10(2)22(12)39-26(18)37)8-28-17(9)25(36)30-19-21(34)13-5-7-16(32)11(3)23(13)40-27(19)38/h4-8,28,31-34H,1-3H3,(H,29,35)(H,30,36)", + "name": "Coumermic acid", + "names": [ + "Coumermic acid" + ] + }, + { + "compound_id": "C12480", + "inchi": "InChI=1S/C43H49N3O18/c1-15-20(36(53)45-24-26(47)18-10-12-21(16(2)32(18)61-38(24)55)59-40-30(51)28(49)34(57-8)42(4,5)63-40)14-44-23(15)37(54)46-25-27(48)19-11-13-22(17(3)33(19)62-39(25)56)60-41-31(52)29(50)35(58-9)43(6,7)64-41/h10-14,28-31,34-35,40-41,44,47-52H,1-9H3,(H,45,53)(H,46,54)/t28-,29-,30+,31+,34+,35+,40+,41+/m0/s1", + "name": "Coumermycin D", + "names": [ + "Coumermycin D" + ] + }, + { + "compound_id": "C12481", + "inchi": "InChI=1S/C17H28N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-13,15,20-23H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/t8-,9+,10+,11-,12+,13+,15+/m0/s1", + "name": "dTDP-5-dimethyl-L-lyxose", + "names": [ + "dTDP-5-dimethyl-L-lyxose" + ] + }, + { + "compound_id": "C12482", + "inchi": null, + "name": "2-Pyrroline-2-carboxyl-[pcp]", + "names": [ + "2-Pyrroline-2-carboxyl-[pcp]" + ] + }, + { + "compound_id": "C12483", + "inchi": null, + "name": "Pyrrole-2-carboxyl-[pcp]", + "names": [ + "Pyrrole-2-carboxyl-[pcp]" + ] + }, + { + "compound_id": "C12484", + "inchi": null, + "name": "5-Methyl-pyrrole-2-carboxyl-[pcp]", + "names": [ + "5-Methyl-pyrrole-2-carboxyl-[pcp]" + ] + }, + { + "compound_id": "C12486", + "inchi": "InChI=1S/BH3O3/c2-1(3)4/h2-4H", + "name": "Boric acid", + "names": [ + "Boric acid" + ] + }, + { + "compound_id": "C12490", + "inchi": "InChI=1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H", + "name": "Butenafine hydrochloride", + "names": [ + "Butenafine hydrochloride" + ] + }, + { + "compound_id": "C12491", + "inchi": "InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H", + "name": "Pyrrolnitrin", + "names": [ + "Pyrrolnitrin" + ] + }, + { + "compound_id": "C12505", + "inchi": "InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2", + "name": "Magnesium sulfate", + "names": [ + "Magnesium sulfate", + "Magnesium sulfate heptahydrate" + ] + }, + { + "compound_id": "C12508", + "inchi": "InChI=1S/C19H27NO3/c1-13(2)15-9-6-10-16(12-15)18(21)20-17(19(22)23)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17+/m0/s1", + "name": "Nateglinide", + "names": [ + "Nateglinide" + ] + }, + { + "compound_id": "C12512", + "inchi": "InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1", + "name": "Eplerenone", + "names": [ + "Eplerenone" + ] + }, + { + "compound_id": "C12518", + "inchi": "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2", + "name": "Glutaral", + "names": [ + "1,5-Pentanedial", + "Glutaral", + "Glutaraldehyde" + ] + }, + { + "compound_id": "C12525", + "inchi": "InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "5alpha-Androstan-3beta,17beta-diol", + "names": [ + "5alpha-Androstan-3beta,17beta-diol" + ] + }, + { + "compound_id": "C12531", + "inchi": "InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3", + "name": "Tazarotene", + "names": [ + "Tazarotene" + ] + }, + { + "compound_id": "C12535", + "inchi": "InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7?", + "name": "Tranexamic acid", + "names": [ + "Tranexamic acid" + ] + }, + { + "compound_id": "C12537", + "inchi": "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2", + "name": "Benzyl benzoate", + "names": [ + "Benzyl benzoate" + ] + }, + { + "compound_id": "C12538", + "inchi": "InChI=1S/ClH.H3N/h1H;1H3", + "name": "Ammonium chloride", + "names": [ + "Ammonium chloride" + ] + }, + { + "compound_id": "C12539", + "inchi": "InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1", + "name": "Benzethonium chloride", + "names": [ + "Benzethonium chloride" + ] + }, + { + "compound_id": "C12540", + "inchi": "InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)", + "name": "Sulfamonomethoxine", + "names": [ + "Sulfamonomethoxine" + ] + }, + { + "compound_id": "C12552", + "inchi": "InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3", + "name": "Oxethazaine", + "names": [ + "Oxetacaine", + "Oxethazaine" + ] + }, + { + "compound_id": "C12554", + "inchi": "InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1", + "name": "Potassium acetate", + "names": [ + "Potassium acetate" + ] + }, + { + "compound_id": "C12557", + "inchi": "InChI=1S/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1", + "name": "Cefepime hydrochloride", + "names": [ + "Cefepime dihydrochloride", + "Cefepime hydrochloride" + ] + }, + { + "compound_id": "C12560", + "inchi": "InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1", + "name": "Saquinavir mesylate", + "names": [ + "Saquinavir mesilate", + "Saquinavir mesylate" + ] + }, + { + "compound_id": "C12564", + "inchi": "InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)", + "name": "Aripiprazole", + "names": [ + "Aripiprazole" + ] + }, + { + "compound_id": "C12567", + "inchi": "InChI=1S/Mg.O/q+2;-2", + "name": "Magnesium oxide", + "names": [ + "Magnesium oxide" + ] + }, + { + "compound_id": "C12568", + "inchi": "InChI=1S/K.H2O/h;1H2/q+1;/p-1", + "name": "Potassium hydroxide", + "names": [ + "Potassium hydroxide" + ] + }, + { + "compound_id": "C12569", + "inchi": "InChI=1S/Na.H2O/h;1H2/q+1;/p-1", + "name": "Sodium hydroxide", + "names": [ + "Sodium hydroxide" + ] + }, + { + "compound_id": "C12570", + "inchi": "InChI=1S/O.Zn/q-2;+2", + "name": "Zinc oxide", + "names": [ + "Zinc oxide" + ] + }, + { + "compound_id": "C12574", + "inchi": "InChI=1S/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-", + "name": "Pheniramine maleate", + "names": [ + "Pheniramine maleate" + ] + }, + { + "compound_id": "C12580", + "inchi": "InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1", + "name": "Trilostane", + "names": [ + "Trilostane" + ] + }, + { + "compound_id": "C12590", + "inchi": "InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)", + "name": "Pheneturide", + "names": [ + "Ethylphenacemide", + "Pheneturide" + ] + }, + { + "compound_id": "C12599", + "inchi": "InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1", + "name": "Emtricitabine", + "names": [ + "Emtricitabine" + ] + }, + { + "compound_id": "C12600", + "inchi": "InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H", + "name": "Phenolsulfonphthalein", + "names": [ + "Phenol red", + "Phenolsulfonphthalein" + ] + }, + { + "compound_id": "C12603", + "inchi": "InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1", + "name": "Sodium bicarbonate", + "names": [ + "Sodium bicarbonate", + "Sodium hydrogencarbonate" + ] + }, + { + "compound_id": "C12609", + "inchi": "InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1", + "name": "Novobiocin sodium", + "names": [ + "Novobiocin sodium" + ] + }, + { + "compound_id": "C12616", + "inchi": "InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)", + "name": "Sulfamethopyrazine", + "names": [ + "Sulfalene", + "Sulfamethopyrazine" + ] + }, + { + "compound_id": "C12621", + "inchi": "InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+", + "name": "trans-3-Hydroxycinnamate", + "names": [ + "(2E)-3-(3-Hydroxyphenyl)prop-2-enoate", + "trans-3-Hydroxycinnamate" + ] + }, + { + "compound_id": "C12622", + "inchi": "InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,7,9-10,13H,(H,11,12)/b5-4+/t7-,9+/m0/s1", + "name": "cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol", + "names": [ + "(2E)-3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)prop-2-enoate", + "cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol" + ] + }, + { + "compound_id": "C12623", + "inchi": "InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+", + "name": "trans-2,3-Dihydroxycinnamate", + "names": [ + "(2E)-3-(2,3-Dihydroxyphenyl)prop-2-enoate", + "trans-2,3-Dihydroxycinnamate" + ] + }, + { + "compound_id": "C12624", + "inchi": "InChI=1S/C9H8O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-5,11H,(H,12,13)(H,14,15)/b2-1+,5-4+,7-3-", + "name": "2-Hydroxy-6-ketononatrienedioate", + "names": [ + "2-Hydroxy-6-ketononatrienedioate" + ] + }, + { + "compound_id": "C12625", + "inchi": "InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1", + "name": "Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)", + "names": [ + "Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)", + "Biochanin A 7-O-beta-D-glucoside 6''-O-malonate" + ] + }, + { + "compound_id": "C12626", + "inchi": "InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1", + "name": "Kaempferol-3-O-galactoside", + "names": [ + "Kaempferol 3-O-beta-D-galactoside", + "Kaempferol-3-O-galactoside", + "Trifolin" + ] + }, + { + "compound_id": "C12627", + "inchi": "InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", + "name": "Apigenin 7-O-neohesperidoside", + "names": [ + "Apigenin 7-O-neohesperidoside", + "Rhoifolin", + "Rhoifoloside" + ] + }, + { + "compound_id": "C12628", + "inchi": "InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26?,27?/m0/s1", + "name": "Vitexin 2''-O-beta-L-rhamnoside", + "names": [ + "2''-O-Rhamnosylvitexin", + "Vitexin 2''-O-beta-L-rhamnoside", + "Vitexin 2''-rhamnoside" + ] + }, + { + "compound_id": "C12629", + "inchi": "InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27?,28?/m0/s1", + "name": "Isoswertisin 2''-rhamnoside", + "names": [ + "2''-O-Rhamnosylisoswertisin", + "7-O-Methylvitexin 2''-O-beta-L-rhamnoside", + "Isoswertisin 2''-rhamnoside" + ] + }, + { + "compound_id": "C12630", + "inchi": "InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", + "name": "Scolymoside", + "names": [ + "Luteolin 7-O-neohesperidoside", + "Scolymoside", + "Veronicastroside" + ] + }, + { + "compound_id": "C12631", + "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)12-14(19)13-10(18)5-9(17)6-11(13)21-15(12)20/h1-6,12,15-18,20H", + "name": "2-Hydroxy-2,3-dihydrogenistein", + "names": [ + "2-Hydroxy-2,3-dihydrogenistein" + ] + }, + { + "compound_id": "C12632", + "inchi": "InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23?,26?,27+/m0/s1", + "name": "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]", + "names": [ + "Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]", + "Luteolin 7-O-beta-D-diglucuronide" + ] + }, + { + "compound_id": "C12633", + "inchi": "InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3", + "name": "Laricitrin", + "names": [ + "3'-O-Methylmyricetin", + "Laricitrin" + ] + }, + { + "compound_id": "C12634", + "inchi": "InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,25?,26?,27+/m1/s1", + "name": "Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "names": [ + "Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "Kaempferol 3-O-beta-D-sophoroside", + "Sophoraflavonoloside" + ] + }, + { + "compound_id": "C12635", + "inchi": "InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29?,30?,31?,32+,33?/m1/s1", + "name": "Kaempferol 3-sophorotrioside", + "names": [ + "Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "Kaempferol 3-sophorotrioside" + ] + }, + { + "compound_id": "C12636", + "inchi": "InChI=1S/C42H46O23/c43-13-23-29(51)34(56)39(41(60-23)63-37-31(53)27-21(48)11-20(47)12-22(27)59-36(37)17-4-8-19(46)9-5-17)65-42-38(33(55)28(50)24(14-44)61-42)64-40-35(57)32(54)30(52)25(62-40)15-58-26(49)10-3-16-1-6-18(45)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38?,39?,40?,41+,42?/m1/s1", + "name": "Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]", + "names": [ + "Kaempferol 3-O-[6-(4-coumaroyl)-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside]" + ] + }, + { + "compound_id": "C12637", + "inchi": "InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24?,25?,26+/m1/s1", + "name": "Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]", + "names": [ + "Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]" + ] + }, + { + "compound_id": "C12638", + "inchi": "InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1", + "name": "Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)", + "names": [ + "Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)", + "Quercetin 3-O-malonylglucoside", + "Quercetin-3-O-(6''-malonylglucoside)" + ] + }, + { + "compound_id": "C12639", + "inchi": "InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1", + "name": "Quercimeritrin", + "names": [ + "Quercetin 7-O-beta-D-glucoside", + "Quercimeritrin" + ] + }, + { + "compound_id": "C12640", + "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside", + "names": [ + "Bisdemalonylsalvianin", + "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C12641", + "inchi": "InChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)31(48)26(60-39)14-54-29(46)8-2-16-1-7-21(42)22(43)9-16)12-20-23(56-37)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1", + "name": "4'''-Demalonylsalvianin", + "names": [ + "4'''-Demalonylsalvianin", + "Monodemalonylsalvianin" + ] + }, + { + "compound_id": "C12642", + "inchi": "InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21+,22-,24-/m1/s1", + "name": "Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)", + "names": [ + "Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C12643", + "inchi": "InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1", + "name": "Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)", + "names": [ + "Cyanidin 3-O-(6'-O-malonylglucoside)", + "Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)", + "Cyanidin-3-(6'-malonylglucoside)" + ] + }, + { + "compound_id": "C12644", + "inchi": "InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1", + "name": "Pelargonidin 3-O-rutinoside", + "names": [ + "Pelargonidin 3-O-rutinoside" + ] + }, + { + "compound_id": "C12645", + "inchi": "InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1", + "name": "Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside", + "names": [ + "Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside", + "Pelargonidin 3-rutinoside-5-glucopyranoside" + ] + }, + { + "compound_id": "C12646", + "inchi": "InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1", + "name": "Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside", + "names": [ + "Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C12647", + "inchi": "InChI=1S/C42H40O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)35(55)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49)50)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1", + "name": "Salvianin", + "names": [ + "Salvianin" + ] + }, + { + "compound_id": "C12649", + "inchi": "InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2", + "name": "Citric acid monohydrate", + "names": [ + "Citric acid monohydrate" + ] + }, + { + "compound_id": "C12650", + "inchi": "InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1", + "name": "Capecitabine", + "names": [ + "(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester", + "Capecitabine" + ] + }, + { + "compound_id": "C12656", + "inchi": "InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1", + "name": "Paramethasone acetate", + "names": [ + "Paramethasone acetate" + ] + }, + { + "compound_id": "C12661", + "inchi": "InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)", + "name": "Pantethine", + "names": [ + "Pantethine" + ] + }, + { + "compound_id": "C12662", + "inchi": "InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34?,35-,36-,37-,38?,39+,40+,41?,42-/m1/s1", + "name": "Leucomycin A3", + "names": [ + "Josamycin", + "Leucomycin A3" + ] + }, + { + "compound_id": "C12666", + "inchi": "InChI=1S/C25H32O8.Na/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30);/q;-1/p-1/t16-,17-,18-,22+,23-,24-,25-;/m0./s1", + "name": "Prednisolone sodium succinate", + "names": [ + "Prednisolone sodium succinate" + ] + }, + { + "compound_id": "C12667", + "inchi": "InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25?,26?,27+/m1/s1", + "name": "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "names": [ + "Baimaside", + "QUOSP", + "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "Quercetin 3-O-sophoroside", + "Quercetin 3-beta-D-sophoroside" + ] + }, + { + "compound_id": "C12668", + "inchi": "InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29?,30?,31?,32+,33?/m1/s1", + "name": "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "names": [ + "Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "Quercetin 3-sophorotrioside" + ] + }, + { + "compound_id": "C12673", + "inchi": "InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)", + "name": "Tegafur", + "names": [ + "Tegafur" + ] + }, + { + "compound_id": "C12675", + "inchi": "InChI=1S/C14H14ClN3O4S2/c15-10-7-11-13(8-12(10)23(16,19)20)24(21,22)18-14(17-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,17-18H,6H2,(H2,16,19,20)", + "name": "Benzylhydrochlorothiazide", + "names": [ + "Benzylhydrochlorothiazide" + ] + }, + { + "compound_id": "C12677", + "inchi": "InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)", + "name": "Acrinol", + "names": [ + "Acrinol", + "Ethacridine lactate" + ] + }, + { + "compound_id": "C12679", + "inchi": "InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1", + "name": "Berberine chloride", + "names": [ + "Berberine chloride" + ] + }, + { + "compound_id": "C12685", + "inchi": "InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)", + "name": "Cyclothiazide", + "names": [ + "Cyclothiazide" + ] + }, + { + "compound_id": "C12691", + "inchi": "InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1", + "name": "Cefacetrile sodium", + "names": [ + "Cefacetrile sodium", + "Cephacetrile sodium" + ] + }, + { + "compound_id": "C12695", + "inchi": "InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1", + "name": "Difluprednate", + "names": [ + "Difluprednate" + ] + }, + { + "compound_id": "C12712", + "inchi": "InChI=1S/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1", + "name": "Carindacillin sodium", + "names": [ + "Carbenicillin indanyl sodium", + "Carindacillin sodium" + ] + }, + { + "compound_id": "C12717", + "inchi": "InChI=1S/C20H21NO3.ClH/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14;/h5-11H,12H2,1-4H3;1H", + "name": "Dimefline hydrochloride", + "names": [ + "Dimefline hydrochloride" + ] + }, + { + "compound_id": "C12724", + "inchi": "InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1", + "name": "Ethynodiol diacetate", + "names": [ + "Ethynodiol diacetate" + ] + }, + { + "compound_id": "C12729", + "inchi": "InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1", + "name": "Chlormadinone acetate", + "names": [ + "Chlormadinone acetate" + ] + }, + { + "compound_id": "C12739", + "inchi": "InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1", + "name": "5'-Deoxy-5-fluorouridine", + "names": [ + "5'-Deoxy-5-fluorouridine", + "Doxifluridine" + ] + }, + { + "compound_id": "C12750", + "inchi": "InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+", + "name": "Bisibuthiamine", + "names": [ + "Bisibuthiamine", + "Sulbutiamine" + ] + }, + { + "compound_id": "C12753", + "inchi": "InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33?,34?,35-,36-,37+,40?,41+/m0/s1", + "name": "Troleandomycin", + "names": [ + "Triacetyloleandomycin", + "Troleandomycin" + ] + }, + { + "compound_id": "C12755", + "inchi": "InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2", + "name": "Mequitazine", + "names": [ + "Mequitazine" + ] + }, + { + "compound_id": "C12766", + "inchi": "InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1", + "name": "Cyclacillin", + "names": [ + "Ciclacillin", + "Cyclacillin" + ] + }, + { + "compound_id": "C12767", + "inchi": "InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2", + "name": "Dibenzthion", + "names": [ + "Dibenzthion", + "Sulbentine" + ] + }, + { + "compound_id": "C12768", + "inchi": "InChI=1S/C17H22NOS2.BrH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1", + "name": "Timepidium bromide", + "names": [ + "Timepidium bromide", + "Timepidium bromide anhydrous" + ] + }, + { + "compound_id": "C12786", + "inchi": "InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1", + "name": "Dinoprost tromethamine", + "names": [ + "Dinoprost tromethamine" + ] + }, + { + "compound_id": "C12796", + "inchi": "InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1", + "name": "Erythromycin ethylsuccinate", + "names": [ + "Erythromycin ethylsuccinate" + ] + }, + { + "compound_id": "C12798", + "inchi": "InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H", + "name": "Tulobuterol hydrochloride", + "names": [ + "Tulobuterol hydrochloride" + ] + }, + { + "compound_id": "C12811", + "inchi": "InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1", + "name": "Allylestrenol", + "names": [ + "Allylestrenol" + ] + }, + { + "compound_id": "C12814", + "inchi": "InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1", + "name": "Prifinium bromide", + "names": [ + "Prifinium bromide" + ] + }, + { + "compound_id": "C12816", + "inchi": "InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1", + "name": "Proscillaridin", + "names": [ + "Proscillaridin" + ] + }, + { + "compound_id": "C12819", + "inchi": "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1", + "name": "Kainic acid", + "names": [ + "Kainic acid", + "alpha- Kainic acid" + ] + }, + { + "compound_id": "C12829", + "inchi": "InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)", + "name": "Bromisovalum", + "names": [ + "Bromisovalum", + "Bromovalerylurea" + ] + }, + { + "compound_id": "C12831", + "inchi": "InChI=1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H", + "name": "3,4,6-Trichlorocatechol", + "names": [ + "3,4,6-Trichlorocatechol" + ] + }, + { + "compound_id": "C12832", + "inchi": "InChI=1S/C6H5Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,5-6,10-11H/t5-,6+/m1/s1", + "name": "3,4,6-Trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene", + "names": [ + "3,4,6-Trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene" + ] + }, + { + "compound_id": "C12833", + "inchi": "InChI=1S/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/b3-1+,4-2-", + "name": "2,3,5-Trichloro-cis,cis-muconate", + "names": [ + "2,3,5-Trichloro-cis,cis-muconate" + ] + }, + { + "compound_id": "C12834", + "inchi": "InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)/b4-3+", + "name": "2,5-Dichloro-carboxymethylenebut-2-en-4-olide", + "names": [ + "2,5-Dichloro-carboxymethylenebut-2-en-4-olide" + ] + }, + { + "compound_id": "C12835", + "inchi": "InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+", + "name": "2,5-Dichloro-4-oxohex-2-enedioate", + "names": [ + "2,5-Dichloro-4-oxohex-2-enedioate" + ] + }, + { + "compound_id": "C12836", + "inchi": "InChI=1S/C6H7ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2H2,(H,9,10)(H,11,12)", + "name": "2-Chloro-3-oxoadipate", + "names": [ + "2-Chloro-3-oxoadipate" + ] + }, + { + "compound_id": "C12837", + "inchi": "InChI=1S/C6H7ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m1/s1", + "name": "3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene", + "names": [ + "3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene" + ] + }, + { + "compound_id": "C12838", + "inchi": "InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)/b4-3-", + "name": "trans-4-Carboxymethylenebut-2-en-4-olide", + "names": [ + "trans-4-Carboxymethylenebut-2-en-4-olide" + ] + }, + { + "compound_id": "C12839", + "inchi": "InChI=1S/C4H10N2.H3O4P.H2O/c1-2-6-4-3-5-1;1-5(2,3)4;/h5-6H,1-4H2;(H3,1,2,3,4);1H2", + "name": "Piperazine phosphate", + "names": [ + "Piperazine phosphate" + ] + }, + { + "compound_id": "C12842", + "inchi": "InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)", + "name": "Pyricarbate", + "names": [ + "Pyricarbate", + "Pyridinol carbamate" + ] + }, + { + "compound_id": "C12849", + "inchi": "InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)", + "name": "p-Phenolsulfonic acid", + "names": [ + "4-Sulfophenol", + "Phenolsulfonic acid", + "p-Hydroxybenzenesulfonic acid", + "p-Phenolsulfonic acid" + ] + }, + { + "compound_id": "C12853", + "inchi": "InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1", + "name": "Thiamphenicol", + "names": [ + "Thiamphenicol" + ] + }, + { + "compound_id": "C12859", + "inchi": "InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1", + "name": "Estradiol valerate", + "names": [ + "Estradiol valerate" + ] + }, + { + "compound_id": "C12862", + "inchi": "InChI=1/C2H3O3.2N.Pt/c3-1-2(4)5;;;/h1H2,(H,4,5);;;/q-1;;;+2/p-1/fC2H2O3.2N.Pt/q-2;;;m", + "name": "Nedaplatin", + "names": [ + "Nedaplatin" + ] + }, + { + "compound_id": "C12864", + "inchi": "InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)", + "name": "Tamibarotene", + "names": [ + "Am 80", + "Tamibarotene" + ] + }, + { + "compound_id": "C12865", + "inchi": "InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2", + "name": "Benzyl nicotinate", + "names": [ + "Benzyl nicotinate", + "Nicotinic acid benzyl ester" + ] + }, + { + "compound_id": "C12869", + "inchi": "InChI=1S/C16H25NO4S/c1-4-20-11-14(18)12-21-15-7-5-13(6-8-15)17-16(19)9-10-22(2)3/h5-8,14,18H,4,9-12H2,1-3H3/p+1", + "name": "Suplatast", + "names": [ + "Suplatast" + ] + }, + { + "compound_id": "C12871", + "inchi": "InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1", + "name": "Lopinavir", + "names": [ + "Lopinavir" + ] + }, + { + "compound_id": "C12876", + "inchi": "InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)", + "name": "Tiopronin", + "names": [ + "Tiopronin" + ] + }, + { + "compound_id": "C12886", + "inchi": "InChI=1S/C21H27NO2.ClH/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18;/h5-13H,3-4,14-17H2,1-2H3;1H", + "name": "Dialicor", + "names": [ + "Dialicor", + "Etafenone hydrochloride" + ] + }, + { + "compound_id": "C12888", + "inchi": "InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1", + "name": "Hydrocortisone succinate", + "names": [ + "11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(hydrogensuccinate)", + "Cortisol succinate", + "Hydrocortisone succinate" + ] + }, + { + "compound_id": "C12889", + "inchi": "InChI=1S/C10H21NO2/c1-2-3-4-5-6-7-8-9-10(12)11-13/h13H,2-9H2,1H3,(H,11,12)", + "name": "n-Decanohydroxamic acid", + "names": [ + "Decanohydroxamic acid", + "n-Decanohydroxamic acid" + ] + }, + { + "compound_id": "C12891", + "inchi": "InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33?,34-,36?,37?,38-,39-,40-,41?,42+,43+,44?,45-/m1/s1", + "name": "Acetylspiramycin", + "names": [ + "Acetylspiramycin", + "Spiramycin II" + ] + }, + { + "compound_id": "C12893", + "inchi": "InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2", + "name": "Magnesium carbonate", + "names": [ + "Magnesium carbonate", + "Magnesium carbonate anhydrous" + ] + }, + { + "compound_id": "C12896", + "inchi": "InChI=1S/C28H38N4O.C4H4O4/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;5-3(6)1-2-4(7)8/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);1-2H,(H,5,6)(H,7,8)/b;2-1-", + "name": "Carpipramine maleate", + "names": [ + "Carpipramine maleate" + ] + }, + { + "compound_id": "C12905", + "inchi": "InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1", + "name": "Variotin", + "names": [ + "Pecilocin", + "Variotin" + ] + }, + { + "compound_id": "C12915", + "inchi": "InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1", + "name": "Nemonapride", + "names": [ + "Nemonapride" + ] + }, + { + "compound_id": "C12919", + "inchi": "InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1", + "name": "1-alpha,24(R)-Dihydroxyvitamin D3", + "names": [ + "1-alpha,24(R)-Dihydroxyvitamin D3", + "Tacalcitol" + ] + }, + { + "compound_id": "C12933", + "inchi": "InChI=1S/2C27H33N3O8.2HNO3.3H2O/c2*1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30;2*2-1(3)4;;;/h2*6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36);2*(H,2,3,4);3*1H2/t2*14-,15-,20-,26+,27-;;;;;/m00...../s1", + "name": "Rolitetracycline nitrate", + "names": [ + "Rolitetracycline nitrate" + ] + }, + { + "compound_id": "C12935", + "inchi": "InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2", + "name": "Calcium glycerophosphate", + "names": [ + "Calcium beta-glycerophosphate", + "Calcium glycerophosphate" + ] + }, + { + "compound_id": "C12937", + "inchi": "InChI=1S/C28H37ClN4O.2ClH/c29-24-11-12-26-23(21-24)10-9-22-7-2-3-8-25(22)33(26)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H", + "name": "Clocapramine dihydrochloride", + "names": [ + "Clocapramine dihydrochloride" + ] + }, + { + "compound_id": "C12942", + "inchi": null, + "name": "Paraformaldehyde", + "names": [ + "Paraformaldehyde" + ] + }, + { + "compound_id": "C12946", + "inchi": "InChI=1S/C16H29NO5/c1-4-6-7-13(5-2)11-17-14(18)10-12(3)22-16(21)9-8-15(19)20/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)", + "name": "Butoctamide hydrogen succinate", + "names": [ + "Butoctamide hydrogen succinate", + "Butoctamide semisuccinate" + ] + }, + { + "compound_id": "C12948", + "inchi": "InChI=1S/C21H27NO3S2.ClH/c1-20(2)9-8-14-12-15(13-16(20)22(14)3)25-19(23)21(24,17-6-4-10-26-17)18-7-5-11-27-18;/h4-7,10-11,14-16,24H,8-9,12-13H2,1-3H3;1H", + "name": "Mazaticol hydrochloride", + "names": [ + "KAO 264", + "Mazaticol hydrochloride" + ] + }, + { + "compound_id": "C12954", + "inchi": "InChI=1S/C31H44N2O10.2ClH/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4;;/h18-21H,7-17H2,1-6H3;2*1H", + "name": "Dilazep dihydrochloride", + "names": [ + "Dilazep dihydrochloride" + ] + }, + { + "compound_id": "C12958", + "inchi": "InChI=1S/C12H16N2O2/c1-10(15)14(9-12(16)13(2)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3", + "name": "Phenylacetylglycine dimethylamide", + "names": [ + "Phenylacetylglycine dimethylamide", + "Ralgin" + ] + }, + { + "compound_id": "C12959", + "inchi": "InChI=1S/C20H26N2.C4H6O6/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20;5-1(3(7)8)2(6)4(9)10/h5-8,10-13H,9,14-15H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1", + "name": "Dimetacrine tartrate", + "names": [ + "Dimetacrine bitartrate", + "Dimetacrine tartrate" + ] + }, + { + "compound_id": "C12961", + "inchi": "InChI=1S/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1/t16-,21+,22+,23+,26+,27+,28+,29+;/m1./s1", + "name": "Dexamethazone metasulfobenzoate sodium", + "names": [ + "Dexamethasone metasulfobenzoate sodium", + "Dexamethazone metasulfobenzoate sodium" + ] + }, + { + "compound_id": "C12962", + "inchi": "InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3", + "name": "Cyphenothrin", + "names": [ + "Cyphenothrin" + ] + }, + { + "compound_id": "C12967", + "inchi": "InChI=1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1", + "name": "Tocoretinate", + "names": [ + "Tocoretinate", + "Tretinoin tocoferil" + ] + }, + { + "compound_id": "C12978", + "inchi": "InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Epidihydrocholesterin", + "names": [ + "Epicholestanol", + "Epidihydrocholesterin" + ] + }, + { + "compound_id": "C12979", + "inchi": "InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1", + "name": "Cefroxadine", + "names": [ + "Cefroxadine" + ] + }, + { + "compound_id": "C12981", + "inchi": "InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1", + "name": "dl-alpha-Tocopherol nicotinate", + "names": [ + "Tocopheryl nicotinate", + "dl-alpha-Tocopherol nicotinate" + ] + }, + { + "compound_id": "C12986", + "inchi": "InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1", + "name": "N2-Acetyl-L-aminoadipate", + "names": [ + "N2-Acetyl-L-aminoadipate" + ] + }, + { + "compound_id": "C12987", + "inchi": "InChI=1S/C8H14NO8P/c1-5(10)9-6(8(12)13)3-2-4-7(11)17-18(14,15)16/h6H,2-4H2,1H3,(H,9,10)(H,12,13)(H2,14,15,16)/t6-/m0/s1", + "name": "N2-Acetyl-L-aminoadipyl-delta-phosphate", + "names": [ + "N2-Acetyl-L-aminoadipyl-delta-phosphate" + ] + }, + { + "compound_id": "C12988", + "inchi": "InChI=1S/C8H13NO4/c1-6(11)9-7(8(12)13)4-2-3-5-10/h5,7H,2-4H2,1H3,(H,9,11)(H,12,13)/t7-/m0/s1", + "name": "N2-Acetyl-L-aminoadipate semialdehyde", + "names": [ + "N2-Acetyl-L-aminoadipate semialdehyde" + ] + }, + { + "compound_id": "C12989", + "inchi": "InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1/f/h10,12H", + "name": "N2-Acetyl-L-lysine", + "names": [ + "N2-Acetyl-L-lysine" + ] + }, + { + "compound_id": "C12995", + "inchi": "InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3", + "name": "Laureth 4", + "names": [ + "Laureth 4", + "Laureth 9", + "Lauromacrogol 400" + ] + }, + { + "compound_id": "C13008", + "inchi": "InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3", + "name": "Edaravone", + "names": [ + "Edaravone" + ] + }, + { + "compound_id": "C13014", + "inchi": "InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)", + "name": "1-Naphthylacetic acid", + "names": [ + "1-Naphthylacetic acid", + "NAA" + ] + }, + { + "compound_id": "C13016", + "inchi": "InChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1", + "name": "Carumonam sodium", + "names": [ + "Carumonam sodium" + ] + }, + { + "compound_id": "C13024", + "inchi": "InChI=1S/C28H26N6O10S2.Na/c35-23(18-12-29-22(30-18)28(40)41)31-19(16-4-2-1-3-5-16)24(36)32-20-25(37)34-21(27(38)39)17(14-45-26(20)34)13-33-9-6-15(7-10-33)8-11-46(42,43)44;/h1-7,9-10,12,19-20,26H,8,11,13-14H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44);/q;+1/p-1/t19-,20-,26-;/m1./s1", + "name": "Cefpimizole sodium", + "names": [ + "Cefpimizole sodium" + ] + }, + { + "compound_id": "C13031", + "inchi": "InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1", + "name": "Estramustine phosphate sodium", + "names": [ + "Estramustine phosphate sodium" + ] + }, + { + "compound_id": "C13034", + "inchi": "InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2", + "name": "Bronopol", + "names": [ + "Bronopol" + ] + }, + { + "compound_id": "C13037", + "inchi": "InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1", + "name": "Lynestrenol", + "names": [ + "Lynestrenol" + ] + }, + { + "compound_id": "C13038", + "inchi": "InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)", + "name": "Flufenamic acid", + "names": [ + "FFA", + "Flufenamic acid" + ] + }, + { + "compound_id": "C13044", + "inchi": "InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3", + "name": "Tricaprilin", + "names": [ + "1,2,3-Trioctanoyl glycerol", + "1,2,3-trioctanoyl glycerol", + "Tricaprilin", + "Trioctanoylglycerol" + ] + }, + { + "compound_id": "C13048", + "inchi": "InChI=1S/C10H14NO5P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3", + "name": "p-Nitrophenyl-O-ethyl ethylphosphonate", + "names": [ + "Ethyl 4-nitrophenyl ethylphosphonate", + "p-Nitrophenyl-O-ethyl ethylphosphonate" + ] + }, + { + "compound_id": "C13050", + "inchi": "InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1", + "name": "Cyclic ADP-ribose", + "names": [ + "Cyclic ADP-ribose", + "cADPR" + ] + }, + { + "compound_id": "C13051", + "inchi": "InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1", + "name": "Nicotinic acid adenine dinucleotide phosphate", + "names": [ + "NAADP", + "Nicotinic acid adenine dinucleotide phosphate" + ] + }, + { + "compound_id": "C13055", + "inchi": "InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);1H/t12-,13-,14+,17+,21-,22+;/m1./s1", + "name": "Oxytetracycline hydrochloride", + "names": [ + "OTC", + "Oxytetracycline hydrochloride" + ] + }, + { + "compound_id": "C13058", + "inchi": "InChI=1S/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1", + "name": "Calcium L-aspartate", + "names": [ + "Calcium L-aspartate" + ] + }, + { + "compound_id": "C13061", + "inchi": "InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)", + "name": "Acetylsulfamethoxazole", + "names": [ + "Acetylsulfamethoxazole" + ] + }, + { + "compound_id": "C13072", + "inchi": "InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2", + "name": "Sodium picosulfate", + "names": [ + "Sodium picosulfate" + ] + }, + { + "compound_id": "C13074", + "inchi": null, + "name": "Acetylkitasamycin", + "names": [ + "Acetylkitasamycin" + ] + }, + { + "compound_id": "C13077", + "inchi": "InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1", + "name": "Estradiol dipropionate", + "names": [ + "Estradiol dipropionate" + ] + }, + { + "compound_id": "C13085", + "inchi": "InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1/t2-,3+,4-,5-;/m0./s1", + "name": "Sodium glucuronate", + "names": [ + "Sodium glucuronate" + ] + }, + { + "compound_id": "C13086", + "inchi": "InChI=1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)", + "name": "Propagermanium", + "names": [ + "Propagermanium", + "Proxigermanium" + ] + }, + { + "compound_id": "C13089", + "inchi": "InChI=1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11-;/t12-,16-;/m1./s1", + "name": "Cefetamet pivoxil hydrochloride", + "names": [ + "Cefetamet pivoxil hydrochloride" + ] + }, + { + "compound_id": "C13101", + "inchi": "InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3", + "name": "Hexestrol", + "names": [ + "Exestrol", + "Hexestrol" + ] + }, + { + "compound_id": "C13102", + "inchi": "InChI=1S/Bi.H2NO3.2NO3/c;3*2-1(3)4/h;1-2H;;/q+3;3*-1", + "name": "Bismuth subnitrate", + "names": [ + "Bismuth hydroxide nitrate oxide", + "Bismuth subnitrate" + ] + }, + { + "compound_id": "C13103", + "inchi": "InChI=1S/C35H59NO13/c1-19-16-23(14-15-37)31(32(44-8)25(39)17-26(40)45-20(2)12-10-9-11-13-24(19)38)49-34-29(41)28(36(6)7)30(21(3)47-34)48-27-18-35(5,43)33(42)22(4)46-27/h9-11,13,15,19-25,27-34,38-39,41-43H,12,14,16-18H2,1-8H3/b10-9+,13-11+/t19-,20-,21-,22+,23+,24+,25-,27?,28-,29-,30-,31?,32+,33+,34?,35-/m1/s1", + "name": "Leucomycin V", + "names": [ + "Leucomycin V" + ] + }, + { + "compound_id": "C13104", + "inchi": "InChI=1S/2C7H7NO3.Al.Ca.2H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;;2*1H2/q;;+3;+2;;/p-5", + "name": "Aluminoparaaminosalicylate calcium", + "names": [ + "Alumino-p-aminosalicylic acid calcium salt", + "Aluminoparaaminosalicylate calcium" + ] + }, + { + "compound_id": "C13106", + "inchi": "InChI=1S/C16H29N5O8.Gd.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;1H2/q;+3;/p-3", + "name": "Gadodiamide hydrate", + "names": [ + "Gadodiamide", + "Gadodiamide hydrate" + ] + }, + { + "compound_id": "C13109", + "inchi": "InChI=1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16?,17-;/m1./s1", + "name": "Hyoscyamine methylbromide", + "names": [ + "Atropine methobromide", + "Atropine methylbromide", + "Hyoscyamine methylbromide" + ] + }, + { + "compound_id": "C13110", + "inchi": "InChI=1S/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1/t11?,12-,13+,16-;/m1./s1", + "name": "Propicillin potassium", + "names": [ + "Brocillin", + "Propicillin potassium" + ] + }, + { + "compound_id": "C13112", + "inchi": "InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m1./s1", + "name": "Ancitabin hydrochloride", + "names": [ + "Ancitabin hydrochloride", + "Cyclocytidine" + ] + }, + { + "compound_id": "C13127", + "inchi": "InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)", + "name": "Bropirimine", + "names": [ + "Bropirimine" + ] + }, + { + "compound_id": "C13129", + "inchi": "InChI=1S/C25H30N4O9S2.C7H8O3S/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)/t14-,15-,16-,17+,18+,21-;/m1./s1", + "name": "Sultamicillin tosilate", + "names": [ + "Sultamicillin tosilate", + "Sultamicillin tosylate" + ] + }, + { + "compound_id": "C13138", + "inchi": "InChI=1S/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3", + "name": "beta-Butoxyethyl nicotinate", + "names": [ + "Nicoboxil", + "beta-Butoxyethyl nicotinate" + ] + }, + { + "compound_id": "C13140", + "inchi": "InChI=1S/Ca.O/q+2;-2", + "name": "Calcium oxide", + "names": [ + "Calcium oxide", + "Lime" + ] + }, + { + "compound_id": "C13142", + "inchi": "InChI=1S/C17H19N5O6S2.Na/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9;/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26);/q;+1/p-1/b21-10-;/t9-,11+,15+;/m0./s1", + "name": "Cefovecin sodium", + "names": [ + "Cefovecin sodium" + ] + }, + { + "compound_id": "C13143", + "inchi": "InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1", + "name": "Ceftiofur sodium", + "names": [ + "Ceftiofur sodium" + ] + }, + { + "compound_id": "C13144", + "inchi": "InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;", + "name": "Ozagrel hydrochloride", + "names": [ + "Ozagrel hydrochloride" + ] + }, + { + "compound_id": "C13154", + "inchi": "InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1", + "name": "Dehydrocholic acid", + "names": [ + "3,7,12-Triketo-5beta-cholanoic acid", + "Dehydrocholic acid" + ] + }, + { + "compound_id": "C13156", + "inchi": null, + "name": "Lentinan", + "names": [ + "Lentinan" + ] + }, + { + "compound_id": "C13167", + "inchi": "InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31?,32+;/m1./s1", + "name": "Dihydro-alpha-ergocryptine mesylate", + "names": [ + "9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate", + "Dihydro-alpha-ergocryptine mesylate" + ] + }, + { + "compound_id": "C13168", + "inchi": "InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34?,35+;/m1./s1", + "name": "Dihydroergocristine mesylate", + "names": [ + "Dihydroergocristine mesylate" + ] + }, + { + "compound_id": "C13173", + "inchi": "InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1", + "name": "Roxithromycin", + "names": [ + "Roxithromycin" + ] + }, + { + "compound_id": "C13179", + "inchi": "InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)", + "name": "Fleroxacin", + "names": [ + "Fleroxacin" + ] + }, + { + "compound_id": "C13182", + "inchi": "InChI=1S/C23H27N3O4.ClH/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H/t16-,18?;", + "name": "Benexate hydrochloride", + "names": [ + "Benexate hydrochloride" + ] + }, + { + "compound_id": "C13183", + "inchi": "InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34?,35?,36-,37-,38-,39-,40?,41-,42?/m1/s1", + "name": "Betadex", + "names": [ + "Betadex" + ] + }, + { + "compound_id": "C13189", + "inchi": "InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2", + "name": "Calcium bromide", + "names": [ + "Calcium bromide" + ] + }, + { + "compound_id": "C13192", + "inchi": "InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2", + "name": "Potassium sulfate", + "names": [ + "Potassium sulfate" + ] + }, + { + "compound_id": "C13194", + "inchi": "InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2", + "name": "Calcium sulfate", + "names": [ + "Calcium sulfate", + "Gypsum" + ] + }, + { + "compound_id": "C13197", + "inchi": "InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2", + "name": "Potassium dibasic phosphate", + "names": [ + "Potassium dibasic phosphate" + ] + }, + { + "compound_id": "C13198", + "inchi": "InChI=1S/BrH.K/h1H;/q;+1/p-1", + "name": "Potassium bromide", + "names": [ + "Potassium bromide" + ] + }, + { + "compound_id": "C13199", + "inchi": "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2", + "name": "Sodium sulfate", + "names": [ + "Sodium sulfate" + ] + }, + { + "compound_id": "C13202", + "inchi": "InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1", + "name": "alpha-Tocopherol acetate", + "names": [ + "Tocopherol acetate", + "alpha-Tocopherol acetate" + ] + }, + { + "compound_id": "C13229", + "inchi": "InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1", + "name": "Sulpyrine", + "names": [ + "Dipyrone", + "Dipyrone monohydrate", + "Sulpyrine" + ] + }, + { + "compound_id": "C13235", + "inchi": "InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H", + "name": "Procaterol hydrochloride", + "names": [ + "Lontermin", + "Procaterol hydrochloride" + ] + }, + { + "compound_id": "C13240", + "inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3", + "name": "Ether", + "names": [ + "Anesthetic ether", + "Diethyl ether", + "Ether" + ] + }, + { + "compound_id": "C13244", + "inchi": "InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3", + "name": "Antipyrine", + "names": [ + "Antipyrine", + "Phenazone" + ] + }, + { + "compound_id": "C13249", + "inchi": "InChI=1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3", + "name": "Sodium citrate", + "names": [ + "Sodium citrate", + "Trisodium citrate dihydrate" + ] + }, + { + "compound_id": "C13254", + "inchi": "InChI=1S/2C19H20N2.C10H8O6S2/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)", + "name": "Mebhydrolin napadisilate", + "names": [ + "Diazoline", + "Mebhydrolin napadisilate" + ] + }, + { + "compound_id": "C13269", + "inchi": "InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1", + "name": "Aspoxicillin", + "names": [ + "Aspoxicillin" + ] + }, + { + "compound_id": "C13273", + "inchi": "InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-", + "name": "Plaunotol", + "names": [ + "18-Hydroxygeranylgeraniol", + "Plaunotol" + ] + }, + { + "compound_id": "C13280", + "inchi": "InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)", + "name": "Nicorandil", + "names": [ + "Nicorandil" + ] + }, + { + "compound_id": "C13297", + "inchi": "InChI=1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+", + "name": "Geranylgeranylacetone", + "names": [ + "Geranylgeranylacetone", + "Teprenone" + ] + }, + { + "compound_id": "C13299", + "inchi": "InChI=1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1", + "name": "Fungichromin", + "names": [ + "Fungichromin", + "Pentamycin" + ] + }, + { + "compound_id": "C13301", + "inchi": "InChI=1S/C60H86N16O13.C2H4O2/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40;1-2(3)4/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65);1H3,(H,3,4)/t40-,41-,42-,43-,44-,45-,46-,47+,48-;/m0./s1", + "name": "Buserelin acetate", + "names": [ + "Buserelin acetate" + ] + }, + { + "compound_id": "C13309", + "inchi": "InChI=1S/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3/b25-19+", + "name": "2-Phytyl-1,4-naphthoquinone", + "names": [ + "2-Phytyl-1,4-naphthoquinone", + "Demethylphylloquinone" + ] + }, + { + "compound_id": "C13310", + "inchi": "InChI=1S/C12H15NO5S.Na/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6;/h5-7,11,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,7+,11-;/m1./s1", + "name": "Faropenem sodium", + "names": [ + "Faropenem sodium", + "Fropenum sodium", + "SUN 5555" + ] + }, + { + "compound_id": "C13311", + "inchi": "InChI=1S/C10H16N2O2/c13-9-5-4-8(11-9)10(14)12-6-2-1-3-7-12/h8H,1-7H2,(H,11,13)/t8-/m1/s1", + "name": "Fasoracetam", + "names": [ + "Fasoracetam", + "NS 105" + ] + }, + { + "compound_id": "C13326", + "inchi": "InChI=1S/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1", + "name": "Kad 1229", + "names": [ + "Kad 1229", + "Mitiglinide calcium" + ] + }, + { + "compound_id": "C13334", + "inchi": "InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1", + "name": "Pitavastatin", + "names": [ + "(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate", + "Pitavastatin" + ] + }, + { + "compound_id": "C13342", + "inchi": "InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3", + "name": "p-Hydroxypropiophenone", + "names": [ + "Paroxypropione", + "p-Hydroxypropiophenone" + ] + }, + { + "compound_id": "C13355", + "inchi": "InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3", + "name": "Aniracetam", + "names": [ + "Aniracetam" + ] + }, + { + "compound_id": "C13358", + "inchi": "InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1", + "name": "Hydrocortisone butyrate propionate", + "names": [ + "Hydrocortisone buteprate", + "Hydrocortisone butyrate propionate", + "Hydrocortisone probutate" + ] + }, + { + "compound_id": "C13373", + "inchi": "InChI=1/Xe", + "name": "Xenon", + "names": [ + "Xenon" + ] + }, + { + "compound_id": "C13376", + "inchi": "InChI=1S/C25H24N8O7S2.Na/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2;/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40);/q;+1/p-1/t17-,18-,23-;/m1./s1", + "name": "Cefpiramide sodium", + "names": [ + "Cefpiramide sodium" + ] + }, + { + "compound_id": "C13377", + "inchi": "InChI=1S/2ClH.Hg/h2*1H;/q;;+2/p-2", + "name": "Mercuric chloride", + "names": [ + "Mercuric chloride", + "Mercury(II) chloride" + ] + }, + { + "compound_id": "C13378", + "inchi": "InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)", + "name": "alpha,beta-Dihydroxyethyl-TPP", + "names": [ + "2-(1,2-Dihydroxyethyl)-TPP", + "alpha,beta-Dihydroxyethyl-TPP", + "alpha,beta-Dihydroxyethyl-ThDP" + ] + }, + { + "compound_id": "C13383", + "inchi": "InChI=1S/CHI3/c2-1(3)4/h1H", + "name": "Iodoform", + "names": [ + "Iodoform" + ] + }, + { + "compound_id": "C13391", + "inchi": "InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3", + "name": "Aluminum hydroxide", + "names": [ + "Aluminum hydroxide" + ] + }, + { + "compound_id": "C13392", + "inchi": "InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H", + "name": "Azulene", + "names": [ + "Azulene" + ] + }, + { + "compound_id": "C13400", + "inchi": "InChI=1S/C9H8O4.C2H5NO2.CH2O3.Al.Mg.2H2O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;3-1-2(4)5;2-1(3)4;;;;/h2-5H,1H3,(H,11,12);1,3H2,(H,4,5);(H2,2,3,4);;;2*1H2/q;;;+3;+2;;/p-5", + "name": "Bufferin", + "names": [ + "Aspirin softam", + "Bufferin" + ] + }, + { + "compound_id": "C13403", + "inchi": "InChI=1/C8H10N4O2.C7H6O2.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6;/h4H,1-3H3;1-5H,(H,8,9);/q;;+1/p-1/fC8H10N4O2.C7H5O2.Na/q;-1;m", + "name": "Sodium caffeine benzoate", + "names": [ + "Sodium caffeine benzoate" + ] + }, + { + "compound_id": "C13409", + "inchi": null, + "name": "Titanium dioxide", + "names": [ + "Titania", + "Titanium dioxide" + ] + }, + { + "compound_id": "C13410", + "inchi": "InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1", + "name": "Transfluthrin", + "names": [ + "(2,3,5,6-Tetrafluorophenyl)methyl(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate", + "Transfluthrin" + ] + }, + { + "compound_id": "C13414", + "inchi": "InChI=1S/C15H18O3S.Na/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14;/h5-10H,4H2,1-3H3,(H,16,17,18);/q;+1/p-1", + "name": "Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate", + "names": [ + "Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate" + ] + }, + { + "compound_id": "C13415", + "inchi": "InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3", + "name": "n-Butyl-2-cyanoacrylate", + "names": [ + "Butyl 2-cyanoacrylate polymers", + "Histoacryl", + "n-Butyl-2-cyanoacrylate" + ] + }, + { + "compound_id": "C13416", + "inchi": "InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1", + "name": "Sodium equilin sulfate", + "names": [ + "Sodium equilin sulfate" + ] + }, + { + "compound_id": "C13422", + "inchi": "InChI=1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1", + "name": "Hydrocortisone caproate", + "names": [ + "Hydrocortisone caproate", + "[2-(11,17-Dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl]hexanoate" + ] + }, + { + "compound_id": "C13424", + "inchi": "InChI=1S/C25H32N2O.C4H4O4/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21;5-3(6)1-2-4(7)8/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+", + "name": "Zanapezil fumarate", + "names": [ + "Zanapezil fumarate" + ] + }, + { + "compound_id": "C13425", + "inchi": "InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+", + "name": "3-Hexaprenyl-4-hydroxybenzoate", + "names": [ + "3-Hexaprenyl-4-hydroxybenzoate", + "3-Hexaprenyl-4-hydroxybenzoic acid" + ] + }, + { + "compound_id": "C13426", + "inchi": "InChI=1S/C22H35IO2/c1-19(18-22(24)25)12-10-8-6-4-2-3-5-7-9-11-13-20-14-16-21(23)17-15-20/h14-17,19H,2-13,18H2,1H3,(H,24,25)/i23-4", + "name": "I-123 BMIPP", + "names": [ + "123I-15-(p-iodophenyl)-3-R,S-methylpentadecanoic acid", + "I-123 BMIPP", + "I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid" + ] + }, + { + "compound_id": "C13427", + "inchi": "InChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2", + "name": "Pyrithione zinc", + "names": [ + "Pyrithione zinc", + "Zinc pyrithione" + ] + }, + { + "compound_id": "C13429", + "inchi": "InChI=1S/2C11H9I3N2O4.C7H17NO5.Na/c2*1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9;/h2*1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3;/q;;;+1/p-1/t;;4-,5+,6+,7+;/m..0./s1", + "name": "Meglumine sodium amidotrizoate", + "names": [ + "Meglumine sodium amidotrizoate", + "Urovision" + ] + }, + { + "compound_id": "C13431", + "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22?,33-,34-,38+,39+,40-/m0/s1", + "name": "9'-cis-Neoxanthin", + "names": [ + "9'-cis-Neoxanthin" + ] + }, + { + "compound_id": "C13433", + "inchi": "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1", + "name": "9-cis-Violaxanthin", + "names": [ + "9-cis-Violaxanthin" + ] + }, + { + "compound_id": "C13440", + "inchi": "InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1", + "name": "Cefaloglycin", + "names": [ + "Cefaloglycin", + "Cephaloglycin anhydrous" + ] + }, + { + "compound_id": "C13441", + "inchi": "InChI=1S/C26H35N3O5.2ClH/c1-15-19-13-29-7-6-16-18-11-23(31-4)24(32-5)12-21(18)27-25(16)22(29)10-17(19)20(14-34-15)26(30)33-9-8-28(2)3;;/h11-12,14-15,17,19,22,27H,6-10,13H2,1-5H3;2*1H/t15-,17-,19-,22+;;/m0../s1", + "name": "Dimethylaminoethyl reserpilinate dihydrochloride", + "names": [ + "Dimethylaminoethyl reserpilinate dihydrochloride", + "Paratensiol" + ] + }, + { + "compound_id": "C13444", + "inchi": "InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1", + "name": "Estradiol benzoate", + "names": [ + "17-beta-Estradiol 3-benzoate", + "Estradiol benzoate" + ] + }, + { + "compound_id": "C13450", + "inchi": "InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,41?,42?,43?,45?,46-,48?,49?,51?,52+,53-,54+,55?,57+,58?/m1/s1", + "name": "Trichomycin A", + "names": [ + "Trichomycin A" + ] + }, + { + "compound_id": "C13451", + "inchi": "InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-44(65)28-43(64)27-40(61)18-16-19-41(62)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40,42-46,48-49,51-55,57,61,63-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,42?,43?,44?,45?,46-,48?,49?,51?,52+,53-,54+,55?,57+,58?/m1/s1", + "name": "Trichomycin B", + "names": [ + "Trichomycin B" + ] + }, + { + "compound_id": "C13452", + "inchi": "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2", + "name": "Tannic acid", + "names": [ + "Tannic acid" + ] + }, + { + "compound_id": "C13453", + "inchi": "InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1", + "name": "Xanthoxin", + "names": [ + "2-cis,4-trans-Xanthoxin", + "Xanthoxin" + ] + }, + { + "compound_id": "C13454", + "inchi": "InChI=1S/C15H22O4/c1-10(7-12(17)18)5-6-15-13(2,3)8-11(16)9-14(15,4)19-15/h5-7,11,16H,8-9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t11-,14+,15-/m0/s1", + "name": "Xanthoxic acid", + "names": [ + "Xanthoxic acid" + ] + }, + { + "compound_id": "C13455", + "inchi": "InChI=1S/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-9,18H,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1", + "name": "Abscisic aldehyde", + "names": [ + "Abscisic aldehyde" + ] + }, + { + "compound_id": "C13456", + "inchi": "InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1", + "name": "Abscisic alcohol", + "names": [ + "Abscisic alcohol" + ] + }, + { + "compound_id": "C13478", + "inchi": "InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1", + "name": "Luliconazole", + "names": [ + "Luliconazole" + ] + }, + { + "compound_id": "C13482", + "inchi": "InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)", + "name": "Phosphodimethylethanolamine", + "names": [ + "Phosphodimethylethanolamine" + ] + }, + { + "compound_id": "C13487", + "inchi": "InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3/b6-5+", + "name": "Metofluthrin", + "names": [ + "Metofluthrin" + ] + }, + { + "compound_id": "C13493", + "inchi": "InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3", + "name": "Polidocanol", + "names": [ + "Nonaethylene glycol monododecyl ether", + "Polidocanol" + ] + }, + { + "compound_id": "C13494", + "inchi": "InChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2", + "name": "Mosapride citrate hydrate", + "names": [ + "AS 4370", + "Mosapride citrate hydrate" + ] + }, + { + "compound_id": "C13500", + "inchi": null, + "name": "Kitasamycin tartrate", + "names": [ + "Kitasamycin tartrate" + ] + }, + { + "compound_id": "C13503", + "inchi": "InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2", + "name": "Nitro blue tetrazolium", + "names": [ + "Nitro blue tetrazolium" + ] + }, + { + "compound_id": "C13505", + "inchi": "InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1", + "name": "Cefsulodin sodium", + "names": [ + "Cefsulodin sodium" + ] + }, + { + "compound_id": "C13508", + "inchi": null, + "name": "Sulfoquinovosyldiacylglycerol", + "names": [ + "1,2-Diacyl-3-(6-sulfo-alpha-D-quinovosyl)-sn-glycerol", + "SQDG", + "Sulfoquinovosyldiacylglycerol" + ] + }, + { + "compound_id": "C13511", + "inchi": "InChI=1S/3C6H12O7.Fe/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);/q;;;+3/p-3/t3*2-,3-,4+,5-;/m111./s1", + "name": "Ferric gluconate", + "names": [ + "Ferlixit", + "Ferric gluconate", + "Ferrulecit" + ] + }, + { + "compound_id": "C13515", + "inchi": "InChI=1/H2O.Rb/h1H2;/q;+1/p-1/fHO.Rb/h1h;/q-1;m", + "name": "Rubidium hydroxide", + "names": [ + "Rubidium hydroxide" + ] + }, + { + "compound_id": "C13522", + "inchi": "InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1", + "name": "Mitobronitol", + "names": [ + "Mitobronitol", + "Myebrol" + ] + }, + { + "compound_id": "C13523", + "inchi": null, + "name": "Secretin", + "names": [ + "Secretin", + "Vitrum" + ] + }, + { + "compound_id": "C13524", + "inchi": "InChI=1S/C20H24ClN3S.2CH4O3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;2*1H3,(H,2,3,4)", + "name": "Prochlorperazine mesylate", + "names": [ + "Novamin", + "Prochlorperazine mesilate", + "Prochlorperazine mesylate", + "Prochlorperazine methanesulfonate" + ] + }, + { + "compound_id": "C13526", + "inchi": "InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1", + "name": "Sennoside B", + "names": [ + "Sennoside B" + ] + }, + { + "compound_id": "C13534", + "inchi": "InChI=1S/C12H15NO3.ClH/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13;/h5H,3-4,6-7H2,1-2H3;1H", + "name": "Hydrocotarnine hydrochloride", + "names": [ + "Hydrocotarnine hydrochloride" + ] + }, + { + "compound_id": "C13540", + "inchi": "InChI=1S/C21H26ClN3OS.2C4H4O4/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;2*5-3(6)1-2-4(7)8/h1-2,4-7,16,26H,3,8-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-", + "name": "Perphenazine maleate", + "names": [ + "Perphenazine maleate" + ] + }, + { + "compound_id": "C13542", + "inchi": "InChI=1S/C12H24O11.2H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;;/h4-21H,1-3H2;2*1H2/t4-,5+,6+,7+,8-,9-,10+,11?,12?;;/m0../s1", + "name": "Lactitol dihydrate", + "names": [ + "Lactitol dihydrate" + ] + }, + { + "compound_id": "C13546", + "inchi": "InChI=1S/C14H10N4O.ClH/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10;/h2-6,8H,1H3,(H,17,19);1H", + "name": "Olprinone hydrochloride", + "names": [ + "E 1020", + "Olprinone hydrochloride" + ] + }, + { + "compound_id": "C13547", + "inchi": "InChI=1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4", + "name": "Norcholestenol iodomethyl (131 I)", + "names": [ + "Norcholestenol iodomethyl ((sup 131)I)", + "Norcholestenol iodomethyl (131 I)" + ] + }, + { + "compound_id": "C13548", + "inchi": "InChI=1S/C36H60O30.C20H34O5/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h7-54H,1-6H2;12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b;13-12+/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;15-,16+,17+,19+/m10/s1", + "name": "Alprostadil alfadex", + "names": [ + "Alprostadil alfadex", + "G 511" + ] + }, + { + "compound_id": "C13550", + "inchi": "InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1", + "name": "Cerebrosterol", + "names": [ + "(24S)-24-Hydroxycholesterol", + "24-Hydroxycholesterol", + "Cerebrosterol", + "Cholest-5-ene-3,24-diol" + ] + }, + { + "compound_id": "C13553", + "inchi": null, + "name": "Colistin sodium methanesulfonate", + "names": [ + "Colistimethate sodium", + "Colistin sodium methanesulfonate" + ] + }, + { + "compound_id": "C13554", + "inchi": "InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11-,25-19-/t28-,29-,30-,33+,34-,35-,36-/m0/s1", + "name": "Prednisolone 21-all-cis-farnesylate", + "names": [ + "Prednisolone 21-all-cis-farnesylate" + ] + }, + { + "compound_id": "C13556", + "inchi": "InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2", + "name": "Monobasic calcium phosphate", + "names": [ + "Calcium biphosphate", + "Monobasic calcium phosphate", + "Monocalcium phosphate" + ] + }, + { + "compound_id": "C13558", + "inchi": "InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2", + "name": "Dibasic sodium phosphate", + "names": [ + "Dibasic sodium phosphate", + "Disodium phosphate" + ] + }, + { + "compound_id": "C13563", + "inchi": "InChI=1S/ClH.Na/h1H;/q;+1/p-1", + "name": "Sodium chloride", + "names": [ + "Sodium chloride" + ] + }, + { + "compound_id": "C13569", + "inchi": "InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23-,24-,25-,26-,27+,32+,33-,35-,36-,37?,38?,39+,40+,41?,42+,46+,47-,48-,52+,53+,54+,55?,56+,57+/m1/s1", + "name": "Chromomycin A3", + "names": [ + "Aburamycin B", + "Chromomycin A3", + "Toyomycin" + ] + }, + { + "compound_id": "C13587", + "inchi": "InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b8-7+/t48-,57-,58-,59-,62-,63-,64+,65-,66?,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77?,86?,87+,88+/m1/s1", + "name": "Teicoplanin A2-1", + "names": [ + "Teichomycin A2 factor 1", + "Teicoplanin A2-1" + ] + }, + { + "compound_id": "C13588", + "inchi": "InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66?,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77?,86?,87+,88+/m1/s1", + "name": "Teicoplanin A2-3", + "names": [ + "Teichomycin A2 factor 3", + "Teicoplanin A2-3" + ] + }, + { + "compound_id": "C13591", + "inchi": "InChI=1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H", + "name": "Metipranolol hydrochloride", + "names": [ + "Metipranolol hydrochloride" + ] + }, + { + "compound_id": "C13594", + "inchi": "InChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;4-2-1-3(5)6/h1-6H,11H2,(H,13,14);4H,1-2H2,(H,5,6)", + "name": "Amrinone lactate", + "names": [ + "Amrinone lactate", + "Inamrinone lactate" + ] + }, + { + "compound_id": "C13595", + "inchi": "InChI=1S/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)", + "name": "Milrinone lactate", + "names": [ + "Milrinone lactate" + ] + }, + { + "compound_id": "C13610", + "inchi": "InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67?,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78?,87?,88+,89+/m1/s1", + "name": "Teicoplanin A2-4", + "names": [ + "Teichomycin A2 factor 4", + "Teicoplanin A2-4" + ] + }, + { + "compound_id": "C13612", + "inchi": "InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t49-,58-,59-,60-,63-,64-,65+,66-,67?,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78?,87?,88+,89+/m1/s1", + "name": "Teicoplanin A2-5", + "names": [ + "Teichomycin A2 factor 5", + "Teicoplanin A2-5" + ] + }, + { + "compound_id": "C13613", + "inchi": "InChI=1S/C72H68Cl2N8O28/c1-24(85)76-55-60(93)58(91)47(22-83)108-71(55)110-63-28-5-9-42(37(74)15-28)106-46-18-30-17-45(57(46)90)105-41-8-2-25(10-36(41)73)11-38-64(96)78-52(29-12-31(86)19-33(13-29)104-43-16-26(3-7-40(43)89)50(75)65(97)77-38)67(99)80-53(30)68(100)79-51-27-4-6-39(88)34(14-27)49-35(54(70(102)103)81-69(101)56(63)82-66(51)98)20-32(87)21-44(49)107-72-62(95)61(94)59(92)48(23-84)109-72/h2-10,12-21,38,47-48,50-56,58-63,71-72,83-84,86-95H,11,22-23,75H2,1H3,(H,76,85)(H,77,97)(H,78,96)(H,79,100)(H,80,99)(H,81,101)(H,82,98)(H,102,103)/t38-,47-,48-,50-,51-,52+,53-,54?,55-,56+,58-,59-,60-,61+,62+,63?,71?,72+/m1/s1", + "name": "Teicoplanin A3-1", + "names": [ + "Teicoplanin A3-1" + ] + }, + { + "compound_id": "C13619", + "inchi": "InChI=1S/2As.3O/q2*+3;3*-2", + "name": "Arsenous oxide", + "names": [ + "Arsenic trioxide", + "Arsenous oxide" + ] + }, + { + "compound_id": "C13620", + "inchi": "InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3", + "name": "Tetrabromobisphenol A", + "names": [ + "3,3',5,5'-Tetrabromobisphenol A", + "Tetrabromobisphenol A" + ] + }, + { + "compound_id": "C13621", + "inchi": "InChI=1S/C15H13Br3O2/c1-15(2,8-3-4-13(19)10(16)5-8)9-6-11(17)14(20)12(18)7-9/h3-7,19-20H,1-2H3", + "name": "Tribromobisphenol A", + "names": [ + "3,3',5-Tribromobisphenol A", + "Tribromobisphenol A" + ] + }, + { + "compound_id": "C13622", + "inchi": "InChI=1S/C15H14Br2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3", + "name": "Dibromobisphenol A", + "names": [ + "3,3'-Dibromobisphenol A", + "Dibromobisphenol A" + ] + }, + { + "compound_id": "C13623", + "inchi": "InChI=1S/C15H15BrO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3", + "name": "Monobromobisphenol A", + "names": [ + "3-Monobromobisphenol A", + "Monobromobisphenol A" + ] + }, + { + "compound_id": "C13624", + "inchi": "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3", + "name": "Bisphenol A", + "names": [ + "2,2-Bis(4-Hydroxyphenyl)propane", + "Bisphenol A" + ] + }, + { + "compound_id": "C13625", + "inchi": "InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-11,19-20H,1,12H2,2-3H3", + "name": "4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene", + "names": [ + "4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene" + ] + }, + { + "compound_id": "C13626", + "inchi": "InChI=1S/C15H16O3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,16-18H,1-2H3", + "name": "5-Hydroxybisphenol A", + "names": [ + "5-Hydroxybisphenol", + "5-Hydroxybisphenol A", + "BPAcatechol" + ] + }, + { + "compound_id": "C13628", + "inchi": "InChI=1S/C15H14O3/c1-15(2,10-3-6-12(16)7-4-10)11-5-8-13(17)14(18)9-11/h3-9,16H,1-2H3", + "name": "4,5-Bisphenol-o-quinone", + "names": [ + "4,5-Bisphenol-o-quinone", + "BPAquinone" + ] + }, + { + "compound_id": "C13629", + "inchi": "InChI=1S/C15H16O3/c1-15(18,12-4-8-14(17)9-5-12)10-11-2-6-13(16)7-3-11/h2-9,16-18H,10H2,1H3", + "name": "1,2-Bis(4-hydroxyphenyl)-2-propanol", + "names": [ + "1,2-Bis(4-hydroxyphenyl)-2-propanol" + ] + }, + { + "compound_id": "C13630", + "inchi": "InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3", + "name": "7-Ethoxyresorufin", + "names": [ + "7-Ethoxyphenoxazone", + "7-Ethoxyresorufin" + ] + }, + { + "compound_id": "C13631", + "inchi": "InChI=1S/C15H16O3/c1-15(10-16,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9,16-18H,10H2,1H3", + "name": "2,2-Bis(4-hydroxyphenyl)-1-propanol", + "names": [ + "2,2-Bis(4-hydroxyphenyl)-1-propanol" + ] + }, + { + "compound_id": "C13632", + "inchi": "InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+", + "name": "4,4'-Dihydroxy-alpha-methylstilbene", + "names": [ + "4,4'-Dihydroxy-alpha-methylstilbene" + ] + }, + { + "compound_id": "C13633", + "inchi": "InChI=1S/C15H14O4/c1-15(14(18)19,10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h2-9,16-17H,1H3,(H,18,19)", + "name": "2,2-Bis(4-hydroxyphenyl)-propanoic acid", + "names": [ + "2,2-Bis(4-hydroxyphenyl)-propanoic acid" + ] + }, + { + "compound_id": "C13634", + "inchi": "InChI=1S/C15H16O4/c16-10-15(19,12-3-7-14(18)8-4-12)9-11-1-5-13(17)6-2-11/h1-8,16-19H,9-10H2", + "name": "2,3-Bis(4-hydroxyphenyl)-1,2-propanediol", + "names": [ + "2,3-Bis(4-hydroxyphenyl)-1,2-propanediol" + ] + }, + { + "compound_id": "C13635", + "inchi": "InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2", + "name": "4-Hydroxyphenacyl alcohol", + "names": [ + "2,4'-Dihydroxyacetophenone", + "4-Hydroxyphenacyl alcohol" + ] + }, + { + "compound_id": "C13636", + "inchi": "InChI=1S/C8H8O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3", + "name": "4-Hydroxyphenyl acetate", + "names": [ + "4-Hydroxyphenyl acetate" + ] + }, + { + "compound_id": "C13637", + "inchi": "InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3", + "name": "4-Ethylphenol", + "names": [ + "4-Ethylphenol", + "p-Ethylphenol" + ] + }, + { + "compound_id": "C13638", + "inchi": "InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3", + "name": "1-(4'-Hydroxyphenyl)ethanol", + "names": [ + "1-(4'-Hydroxyphenyl)ethanol", + "4-(1-Hydroxyethyl)phenol", + "4-Hydroxy-alpha-methyl-benzenemethanol" + ] + }, + { + "compound_id": "C13639", + "inchi": "InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H", + "name": "dl-Methylephedrine hydrochloride", + "names": [ + "dl-Methylephedrine hydrochloride" + ] + }, + { + "compound_id": "C13645", + "inchi": "InChI=1S/BrH/h1H", + "name": "Hydrobromic acid", + "names": [ + "HBr", + "Hydrobromic acid" + ] + }, + { + "compound_id": "C13646", + "inchi": "InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)", + "name": "m-Chlorophenylbiguanide", + "names": [ + "m-Chlorophenylbiguanide", + "mCPBG" + ] + }, + { + "compound_id": "C13650", + "inchi": "InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)", + "name": "Debrisoquin", + "names": [ + "Debrisoquin", + "Debrisoquine" + ] + }, + { + "compound_id": "C13651", + "inchi": null, + "name": "Glucagon hydrochloride", + "names": [ + "Glucagon hydrochloride" + ] + }, + { + "compound_id": "C13652", + "inchi": "InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1", + "name": "Ampicillin sodium", + "names": [ + "Ampicillin sodium" + ] + }, + { + "compound_id": "C13660", + "inchi": "InChI=1S/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2", + "name": "Piperazine citrate", + "names": [ + "Piperazine citrate" + ] + }, + { + "compound_id": "C13662", + "inchi": "InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)", + "name": "Arg-vasopressin", + "names": [ + "8-L-Arginine vasopressin", + "ADH", + "AVP", + "Arg-vasopressin", + "Argipressin" + ] + }, + { + "compound_id": "C13664", + "inchi": "InChI=1S/C13H18N2O/c1-15(2,3)7-6-10-9-14-13-5-4-11(16)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3/p+1", + "name": "Bufotenidine", + "names": [ + "5-HTQ", + "Bufotenidine", + "N,N,N-Trimethylserotonin" + ] + }, + { + "compound_id": "C13665", + "inchi": "InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3", + "name": "2-Methyl-5-hydroxytryptamine", + "names": [ + "2-Me 5-HT", + "2-Methyl-5-hydroxytryptamine" + ] + }, + { + "compound_id": "C13666", + "inchi": "InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+", + "name": "Tropisetron", + "names": [ + "Tropisetron" + ] + }, + { + "compound_id": "C13667", + "inchi": "InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)", + "name": "2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline", + "names": [ + "2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline", + "NBQX" + ] + }, + { + "compound_id": "C13668", + "inchi": "InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)", + "name": "6-Cyano-7-nitroquinoxaline-2,3-dione", + "names": [ + "6-Cyano-7-nitroquinoxaline-2,3-dione", + "CNQX" + ] + }, + { + "compound_id": "C13670", + "inchi": "InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1", + "name": "Talampanel", + "names": [ + "Talampanel" + ] + }, + { + "compound_id": "C13671", + "inchi": "InChI=1/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1/f/h10,13H", + "name": "(S)-F-Willardiine", + "names": [ + "(S)-F-Willardiine" + ] + }, + { + "compound_id": "C13672", + "inchi": "InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)", + "name": "AMPA", + "names": [ + "AMPA", + "alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid" + ] + }, + { + "compound_id": "C13673", + "inchi": "InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)/t5-/m0/s1", + "name": "(S)-ACPA", + "names": [ + "(S)-2-Amino-3-(3-carboxy-5-methyl-4-isoxazolyl)porionic acid", + "(S)-ACPA" + ] + }, + { + "compound_id": "C13674", + "inchi": "InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27)", + "name": "1-Naphthylacetylspermine", + "names": [ + "1-Naphthylacetylspermine" + ] + }, + { + "compound_id": "C13675", + "inchi": "InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2", + "name": "CX-516", + "names": [ + "CX-516" + ] + }, + { + "compound_id": "C13676", + "inchi": "InChI=1S/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22)", + "name": "LY395153", + "names": [ + "LY395153" + ] + }, + { + "compound_id": "C13677", + "inchi": "InChI=1S/C14H17N2O2.HI/c1-16(2,3)10-11-4-6-12(7-5-11)15-13(17)8-9-14(15)18;/h4-9H,10H2,1-3H3;1H/q+1;/p-1", + "name": "4-(N-Maleimido)benzyltrimethylammonium iodide", + "names": [ + "4-(N-Maleimido)benzyltrimethylammonium iodide", + "MBTA" + ] + }, + { + "compound_id": "C13678", + "inchi": "InChI=1S/C13H15N2O2.HI/c1-15(2,3)11-6-4-10(5-7-11)14-12(16)8-9-13(14)17;/h4-9H,1-3H3;1H/q+1;/p-1", + "name": "4-(N-Maleimido)phenyltrimethylammonium iodide", + "names": [ + "4-(N-Maleimido)phenyltrimethylammonium iodide", + "MPTA" + ] + }, + { + "compound_id": "C13679", + "inchi": "InChI=1S/C20H28N8.2ClH/c21-25-23-19-11-9-15-27(17-19)13-7-5-3-1-2-4-6-8-14-28-16-10-12-20(18-28)24-26-22;;/h9-12,15-18H,1-8,13-14H2;2*1H/q+2;;/p-2", + "name": "Bis(3-azidopyridinium)-1,10-decane perchlorate", + "names": [ + "Bis(3-azidopyridinium)-1,10-decane perchlorate", + "DAPA" + ] + }, + { + "compound_id": "C13680", + "inchi": "InChI=1/C22H24O8/c1-10(2)12-5-14-13(9-23)6-15(27-14)18-21(4,29-18)8-16-19-22(30-19,20(25)28-16)17(7-12)26-11(3)24/h6,9,12,16-19H,1,5,7-8H2,2-4H3/t12-,16-,17+,18+,19-,21-,22-/m1/s1", + "name": "Lophotoxin", + "names": [ + "Lophotoxin" + ] + }, + { + "compound_id": "C13681", + "inchi": "InChI=1S/C8H10N3.BF4/c1-11(2)8-5-3-7(10-9)4-6-8;2-1(3,4)5/h3-6H,1-2H3;/q+1;-1", + "name": "p-N,N-(Dimethylamino)phenyldiazonium fluoroborate", + "names": [ + "DDF", + "p-N,N-(Dimethylamino)phenyldiazonium fluoroborate" + ] + }, + { + "compound_id": "C13682", + "inchi": "InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1", + "name": "Dihydro-beta-erythroidine", + "names": [ + "Dihydro-beta-erythroidine" + ] + }, + { + "compound_id": "C13683", + "inchi": "InChI=1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5+,12-6+/t16?,17-,18+,19-/m1/s1", + "name": "Histrionicotoxin", + "names": [ + "Histrionicotoxin" + ] + }, + { + "compound_id": "C13684", + "inchi": "InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14?,15+,16+,18+;/m0./s1", + "name": "Clindamycin hydrochloride", + "names": [ + "Clindamycin hydrochloride" + ] + }, + { + "compound_id": "C13687", + "inchi": "InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-11-14-13(15)10-9-12-16-14/h8,11,13-15H,9-10,12H2,1H3/b11-8+", + "name": "Cunaniol", + "names": [ + "Cunaniol" + ] + }, + { + "compound_id": "C13688", + "inchi": "InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)", + "name": "delta-Guanidinovaleric acid", + "names": [ + "delta-Guanidinovaleric acid" + ] + }, + { + "compound_id": "C13689", + "inchi": "InChI=1S/C6H4N2O3S.ClH/c7-8-5-3-1-2-4-6(5)12(9,10)11;/h1-4H;1H", + "name": "m-Benzenesulfonium diazonium chloride", + "names": [ + "m-Benzenesulfonium diazonium chloride" + ] + }, + { + "compound_id": "C13690", + "inchi": "InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)", + "name": "Dopamine 3-O-sulfate", + "names": [ + "Dopamine 3-O-sulfate", + "Dopamine 3-sulfate" + ] + }, + { + "compound_id": "C13691", + "inchi": "InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)", + "name": "Dopamine 4-O-sulfate", + "names": [ + "Dopamine 4-O-sulfate" + ] + }, + { + "compound_id": "C13692", + "inchi": "InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2", + "name": "Pentylenetetrazole", + "names": [ + "Pentetrazol", + "Pentylenetetrazole" + ] + }, + { + "compound_id": "C13693", + "inchi": "InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)", + "name": "4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol", + "names": [ + "4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol", + "Gaboxadol", + "THIP" + ] + }, + { + "compound_id": "C13694", + "inchi": "InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)", + "name": "Isoguvacine", + "names": [ + "Isoguvacine" + ] + }, + { + "compound_id": "C13695", + "inchi": "InChI=1S/C4H6N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H,(H3,5,6)(H,7,8)/b2-1-", + "name": "ZAPA", + "names": [ + "(Z)-3-((Aminoiminomethyl)thio)-2-propenoic acid", + "ZAPA" + ] + }, + { + "compound_id": "C13696", + "inchi": "InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1", + "name": "trans-3-Aminocyclopentane-1-carboxylic acid", + "names": [ + "trans-3-Aminocyclopentane-1-carboxylic acid" + ] + }, + { + "compound_id": "C13697", + "inchi": "InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)", + "name": "Fenamic acid", + "names": [ + "DPC", + "Diphenylamine-2-carboxylic acid", + "Fenamic acid" + ] + }, + { + "compound_id": "C13698", + "inchi": "InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)", + "name": "Niflumic acid", + "names": [ + "NFA", + "Niflumic acid" + ] + }, + { + "compound_id": "C13699", + "inchi": "InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)", + "name": "9-Anthroic acid", + "names": [ + "9-Anthroic acid", + "A9C", + "Anthracene-9-carboxylic acid" + ] + }, + { + "compound_id": "C13700", + "inchi": "InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)", + "name": "Clofibric acid", + "names": [ + "Clofibric acid" + ] + }, + { + "compound_id": "C13701", + "inchi": "InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)", + "name": "CPP", + "names": [ + "2-(p-Chlorophenoxy)propionic acid", + "CPP" + ] + }, + { + "compound_id": "C13702", + "inchi": "InChI=1S/C17H14N2O7S3/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+", + "name": "4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid", + "names": [ + "4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid", + "SITS" + ] + }, + { + "compound_id": "C13703", + "inchi": "InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)/t17-/m0/s1", + "name": "IAA-94", + "names": [ + "IAA-94", + "Indanyloxyacetic acid" + ] + }, + { + "compound_id": "C13704", + "inchi": "InChI=1S/C32H32O16S4/c1-45-29-17-5-19-11-26(50(36,37)38)13-21(30(19)46-2)7-23-15-28(52(42,43)44)16-24(32(23)48-4)8-22-14-27(51(39,40)41)12-20(31(22)47-3)6-18(29)10-25(9-17)49(33,34)35/h9-16H,5-8H2,1-4H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)", + "name": "TS-TM-calix(4)arene", + "names": [ + "5,11,17,23-Tetrasulfonato-25,26,27,28-tetramethoxy-calix(4)arene", + "TS-TM-calix(4)arene" + ] + }, + { + "compound_id": "C13705", + "inchi": "InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)", + "name": "5-Nitro-2-(3-phenylpropylamino)benzoic acid", + "names": [ + "5-Nitro-2-(3-phenylpropylamino)benzoic acid", + "NPPB" + ] + }, + { + "compound_id": "C13706", + "inchi": "InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+", + "name": "DNDS", + "names": [ + "4,4'-Dinitrostilbene-2,2'-disulfonic acid", + "DNDS" + ] + }, + { + "compound_id": "C13707", + "inchi": "InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15+,17+,20+/m0/s1", + "name": "RU-0211", + "names": [ + "Lubiprostone", + "RU-0211" + ] + }, + { + "compound_id": "C13708", + "inchi": "InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)", + "name": "IBMX", + "names": [ + "3-Isobutyl-1-methyxanthine", + "IBMX" + ] + }, + { + "compound_id": "C13709", + "inchi": "InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)", + "name": "CPX", + "names": [ + "8-Cyclopentyl-1,3-dipropylxanthine", + "CPX" + ] + }, + { + "compound_id": "C13710", + "inchi": "InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)", + "name": "4-PIOL", + "names": [ + "4-PIOL", + "5-(4-Piperidyl)isoxazol-3-ol" + ] + }, + { + "compound_id": "C13711", + "inchi": "InChI=1S/C6H8N2OS/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)", + "name": "Thio-THIP", + "names": [ + "Thio-4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol", + "Thio-THIP" + ] + }, + { + "compound_id": "C13712", + "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "3alpha-Hydroxy-5alpha-pregnan-20-one", + "names": [ + "3alpha-Hydroxy-5alpha-pregnan-20-one", + "3alpha-OH DHP" + ] + }, + { + "compound_id": "C13713", + "inchi": "InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1", + "name": "Allotetrahydrodeoxycorticosterone", + "names": [ + "3alpha,21-Dihydroxy-5alpha-pregnan-20-one", + "5alpha-THDOC", + "Allotetrahydrodeoxycorticosterone" + ] + }, + { + "compound_id": "C13714", + "inchi": "InChI=1S/C7H12O2/c1-3-7(2)4-5-9-6(7)8/h3-5H2,1-2H3", + "name": "alpha-EMGBL", + "names": [ + "2-Ethyl-2-methyl-4-butyrolactone", + "alpha-EMGBL" + ] + }, + { + "compound_id": "C13715", + "inchi": "InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3", + "name": "Miltirone", + "names": [ + "Miltirone" + ] + }, + { + "compound_id": "C13716", + "inchi": "InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3", + "name": "Ro 19-4603", + "names": [ + "RO19-4603", + "Ro 19-4603" + ] + }, + { + "compound_id": "C13717", + "inchi": "InChI=1S/C7H12O2/c1-3-7(2)4-6(8)9-5-7/h3-5H2,1-2H3", + "name": "beta-EMGBL", + "names": [ + "beta-EMGBL", + "beta-Ethyl-beta-methyl-gamma-butyrolactone" + ] + }, + { + "compound_id": "C13718", + "inchi": "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5?,6-,7+,10+,11-/m1/s1", + "name": "Dieldrin", + "names": [ + "Dieldrin" + ] + }, + { + "compound_id": "C13719", + "inchi": "InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)", + "name": "Nocodazole", + "names": [ + "Nocodazole" + ] + }, + { + "compound_id": "C13720", + "inchi": "InChI=1S/C7H12OS/c1-3-7(2)4-5-9-6(7)8/h3-5H2,1-2H3", + "name": "alpha-EMTBL", + "names": [ + "alpha-EMTBL", + "alpha-Ethyl-alpha-methyl-thiobutyrolactone" + ] + }, + { + "compound_id": "C13721", + "inchi": "InChI=1S/C19H15BN.Na/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H;/q-1;+1", + "name": "Cyanotriphenylborate", + "names": [ + "Cyanotriphenylborate" + ] + }, + { + "compound_id": "C13722", + "inchi": "InChI=1S/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1", + "name": "Adenophostin B", + "names": [ + "Adenophostin B" + ] + }, + { + "compound_id": "C13723", + "inchi": null, + "name": "Dextran sulfate", + "names": [ + "Dextran sulfate" + ] + }, + { + "compound_id": "C13724", + "inchi": null, + "name": "Polyvinyl sulfate", + "names": [ + "Polyvinyl sulfate" + ] + }, + { + "compound_id": "C13725", + "inchi": "InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1", + "name": "Patent blue", + "names": [ + "Patent blue" + ] + }, + { + "compound_id": "C13726", + "inchi": null, + "name": "Pentosan sulfate", + "names": [ + "Pentosan sulfate" + ] + }, + { + "compound_id": "C13727", + "inchi": "InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1", + "name": "Adenophostin A", + "names": [ + "Adenophostin A" + ] + }, + { + "compound_id": "C13728", + "inchi": "InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)", + "name": "4-Aminopyridine", + "names": [ + "4-AP", + "4-Aminopyridine" + ] + }, + { + "compound_id": "C13729", + "inchi": "InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2", + "name": "Pinacidil", + "names": [ + "Pinacidil" + ] + }, + { + "compound_id": "C13730", + "inchi": "InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1", + "name": "LY382884", + "names": [ + "LY382884" + ] + }, + { + "compound_id": "C13731", + "inchi": "InChI=1S/C12H11N3O4/c16-12-11(14-17)8-5-9(15(18)19)6-3-1-2-4-7(6)10(8)13-12/h5,17H,1-4H2,(H,13,14,16)", + "name": "NS-102", + "names": [ + "NS-102" + ] + }, + { + "compound_id": "C13732", + "inchi": "InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1", + "name": "Domoic acid", + "names": [ + "Domoic acid" + ] + }, + { + "compound_id": "C13733", + "inchi": "InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1", + "name": "(S)-ATPA", + "names": [ + "(S)-ATPA" + ] + }, + { + "compound_id": "C13734", + "inchi": "InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)", + "name": "2-Amino-5-phosphopentanoic acid", + "names": [ + "2-Amino-5-phosphopentanoic acid" + ] + }, + { + "compound_id": "C13735", + "inchi": "InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1", + "name": "Selfotel", + "names": [ + "Selfotel" + ] + }, + { + "compound_id": "C13736", + "inchi": "InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3", + "name": "Memantine", + "names": [ + "Memantine" + ] + }, + { + "compound_id": "C13737", + "inchi": "InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1", + "name": "Dizocilpine", + "names": [ + "Dizocilpine", + "MK801" + ] + }, + { + "compound_id": "C13738", + "inchi": "InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)", + "name": "Tet-glycine", + "names": [ + "5-Tetrazolyl-glycine", + "Tet-glycine" + ] + }, + { + "compound_id": "C13739", + "inchi": "InChI=1S/C6H8N2O4/c1-2-3(4(7)6(10)11)5(9)8-12-2/h4H,7H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1", + "name": "(R)-AMAA", + "names": [ + "(R)-2-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)acetic acid", + "(R)-AMAA" + ] + }, + { + "compound_id": "C13740", + "inchi": "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1", + "name": "alpha,beta-Methylene ATP", + "names": [ + "alpha,beta-Methylene ATP" + ] + }, + { + "compound_id": "C13741", + "inchi": "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1", + "name": "beta,gamma-Methylene ATP", + "names": [ + "AMP-PCP", + "beta,gamma-Methylene ATP" + ] + }, + { + "compound_id": "C13742", + "inchi": "InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine 5-O-(3-thiotriphophate)", + "names": [ + "ATP-gamma-S", + "Adenosine 5'-(gamma-thio)triphosphate", + "Adenosine 5-O-(3-thiotriphophate)", + "atp--s", + "atp-g--s" + ] + }, + { + "compound_id": "C13743", + "inchi": "InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1", + "name": "Adenosine 5-O-(3-thiodiphophate)", + "names": [ + "ADP-gamma-S", + "Adenosine 5-O-(3-thiodiphophate)" + ] + }, + { + "compound_id": "C13744", + "inchi": "InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1", + "name": "3'-O-(4-Benzoyl)benzoyl ATP", + "names": [ + "3'-O-(4-Benzoyl)benzoyl ATP", + "BzATP" + ] + }, + { + "compound_id": "C13745", + "inchi": "InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+", + "name": "Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid", + "names": [ + "PPADS", + "Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid" + ] + }, + { + "compound_id": "C13746", + "inchi": "InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)", + "name": "Reactive blue 2", + "names": [ + "Reactive blue 2" + ] + }, + { + "compound_id": "C13747", + "inchi": "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)", + "name": "1,7-Dimethylxanthine", + "names": [ + "1,7-Dimethylxanthine", + "Paraxanthine" + ] + }, + { + "compound_id": "C13748", + "inchi": "InChI=1S/C12H8Br2N2O/c1-16-8-4-7(13)12(17)11(14)10(8)6-2-3-15-5-9(6)16/h2-5,17H,1H3", + "name": "9-Methyl-7-bromoeudistomin D", + "names": [ + "9-Methyl-7-bromoeudistomin D", + "MBED" + ] + }, + { + "compound_id": "C13749", + "inchi": "InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)", + "name": "Sulmazole", + "names": [ + "Sulmazole" + ] + }, + { + "compound_id": "C13750", + "inchi": "InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21-,24-,27+,28+,29-,30+,31+/m1/s1", + "name": "Batrachotoxin", + "names": [ + "Batrachotoxin" + ] + }, + { + "compound_id": "C13751", + "inchi": "InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)", + "name": "Benzamil", + "names": [ + "Benzamil" + ] + }, + { + "compound_id": "C13752", + "inchi": "InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)", + "name": "Phenylamil", + "names": [ + "Phenamil", + "Phenylamil" + ] + }, + { + "compound_id": "C13753", + "inchi": "InChI=1S/C8H12ClN7O/c1-16(2)8(12)15-7(17)3-5(10)14-6(11)4(9)13-3/h1-2H3,(H4,10,11,14)(H2,12,15,17)", + "name": "6-Chloro-3,5-diaminopyrazine-3-carboxamide", + "names": [ + "6-Chloro-3,5-diaminopyrazine-3-carboxamide", + "CDPC" + ] + }, + { + "compound_id": "C13756", + "inchi": "InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1", + "name": "Dicloxacillin sodium", + "names": [ + "Dicloxacillin sodium", + "Dicloxacillin sodium monohydrate" + ] + }, + { + "compound_id": "C13757", + "inchi": "InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1", + "name": "Saxitoxin", + "names": [ + "Saxitoxin" + ] + }, + { + "compound_id": "C13758", + "inchi": "InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3", + "name": "Bay-K-8644", + "names": [ + "Bay-K-8644", + "BayK8644" + ] + }, + { + "compound_id": "C13759", + "inchi": "InChI=1S/C22H21NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3", + "name": "FPL64176", + "names": [ + "FPL64176", + "Methyl-2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate" + ] + }, + { + "compound_id": "C13760", + "inchi": "InChI=1S/C28H26ClN3O3/c1-18-24(27(33)32-21-11-4-3-5-12-21)26(22-13-6-7-14-23(22)29)25(19(2)31-18)28(34)35-17-15-20-10-8-9-16-30-20/h3-14,16,26,31H,15,17H2,1-2H3,(H,32,33)", + "name": "YC 170", + "names": [ + "YC 170" + ] + }, + { + "compound_id": "C13761", + "inchi": "InChI=1S/C18H17F2NO5/c1-3-24-16(22)13-9(2)21-11-8-25-17(23)15(11)14(13)10-6-4-5-7-12(10)26-18(19)20/h4-7,14,18,21H,3,8H2,1-2H3", + "name": "CGP 28-392", + "names": [ + "CGP 28 392", + "CGP 28-392" + ] + }, + { + "compound_id": "C13762", + "inchi": "InChI=1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3/t14-/m0/s1", + "name": "202-791", + "names": [ + "202-791", + "PN 202-791" + ] + }, + { + "compound_id": "C13763", + "inchi": "InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3", + "name": "Devapamil", + "names": [ + "Devapamil" + ] + }, + { + "compound_id": "C13764", + "inchi": "InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3", + "name": "Gallopamil", + "names": [ + "Gallopamil" + ] + }, + { + "compound_id": "C13765", + "inchi": "InChI=1S/C26H37NO8S2/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5/h8-11,18-19H,6-7,12-17H2,1-5H3", + "name": "Tiapamil", + "names": [ + "Tiapamil" + ] + }, + { + "compound_id": "C13766", + "inchi": "InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3", + "name": "Emopamil", + "names": [ + "Emopamil" + ] + }, + { + "compound_id": "C13767", + "inchi": "InChI=1S/C15H14O5/c1-3-17-12-9-5-6-11(16)20-14(9)15(18-4-2)13-10(12)7-8-19-13/h5-8H,3-4H2,1-2H3", + "name": "H37", + "names": [ + "5,8-Diethoxypsoralen", + "H37" + ] + }, + { + "compound_id": "C13768", + "inchi": null, + "name": "Colistin sulfate", + "names": [ + "Colistin sulfate" + ] + }, + { + "compound_id": "C13769", + "inchi": "InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3", + "name": "Bufuralol", + "names": [ + "Bufuralol" + ] + }, + { + "compound_id": "C13771", + "inchi": "InChI=1S/C29H27N3O3/c33-28(31-19-17-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-32-29(34)35-21-22-10-2-1-3-11-22/h1-16,18H,17,19-21H2,(H,31,33)(H,32,34)", + "name": "S9947", + "names": [ + "2'-(Benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide", + "S9947" + ] + }, + { + "compound_id": "C13772", + "inchi": "InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1", + "name": "Clofilium", + "names": [ + "Clofilium" + ] + }, + { + "compound_id": "C13773", + "inchi": "InChI=1S/C4H10N3O2/c1-3-6(4-2)7(9)5-8/h3-4H2,1-2H3/q-1", + "name": "1,1-Diethyl-2-hydroxy-2-nitrosohydrazine", + "names": [ + "1,1-Diethyl-2-hydroxy-2-nitrosohydrazine", + "D-NONOate" + ] + }, + { + "compound_id": "C13774", + "inchi": null, + "name": "Iron dextran", + "names": [ + "Iron dextran", + "Iron dextran complex" + ] + }, + { + "compound_id": "C13776", + "inchi": "InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3", + "name": "E-4031", + "names": [ + "E-4031" + ] + }, + { + "compound_id": "C13777", + "inchi": "InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+", + "name": "Azimilide", + "names": [ + "Azimilide" + ] + }, + { + "compound_id": "C13778", + "inchi": "InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3", + "name": "HMR1556", + "names": [ + "HMR1556" + ] + }, + { + "compound_id": "C13779", + "inchi": "InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2", + "name": "XE991", + "names": [ + "XE991" + ] + }, + { + "compound_id": "C13780", + "inchi": "InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2", + "name": "Linopirdine", + "names": [ + "Linopirdine" + ] + }, + { + "compound_id": "C13781", + "inchi": null, + "name": "Teicoplanin A2", + "names": [ + "Teichomycin A2", + "Teicoplanin A2" + ] + }, + { + "compound_id": "C13782", + "inchi": "InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1", + "name": "Paxilline", + "names": [ + "Paxilline" + ] + }, + { + "compound_id": "C13783", + "inchi": "InChI=1S/C34H28N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20H,21-24H2/p+2/b35-31+,36-32+", + "name": "UCL 1684", + "names": [ + "6,10-Diaza-3(1,3)8,(1,4)-dibenzena-1,5(1,4)-diquinolinacyclodecaphane", + "UCL 1684" + ] + }, + { + "compound_id": "C13784", + "inchi": "InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H", + "name": "TRAM-34", + "names": [ + "1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole", + "TRAM-34" + ] + }, + { + "compound_id": "C13785", + "inchi": "InChI=1S/C19H15ClO/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H", + "name": "TRAM-3", + "names": [ + "(2-Chlorophenyl)diphenylmethanol", + "TRAM-3" + ] + }, + { + "compound_id": "C13786", + "inchi": "InChI=1S/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2", + "name": "Cetiedil", + "names": [ + "Cetiedil" + ] + }, + { + "compound_id": "C13787", + "inchi": "InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-", + "name": "17-Methyl-6Z-octadecenoic acid", + "names": [ + "17-Methyl-6Z-octadecenoate", + "17-Methyl-6Z-octadecenoic acid" + ] + }, + { + "compound_id": "C13788", + "inchi": "InChI=1S/C30H31N/c1-2-12-22-31(21-11-1)23-13-10-20-30(24-25-14-4-3-5-15-25)28-18-8-6-16-26(28)27-17-7-9-19-29(27)30/h3-9,14-19H,1-2,11-12,20-24H2", + "name": "UCL 1608", + "names": [ + "UCL 1608" + ] + }, + { + "compound_id": "C13789", + "inchi": null, + "name": "Trichomycin", + "names": [ + "Hachimycin", + "Trichomycin" + ] + }, + { + "compound_id": "C13790", + "inchi": "InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m0/s1", + "name": "2S-Hydroxytetradecanoic acid", + "names": [ + "2S-Hydroxytetradecanoate", + "2S-Hydroxytetradecanoic acid" + ] + }, + { + "compound_id": "C13791", + "inchi": "InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-17(21-16)14-11-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m0/s1", + "name": "(6R,7S)-6,7-Epoxyoctadecanoic acid", + "names": [ + "(6R,7S)-6,7-Epoxyoctadecanoic acid", + "6R,7S-Epoxy-octadecanoate", + "6R,7S-Epoxy-octadecanoic acid" + ] + }, + { + "compound_id": "C13792", + "inchi": "InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h12-13,16H,3-11,14-15H2,1-2H3,(H,18,19)/b13-12-", + "name": "2-Methoxy-5Z-hexadecenoic acid", + "names": [ + "(5Z)-2-Methoxyhexadecenoic acid", + "2-Methoxy-5Z-hexadecenoate", + "2-Methoxy-5Z-hexadecenoic acid" + ] + }, + { + "compound_id": "C13793", + "inchi": "InChI=1S/C7H11BrO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-", + "name": "3-Bromo-2Z-heptenoic acid", + "names": [ + "(2Z)-3-Bromoheptenoic acid", + "3-Bromo-2Z-heptenoate", + "3-Bromo-2Z-heptenoic acid" + ] + }, + { + "compound_id": "C13794", + "inchi": "InChI=1S/C19H19N5/c1-3-7-16-14(5-1)13-15-6-2-4-8-17(15)24-18(16)21-22-19(24)23-11-9-20-10-12-23/h1-8,20H,9-13H2", + "name": "Pitrazepin", + "names": [ + "Pitrazepin" + ] + }, + { + "compound_id": "C13795", + "inchi": "InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)/t12-/m0/s1", + "name": "2S-Amino-tridecanoic acid", + "names": [ + "(S)-2-Aminotridecanoic acid", + "2S-Amino-tridecanoate", + "2S-Amino-tridecanoic acid" + ] + }, + { + "compound_id": "C13796", + "inchi": "InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)", + "name": "SR95531", + "names": [ + "SR95531" + ] + }, + { + "compound_id": "C13797", + "inchi": "InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)/t10-,11+,12+,13+,16-,17+,18+/m1/s1", + "name": "RU 5135", + "names": [ + "RU 5135" + ] + }, + { + "compound_id": "C13798", + "inchi": "InChI=1S/C18H30O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)", + "name": "8-(5-Hexyl-furan-2-yl)-octanoic acid", + "names": [ + "8-(5-Hexyl-furan-2-yl)-octanoate", + "8-(5-Hexyl-furan-2-yl)-octanoic acid" + ] + }, + { + "compound_id": "C13799", + "inchi": "InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1", + "name": "(+)-Hydrastine", + "names": [ + "(+)-Hydrastine", + "(+)-beta-Hydrastine" + ] + }, + { + "compound_id": "C13800", + "inchi": "InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+", + "name": "10-Nitrolinoleic acid", + "names": [ + "(9E,12Z)-10-Nitrooctadeca-9,12-dienoic acid", + "10-Nitrolinoleic acid", + "10-nitro-9-cis,12-cis-octadecadienoate", + "10-nitro-9-cis,12-cis-octadecadienoic acid" + ] + }, + { + "compound_id": "C13802", + "inchi": "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1", + "name": "Prostaglandin D3", + "names": [ + "Prostaglandin D3" + ] + }, + { + "compound_id": "C13803", + "inchi": "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1", + "name": "Alphaxalone", + "names": [ + "Alfaxalone", + "Alphaxalone" + ] + }, + { + "compound_id": "C13804", + "inchi": "InChI=1S/C25H40ClNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17?,18?,19?,20?,21-,22-,24-,25-/m0/s1", + "name": "ORG 20599", + "names": [ + "ORG 20599" + ] + }, + { + "compound_id": "C13805", + "inchi": "InChI=1S/C16H16N2O2/c1-2-3-8-20-16(19)14-9-12-11-6-4-5-7-13(11)18-15(12)10-17-14/h4-7,9-10,18H,2-3,8H2,1H3", + "name": "N-Butyl-beta-carboline-3-carboxylate", + "names": [ + "N-Butyl-beta-carboline-3-carboxylate" + ] + }, + { + "compound_id": "C13806", + "inchi": "InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1", + "name": "Philanthotoxin 343", + "names": [ + "Philanthotoxin 343" + ] + }, + { + "compound_id": "C13807", + "inchi": "InChI=1S/C20H32O5/c1-3-4-7-10-18(23)14-13-17(15-21)19(16(2)22)11-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1", + "name": "Levuglandin E2", + "names": [ + "10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate", + "10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid", + "LGE2", + "Levuglandin E2" + ] + }, + { + "compound_id": "C13808", + "inchi": "InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19-/m0/s1", + "name": "Levuglandin D2", + "names": [ + "9,10-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate", + "9,10-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid", + "LGD2", + "Levuglandin D2" + ] + }, + { + "compound_id": "C13809", + "inchi": "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1", + "name": "9,11,15-Trihydroxy-prosta-5,13-dien-1-oic acid", + "names": [ + "8-Isoprostaglandin F2alpha", + "8-Isoprostane", + "8-epi-Prostaglandin F2alpha", + "9,11,15-Trihydroxy-prosta-5,13-dien-1-oic acid" + ] + }, + { + "compound_id": "C13810", + "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13-/t21-,25-/m0/s1", + "name": "Clavulone I", + "names": [ + "Clavulone I" + ] + }, + { + "compound_id": "C13811", + "inchi": "InChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2", + "name": "Piperazine adipate", + "names": [ + "Piperazine adipate" + ] + }, + { + "compound_id": "C13812", + "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11+,22-13-/t21-,25-/m0/s1", + "name": "Clavulone II", + "names": [ + "Clavulone II" + ] + }, + { + "compound_id": "C13813", + "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11+,22-13+/t21-,25-/m0/s1", + "name": "Clavulone III", + "names": [ + "Clavulone III" + ] + }, + { + "compound_id": "C13814", + "inchi": "InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13+/t21-,25-/m0/s1", + "name": "Clavulone IV", + "names": [ + "Clavulone IV" + ] + }, + { + "compound_id": "C13815", + "inchi": "InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1", + "name": "Tetrapentylammonium", + "names": [ + "Tetrapentylammonium" + ] + }, + { + "compound_id": "C13816", + "inchi": "InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1", + "name": "(9R,13R)-12-Oxo-phytodienoic acid", + "names": [ + "(10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid", + "(9R,13R)-12-Oxo-phyto-10Z,15Z-dienoic acid", + "(9R,13R)-12-Oxo-phytodienoic acid" + ] + }, + { + "compound_id": "C13817", + "inchi": "InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1", + "name": "8-Br-cGMP", + "names": [ + "8-Br-cGMP", + "8-Bromocyclic GMP" + ] + }, + { + "compound_id": "C13818", + "inchi": "InChI=1S/C22H34O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-21,23-25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,14-12+", + "name": "F4-Neuroprostane (4-series)", + "names": [ + "F4-Neuroprostane (4-series)" + ] + }, + { + "compound_id": "C13819", + "inchi": "InChI=1S/C22H34O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-21,23-25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-7-,9-6-,15-14+", + "name": "F4-Neuroprostane (7-series)", + "names": [ + "F4-Neuroprostane (7-series)" + ] + }, + { + "compound_id": "C13820", + "inchi": "InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1", + "name": "Chromanol 293B", + "names": [ + "Chromanol 293B" + ] + }, + { + "compound_id": "C13821", + "inchi": "InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3", + "name": "1-Hexadecyl hexadecanoate", + "names": [ + "1-Hexadecyl hexadecanoate" + ] + }, + { + "compound_id": "C13822", + "inchi": "InChI=1S/C42H82O4/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-26-29-30-33-36-40(46-42(44)38-35-32-28-16-13-10-7-3)39(4)45-41(43)37-34-31-27-15-12-9-6-2/h39-40H,5-38H2,1-4H3/t39-,40+/m0/s1", + "name": "2S,3R-Didecanoyl-docosane-2,3-diol", + "names": [ + "2S,3R-Didecanoyl-docosane-2,3-diol" + ] + }, + { + "compound_id": "C13823", + "inchi": "InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2", + "name": "11-Undecanolactone", + "names": [ + "11-Undecanolactone" + ] + }, + { + "compound_id": "C13824", + "inchi": "InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1", + "name": "R-L3", + "names": [ + "R-L3" + ] + }, + { + "compound_id": "C13825", + "inchi": "InChI=1S/C16H24N5O8P/c1-2-3-4-5-10(22)29-30(25,26)27-6-9-12(23)13(24)16(28-9)21-8-20-11-14(17)18-7-19-15(11)21/h7-9,12-13,16,23-24H,2-6H2,1H3,(H,25,26)(H2,17,18,19)/t9-,12-,13-,16-/m1/s1", + "name": "O-Hexanoyl-adnosine monophosphate", + "names": [ + "O-Hexanoyl-adnosine monophosphate" + ] + }, + { + "compound_id": "C13826", + "inchi": "InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)", + "name": "Retigabine", + "names": [ + "D-23129", + "N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl ester", + "Retigabine" + ] + }, + { + "compound_id": "C13827", + "inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H", + "name": "Chloroform", + "names": [ + "Chloroform", + "Trichloromethane", + "trichloromethane" + ] + }, + { + "compound_id": "C13828", + "inchi": "InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-", + "name": "8,11,14-Eicosatrienoylethanolamide", + "names": [ + "8,11,14-Eicosatrienoylethanolamide", + "N-(8Z,11Z,14Z-icosatrienoyl)-ethanolamide" + ] + }, + { + "compound_id": "C13829", + "inchi": "InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-", + "name": "7,10,13,16-Docosatetraenoylethanolamine", + "names": [ + "7,10,13,16-Docosatetraenoylethanolamine", + "N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-ethanolamide" + ] + }, + { + "compound_id": "C13830", + "inchi": "InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m1/s1", + "name": "BMS 204352", + "names": [ + "BMS 204352", + "Flindokalner" + ] + }, + { + "compound_id": "C13831", + "inchi": "InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)", + "name": "Dodecanamide", + "names": [ + "Dodecanamide" + ] + }, + { + "compound_id": "C13832", + "inchi": "InChI=1S/C18H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h8-9,11-12,14-15H,2-7,10,13,16-17H2,1H3/b9-8-,12-11-,15-14-", + "name": "4Z,7Z,10Z-Octadecatrienenitrile", + "names": [ + "4Z,7Z,10Z-Octadecatrienenitrile" + ] + }, + { + "compound_id": "C13833", + "inchi": "InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)", + "name": "NS 1619", + "names": [ + "NS 1619" + ] + }, + { + "compound_id": "C13834", + "inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3", + "name": "Tridecane", + "names": [ + "Tridecane" + ] + }, + { + "compound_id": "C13835", + "inchi": "InChI=1S/C14H10ClF3N2O2/c15-9-4-5-12(21)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,21H,(H2,19,20,22)", + "name": "NS 1608", + "names": [ + "NS 1608" + ] + }, + { + "compound_id": "C13836", + "inchi": "InChI=1S/C20H17F3N2O4/c1-3-29-18(27)16-14-9-6-12(20(21,22)23)10-15(14)25(17(16)26)19(28)24-13-7-4-11(2)5-8-13/h4-10,26H,3H2,1-2H3,(H,24,28)", + "name": "CGS 7181", + "names": [ + "CGS 7181" + ] + }, + { + "compound_id": "C13837", + "inchi": "InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37?,38?,40?,41?,42+,44+,45-,46+,47+,48+/m0/s1", + "name": "Dehydrosoyasaponin I", + "names": [ + "DHS-I", + "Dehydrosoyasaponin I" + ] + }, + { + "compound_id": "C13838", + "inchi": "InChI=1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m0/s1", + "name": "Lactobacillic acid", + "names": [ + "11R,12S-Methylene-octadecanoic acid", + "Lactobacillic acid" + ] + }, + { + "compound_id": "C13840", + "inchi": "InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)", + "name": "1-Ethyl-2-benzimidazolinone", + "names": [ + "1-EBIO", + "1-Ethyl-2-benzimidazolinone" + ] + }, + { + "compound_id": "C13841", + "inchi": "InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)", + "name": "Zoxazolamine", + "names": [ + "Zoxazolamine" + ] + }, + { + "compound_id": "C13842", + "inchi": "InChI=1S/C77H150O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-56-58-60-62-64-66-68-70-72-74-76(78)75(77(79)80)73-71-69-67-65-63-61-59-57-55-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,46-47,75-76,78H,3-30,33-45,48-74H2,1-2H3,(H,79,80)/b32-31-,47-46+", + "name": "alpha-Semegma mycolic acid", + "names": [ + "alpha-Semegma mycolic acid" + ] + }, + { + "compound_id": "C13843", + "inchi": "InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19+/m0/s1", + "name": "17R,18S-Epoxy-5Z,8Z,11Z,14Z-icosatetraenoic acid", + "names": [ + "(5Z,8Z,11Z,14Z)-(17R,18S)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid", + "17R,18S-Epoxy-5Z,8Z,11Z,14Z-icosatetraenoic acid" + ] + }, + { + "compound_id": "C13844", + "inchi": "InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)", + "name": "DCEBIO", + "names": [ + "5,6-Dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one", + "DCEBIO" + ] + }, + { + "compound_id": "C13845", + "inchi": "InChI=1S/C41H71NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-37-38(3)39(36-42)46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39H,3-17,22-35,37H2,1-2H3/b20-18-,21-19-", + "name": "1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol", + "names": [ + "1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol" + ] + }, + { + "compound_id": "C13846", + "inchi": "InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)", + "name": "Octadecanamide", + "names": [ + "Octadecanamide", + "Stearamide", + "Stearic acid amide" + ] + }, + { + "compound_id": "C13847", + "inchi": "InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3/b22-20-", + "name": "CP 339818", + "names": [ + "CP 339818" + ] + }, + { + "compound_id": "C13848", + "inchi": "InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3", + "name": "UK 78282", + "names": [ + "UK 78282" + ] + }, + { + "compound_id": "C13849", + "inchi": "InChI=1S/C40H52O16/c1-18-16-39(48)26-14-15-35(8)25-12-13-27(46)50-17-38(25,19(2)51-20(3)41)31(53-22(5)43)28(52-21(4)42)29(35)36(26,9)32(54-23(6)44)33(55-24(7)45)37(39,10)40(30(18)56-40)34(47)49-11/h12-13,19,25-26,28-33,48H,1,14-17H2,2-11H3/t19-,25+,26-,28+,29+,30-,31?,32-,33+,35+,36+,37-,38-,39-,40+/m1/s1", + "name": "Correolide", + "names": [ + "Correolide" + ] + }, + { + "compound_id": "C13851", + "inchi": "InChI=1S/C29H35N3O7.ClH/c1-30(18-15-21-7-13-25(36-2)27(19-21)38-4)16-6-17-31(24-12-14-26(37-3)28(20-24)39-5)29(33)22-8-10-23(11-9-22)32(34)35;/h7-14,19-20H,6,15-18H2,1-5H3;1H", + "name": "BRL 32872", + "names": [ + "BRL 32872" + ] + }, + { + "compound_id": "C13852", + "inchi": "InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)", + "name": "Sipatrigine", + "names": [ + "BW619C89", + "Sipatrigine" + ] + }, + { + "compound_id": "C13853", + "inchi": "InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1", + "name": "L 735821", + "names": [ + "L 735821" + ] + }, + { + "compound_id": "C13854", + "inchi": "InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m0/s1", + "name": "1-Dodecanoyl-sn-glycerol", + "names": [ + "1-Dodecanoyl-sn-glycerol" + ] + }, + { + "compound_id": "C13856", + "inchi": "InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-", + "name": "2-Arachidonoylglycerol", + "names": [ + "2-AG", + "2-Arachidonoyl-sn-glycerol", + "2-Arachidonoylglycerol" + ] + }, + { + "compound_id": "C13857", + "inchi": "InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-", + "name": "1-Arachidonoylglycerol", + "names": [ + "1-Arachidonoyl-sn-glycerol", + "1-Arachidonoylglycerol" + ] + }, + { + "compound_id": "C13858", + "inchi": "InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3", + "name": "1-O-Octadecyl-sn-glycerol", + "names": [ + "1-O-Octadecyl-sn-glycerol", + "1-O-Octadecylglycerol", + "Batyl alcohol", + "Glycerol octadecyl ether" + ] + }, + { + "compound_id": "C13859", + "inchi": "InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3", + "name": "1-O-Hexadecyl-sn-glycerol", + "names": [ + "1-O-Hexadecyl-sn-glycerol", + "1-O-Hexadecylglycerol", + "Chimyl alcohol", + "Glycerol hexadecyl ether" + ] + }, + { + "compound_id": "C13860", + "inchi": "InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3/b10-9-", + "name": "1-O-Octadec-9-enyl glycerol", + "names": [ + "1-O-Octadec-9-enyl glycerol", + "Selachyl alcohol" + ] + }, + { + "compound_id": "C13861", + "inchi": "InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol" + ] + }, + { + "compound_id": "C13862", + "inchi": "InChI=1S/C37H72O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,36,38H,3-16,18,20-35H2,1-2H3/b19-17-/t36-/m0/s1", + "name": "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol", + "names": [ + "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol" + ] + }, + { + "compound_id": "C13863", + "inchi": "InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37?,38?,39?,40?,41?,42?,43-/m1/s1", + "name": "2,3-Di-O-phytanyl-sn-glycerol", + "names": [ + "2,3-Di-O-phytanyl-sn-glycerol", + "Archaeol" + ] + }, + { + "compound_id": "C13864", + "inchi": "InChI=1S/C35H66O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(37)39-34(32-36)33-38-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,29,31,34,36H,3-16,19-28,30,32-33H2,1-2H3/b18-17-,31-29-/t34-/m0/s1", + "name": "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol", + "names": [ + "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol" + ] + }, + { + "compound_id": "C13867", + "inchi": "InChI=1S/C57H88O8/c1-4-7-10-13-16-18-20-22-24-26-28-30-33-37-42-47-55(59)63-51-53(65-57(61)49-44-38-34-31-29-27-25-23-21-19-17-14-11-8-5-2)52-64-56(60)48-43-39-35-40-45-50-62-54(58)46-41-36-32-15-12-9-6-3/h7-8,10-11,16-19,22-25,32,35-36,41,45-46,53H,4-6,9,12-15,20-21,26-31,33-34,37-39,42-44,47-52H2,1-3H3/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,36-32-,46-41+", + "name": "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol", + "names": [ + "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol" + ] + }, + { + "compound_id": "C13869", + "inchi": "InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3", + "name": "1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol", + "names": [ + "1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol" + ] + }, + { + "compound_id": "C13870", + "inchi": "InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3", + "name": "Tributyrin", + "names": [ + "Glycerol tributyrate", + "Glyceryl tributyrate", + "Tributyrin", + "Tributyrylglycerol", + "tributyrylglycerol" + ] + }, + { + "compound_id": "C13871", + "inchi": "InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38?,39-,42+,43+,44-,45-/m1/s1", + "name": "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol", + "names": [ + "1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol" + ] + }, + { + "compound_id": "C13872", + "inchi": "InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85?,86?/m1/s1", + "name": "Caldarchaeol", + "names": [ + "Caldarchaeol" + ] + }, + { + "compound_id": "C13874", + "inchi": "InChI=1S/C98H192O16/c1-71-29-17-33-75(5)41-25-49-83(13)57-61-107-67-87(65-99)109-63-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-62-108-68-88(69-111-97-96(106)94(104)92(102)90(114-97)70-112-98-95(105)93(103)91(101)89(66-100)113-98)110-64-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-106H,17-70H2,1-16H3/t71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83+,84+,85+,86+,87?,88?,89-,90-,91-,92-,93+,94+,95-,96-,97-,98-/m1/s1", + "name": "Gentiobiosyl-caldarchaeol", + "names": [ + "Gentiobiosyl-caldarchaeol", + "Glcbeta1-6Glcbeta-caldarchaeol" + ] + }, + { + "compound_id": "C13875", + "inchi": "InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/p+1/b21-20-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C13876", + "inchi": "InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)50-40(39-49-51(46,47)37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/p+1/b21-20-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine" + ] + }, + { + "compound_id": "C13877", + "inchi": "InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine" + ] + }, + { + "compound_id": "C13878", + "inchi": "InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)47-37(36-46-48(43,44)34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine" + ] + }, + { + "compound_id": "C13880", + "inchi": "InChI=1S/C40H76NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/b18-17-/t36?,37-/m0/s1", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine" + ] + }, + { + "compound_id": "C13881", + "inchi": "InChI=1S/Ba/q+2", + "name": "Barium cation", + "names": [ + "Ba2+", + "Barium cation", + "Barium ion", + "Barium(2+)" + ] + }, + { + "compound_id": "C13883", + "inchi": "InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol" + ] + }, + { + "compound_id": "C13884", + "inchi": "InChI=1S/Sr/q+2", + "name": "Strontium cation", + "names": [ + "Sr2+", + "Strontium cation", + "Strontium ion", + "Strontium(2+)" + ] + }, + { + "compound_id": "C13885", + "inchi": "InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol 3'-phosphate" + ] + }, + { + "compound_id": "C13888", + "inchi": "InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17-/t35?,38-,39-,40+,41-,42-,43-/m1/s1", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol" + ] + }, + { + "compound_id": "C13889", + "inchi": "InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate", + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate" + ] + }, + { + "compound_id": "C13890", + "inchi": "InChI=1S/C37H72O11P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)47-35(34-46-50(43,44)48-49(40,41)42)33-45-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H,43,44)(H2,40,41,42)/b18-17-", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate", + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-diphosphate", + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-pyrophosphate" + ] + }, + { + "compound_id": "C13891", + "inchi": "InChI=1S/C36H65N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-31(40)49-25-28(52-32(41)22-20-18-16-14-12-10-8-6-4-2)26-50-55(45,46)54-56(47,48)51-27-29-33(42)34(43)35(53-29)39-24-23-30(37)38-36(39)44/h23-24,28-29,33-35,42-43H,3-22,25-27H2,1-2H3,(H,45,46)(H,47,48)(H2,37,38,44)/t28?,29-,33-,34-,35-/m1/s1", + "name": "1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate", + "names": [ + "1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate" + ] + }, + { + "compound_id": "C13892", + "inchi": "InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h17-18,33-34,38-39,43-45,52-53H,3-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b18-17-/t38?,39-,43-,44-,45-/m1/s1", + "name": "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate", + "names": [ + "1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate" + ] + }, + { + "compound_id": "C13894", + "inchi": "InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/p+1/b22-20-", + "name": "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine", + "names": [ + "1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C13895", + "inchi": "InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,32,35,39H,6-19,22-31,33-34,36-38H2,1-5H3/p+1/b21-20-,35-32-", + "name": "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine", + "names": [ + "1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C13896", + "inchi": "InChI=1S/C88H178NO9P/c1-71-29-17-33-75(5)41-25-49-83(13)57-62-93-68-87(67-90)95-64-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-63-94-69-88(70-98-99(91,92)97-66-61-89)96-65-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-88,90H,17-70,89H2,1-16H3,(H,91,92)/t71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83+,84+,85+,86+,87?,88?/m1/s1", + "name": "sn-Caldarchaeo-1-phosphoethanolamine", + "names": [ + "sn-Caldarchaeo-1-phosphoethanolamine" + ] + }, + { + "compound_id": "C13897", + "inchi": "InChI=1S/C94H190NO15P/c1-72-29-17-33-76(5)41-25-49-84(13)57-62-105-68-88(69-110-111(103,104)109-66-61-95)107-64-59-86(15)51-27-43-78(7)35-19-31-74(3)39-23-47-82(11)55-53-81(10)46-22-38-73(2)30-18-34-77(6)42-26-50-85(14)58-63-106-70-90(92(100)94(102,71-97)93(101)91(99)89(98)67-96)108-65-60-87(16)52-28-44-79(8)36-20-32-75(4)40-24-48-83(12)56-54-80(9)45-21-37-72/h72-93,96-102H,17-71,95H2,1-16H3,(H,103,104)/t72-,73-,74-,75-,76+,77+,78+,79+,80-,81-,82-,83-,84+,85+,86+,87+,88?,89?,90?,91?,92?,93?,94?/m1/s1", + "name": "sn-Caldito-1-phosphoethanolamine", + "names": [ + "sn-Caldito-1-phosphoethanolamine" + ] + }, + { + "compound_id": "C13898", + "inchi": "InChI=1S/C32H60NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)41-26-29(27-43-45(39,40)42-25-24-33(2,3)4)44-32(38)21-18-19-28(34)22-23-30(35)36/h22-23,28-29,34H,5-21,24-27H2,1-4H3,(H-,35,36,39,40)/b23-22+", + "name": "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine", + "names": [ + "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-phosphatidylcholine" + ] + }, + { + "compound_id": "C13900", + "inchi": "InChI=1S/C32H58NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)41-26-29(27-43-45(39,40)42-25-24-33(2,3)4)44-32(38)21-18-19-28(34)22-23-30(35)36/h22-23,29H,5-21,24-27H2,1-4H3,(H-,35,36,39,40)/b23-22+", + "name": "1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine", + "names": [ + "1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine" + ] + }, + { + "compound_id": "C13901", + "inchi": "InChI=1S/C32H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,29-30,35H,5-18,20,22-24,26-28H2,1-4H3/b21-19+", + "name": "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine", + "names": [ + "1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine" + ] + }, + { + "compound_id": "C13902", + "inchi": "InChI=1S/C32H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31(36)40-27-30(28-42-44(38,39)41-26-24-33(2,3)4)43-32(37)23-18-20-29(35)21-19-25-34/h19,21,25,30H,5-18,20,22-24,26-28H2,1-4H3/b21-19+", + "name": "1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine", + "names": [ + "1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-phosphatidylcholine" + ] + }, + { + "compound_id": "C13903", + "inchi": "InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3", + "name": "1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine", + "names": [ + "1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine", + "1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C13906", + "inchi": "InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)/t11-/m1/s1", + "name": "Balofloxacin", + "names": [ + "Balofloxacin" + ] + }, + { + "compound_id": "C13907", + "inchi": "InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39+,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1", + "name": "OM-174", + "names": [ + "OM-174", + "Triacyl lipid A", + "Triacyl lipid A OM-174" + ] + }, + { + "compound_id": "C13908", + "inchi": "InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75?,76?,77?,78?,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1", + "name": "Diphosphoryl hexaacyl lipid A", + "names": [ + "Diphosphoryl hexaacyl lipid A" + ] + }, + { + "compound_id": "C13909", + "inchi": "InChI=1S/C110H208N2O26P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-98(117)130-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(135-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(134-110(103)138-140(126,127)128)89-129-109-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)131-99(118)81-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)133-109)137-139(123,124)125)136-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)132-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,123,124,125)(H2,126,127,128)/t90?,91?,92?,93?,94-,95-,103-,104-,105-,106-,107-,108-,109-,110-/m1/s1", + "name": "Diphosphoryl heptaacyl lipid A", + "names": [ + "Diphosphoryl heptaacyl lipid A" + ] + }, + { + "compound_id": "C13910", + "inchi": "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)", + "name": "Undecylenic acid", + "names": [ + "Undecenoic acid", + "Undecylenic acid" + ] + }, + { + "compound_id": "C13914", + "inchi": "InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1", + "name": "N,N-Dimethylsphing-4-enine", + "names": [ + "N,N-Dimethylsphing-4-enine" + ] + }, + { + "compound_id": "C13915", + "inchi": "InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19H,2-14,17H2,1H3/t15-,16+/m0/s1", + "name": "Hexadecasphinganine", + "names": [ + "Hexadecasphinganine" + ] + }, + { + "compound_id": "C13916", + "inchi": "InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1", + "name": "N-(Tetradecanoyl)-sphing-4-enine", + "names": [ + "N-(Tetradecanoyl)-sphing-4-enine" + ] + }, + { + "compound_id": "C13918", + "inchi": "InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-66(71)72-61-57-53-49-45-41-37-33-30-28-26-24-22-20-18-19-21-23-25-27-29-32-35-39-43-47-51-55-59-65(70)67-63(62-68)64(69)58-54-50-46-42-38-34-16-14-12-10-8-6-4-2/h11,13,17,31,54,58,63-64,68-69H,3-10,12,14-16,18-30,32-53,55-57,59-62H2,1-2H3,(H,67,70)/b13-11-,31-17-,58-54+/t63-,64+/m0/s1", + "name": "N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine", + "names": [ + "N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine" + ] + }, + { + "compound_id": "C13920", + "inchi": null, + "name": "Ml4Cer", + "names": [ + "GlcNAc-beta1->2Man-alpha1->3Man-beta1->4Glc-beta1->1'Cer", + "Ml4Cer" + ] + }, + { + "compound_id": "C13921", + "inchi": null, + "name": "II2Xylbeta-Ml4Cer", + "names": [ + "GlcNAc-beta1->2Man-alpha1->3(Xyl-beta1-2)Man-beta1->4Glc-beta1->1'Cer", + "II2Xylbeta-Ml4Cer" + ] + }, + { + "compound_id": "C13922", + "inchi": null, + "name": "Ar4Cer", + "names": [ + "Ar4Cer", + "GalNAc-beta1->4GlcNAc-beta1->3Man-beta1->4Glc-beta1->1'Cer" + ] + }, + { + "compound_id": "C13923", + "inchi": null, + "name": "Ar5Cer", + "names": [ + "Ar5Cer", + "GalNAc-alpha1->4GalNAc-beta1->4GlcNAc-beta1->3Man-beta1->4Glc-beta1->1'Cer" + ] + }, + { + "compound_id": "C13924", + "inchi": null, + "name": "Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", + "names": [ + "Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", + "iGb3Cer" + ] + }, + { + "compound_id": "C13925", + "inchi": null, + "name": "iGb4Cer", + "names": [ + "GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", + "iGb4Cer" + ] + }, + { + "compound_id": "C13926", + "inchi": null, + "name": "iGb5Cer", + "names": [ + "GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer", + "iGb5Cer" + ] + }, + { + "compound_id": "C13927", + "inchi": "InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1", + "name": "Argiotoxin 636", + "names": [ + "Argiopin", + "Argiotoxin 636" + ] + }, + { + "compound_id": "C13929", + "inchi": "InChI=1S/C31H53N11O5/c32-22(8-5-16-40-31(34)35)29(46)38-17-7-14-37-13-6-12-36-11-2-1-3-15-39-30(47)24(19-26(33)44)42-27(45)18-21-20-41-23-9-4-10-25(43)28(21)23/h4,9-10,20,22,24,36-37,41,43H,1-3,5-8,11-19,32H2,(H2,33,44)(H,38,46)(H,39,47)(H,42,45)(H4,34,35,40)/t22-,24-/m0/s1", + "name": "Argiotoxin 659", + "names": [ + "Argiopinin III", + "Argiotoxin 659" + ] + }, + { + "compound_id": "C13931", + "inchi": "InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1", + "name": "JSTX-3", + "names": [ + "JSTX-3", + "Joro spider toxin" + ] + }, + { + "compound_id": "C13932", + "inchi": "InChI=1/6ClH.14H3N.2O.3Ru/h6*1H;14*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;2*-2;;;+10/p-6/f6Cl.14H3N.2O.3Ru/h6*1h;;;;;;;;;;;;;;;;;;;/q6*-1;;;;;;;;;;;;;;;2m;;;m", + "name": "Ruthenium red", + "names": [ + "Ruthenium red" + ] + }, + { + "compound_id": "C13937", + "inchi": "InChI=1S/C63H121N2O21P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-51(68)64-46(47(67)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)43-79-61-57(74)55(72)53(70)49(84-61)44-80-62-59(76)56(73)60(86-63-58(75)54(71)52(69)48(42-66)83-63)50(85-62)45-82-87(77,78)81-41-40-65(3,4)5/h36,38,46-50,52-63,66-67,69-76H,6-35,37,39-45H2,1-5H3,(H-,64,68,77,78)/p+1/b38-36+/t46-,47+,48+,49+,50+,52+,53-,54-,55-,56+,57+,58-,59+,60?,61+,62+,63?/m0/s1", + "name": "Cholinephosphorylmannosylneogalabiaosylceramide", + "names": [ + "Cholinephosphorylmannosylneogalabiaosylceramide", + "PGL3a" + ] + }, + { + "compound_id": "C13938", + "inchi": "InChI=1S/C63H121N2O21P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-51(67)64-46(47(66)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)42-79-61-58(74)55(71)52(68)48(84-61)43-80-62-59(75)56(72)53(69)49(85-62)44-81-63-60(76)57(73)54(70)50(86-63)45-83-87(77,78)82-41-40-65(3,4)5/h36,38,46-50,52-63,66,68-76H,6-35,37,39-45H2,1-5H3,(H-,64,67,77,78)/p+1/b38-36+/t46-,47+,48+,49+,50+,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+/m0/s1", + "name": "Cholinephosphorylneogalatriaosylceramide", + "names": [ + "Cholinephosphorylneogalatriaosylceramide", + "PGL3b" + ] + }, + { + "compound_id": "C13940", + "inchi": "InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25?,26?,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1", + "name": "Sennoside", + "names": [ + "Sennoside", + "Sennoside A&B" + ] + }, + { + "compound_id": "C13945", + "inchi": "InChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2-8H2,1H3,(H,12,13)", + "name": "2-Oxodecanoic acid", + "names": [ + "2-Oxodecanoate", + "2-Oxodecanoic acid" + ] + }, + { + "compound_id": "C13946", + "inchi": "InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h11-12,16H,3-10,13-15H2,1-2H3,(H,18,19)/b12-11-", + "name": "2-Methoxy-6Z-hexadecenoic acid", + "names": [ + "(6Z)-2-Methoxyhexadecenoic acid", + "2-Methoxy-6Z-hexadecenoate", + "2-Methoxy-6Z-hexadecenoic acid" + ] + }, + { + "compound_id": "C13947", + "inchi": "InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)", + "name": "2-Methoxyhexadecanoic acid", + "names": [ + "2-Methoxyhexadecanoate", + "2-Methoxyhexadecanoic acid" + ] + }, + { + "compound_id": "C13948", + "inchi": "InChI=1S/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)", + "name": "16-Fluorohexadecanoic acid", + "names": [ + "16-Fluorohexadecanoic acid", + "16-Fluoropalmitic acid" + ] + }, + { + "compound_id": "C13949", + "inchi": "InChI=1S/C16H31ClO3/c1-2-3-4-9-12-15(18)14(17)11-8-6-5-7-10-13-16(19)20/h14-15,18H,2-13H2,1H3,(H,19,20)", + "name": "9-Chloro-10-hydroxyhexadecanoic acid", + "names": [ + "9-Chloro-10-hydroxyhexadecanoic acid", + "9-Chloro-10-hydroxypalmitate", + "9-Chloro-10-hydroxypalmitic acid" + ] + }, + { + "compound_id": "C13952", + "inchi": "InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11-,12-,13+,14-,16-/m1/s1", + "name": "UDP-N-acetyl-D-galactosaminuronic acid", + "names": [ + "UDP-N-acetyl-D-galactosaminuronic acid" + ] + }, + { + "compound_id": "C13958", + "inchi": "InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+", + "name": "12-Nitrolinoleic acid", + "names": [ + "(9Z,12E)-12-Nitrooctadeca-9,12-dienoic acid", + "12-Nitro-9-cis,12-cis-octadecadienoic acid", + "12-Nitrolinoleic acid" + ] + }, + { + "compound_id": "C13962", + "inchi": "InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1/t10-,13-;/m1./s1", + "name": "Chloramphenicol sodium succinate", + "names": [ + "Chloramphenicol sodium succinate" + ] + }, + { + "compound_id": "C13963", + "inchi": "InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1", + "name": "Mevastatin", + "names": [ + "Compactin", + "ML-236B", + "Mevastatin" + ] + }, + { + "compound_id": "C13964", + "inchi": "InChI=1S/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1", + "name": "Fosfomycin calcium", + "names": [ + "Calcium phosphomycin", + "Fosfomycin calcium" + ] + }, + { + "compound_id": "C13967", + "inchi": "InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1", + "name": "Carbenicillin sodium", + "names": [ + "Carbenicillin disodium", + "Carbenicillin sodium" + ] + }, + { + "compound_id": "C13968", + "inchi": "InChI=1S/C18H18N6O5S2.Na/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9;/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29);/q;+1/p-1/t11-,13-,16-;/m1./s1", + "name": "Cefamandole sodium", + "names": [ + "Cefamandole sodium" + ] + }, + { + "compound_id": "C13973", + "inchi": "InChI=1S/C17H20N2O6S.Na.H2O/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);;1H2/q;+1;/p-1/t11-,12+,15-;;/m1../s1", + "name": "Methicillin sodium", + "names": [ + "Methicillin sodium", + "Meticillin sodium", + "Sodium methicillin monohydrate" + ] + }, + { + "compound_id": "C13974", + "inchi": "InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1", + "name": "Vincristine sulfate", + "names": [ + "Vincristine sulfate" + ] + }, + { + "compound_id": "C13976", + "inchi": "InChI=1S/C23H22N2O6S.Na/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14;/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29);/q;+1/p-1/t15?,16-,17+,20-;/m1./s1", + "name": "Carfecillin sodium", + "names": [ + "Carbenicillin phenyl sodium", + "Carfecillin sodium" + ] + }, + { + "compound_id": "C13978", + "inchi": "InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1", + "name": "Talampicillin hydrochloride", + "names": [ + "Talampicillin hydrochloride" + ] + }, + { + "compound_id": "C13980", + "inchi": "InChI=1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1", + "name": "Hetacillin potassium", + "names": [ + "Hetacillin potassium" + ] + }, + { + "compound_id": "C13993", + "inchi": "InChI=1S/C17H18FN3O3.ClH.H2O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;/h7-10,19H,1-6H2,(H,23,24);1H;1H2", + "name": "Ciprofloxacin hydrochloride", + "names": [ + "Ciprofloxacin hydrochloride", + "Ciprofloxacin hydrochloride monohydrate" + ] + }, + { + "compound_id": "C14001", + "inchi": "InChI=1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1", + "name": "Sulbactam sodium", + "names": [ + "Sulbactam sodium" + ] + }, + { + "compound_id": "C14002", + "inchi": "InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1", + "name": "Lincomycin hydrochloride", + "names": [ + "Lincomycin hydrochloride", + "Lincomycin hydrochloride monohydrate" + ] + }, + { + "compound_id": "C14007", + "inchi": "InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1", + "name": "Cefotetan disodium", + "names": [ + "Cefotetan disodium", + "Cefotetan sodium" + ] + }, + { + "compound_id": "C14010", + "inchi": "InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1", + "name": "Sodium cloxacillin monohydrate", + "names": [ + "Cloxacillin sodium", + "Sodium cloxacillin monohydrate" + ] + }, + { + "compound_id": "C14015", + "inchi": "InChI=1S/C17H21NO.C7H6O3/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-6-4-2-1-3-5(6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4,8H,(H,9,10)", + "name": "Diphenhydramine salicylate", + "names": [ + "Diphenhydramine salicylate" + ] + }, + { + "compound_id": "C14021", + "inchi": "InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1", + "name": "Ticarcillin disodium", + "names": [ + "Aerugipen", + "Ticarcillin disodium" + ] + }, + { + "compound_id": "C14029", + "inchi": "InChI=1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-", + "name": "Trimipramine maleate", + "names": [ + "Trimipramine maleate" + ] + }, + { + "compound_id": "C14034", + "inchi": "InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1", + "name": "Piperacillin", + "names": [ + "Piperacillin", + "Piperacillin anhydrous" + ] + }, + { + "compound_id": "C14039", + "inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2", + "name": "1,1-Dichloroethylene", + "names": [ + "1,1-DCE", + "1,1-Dichloroethylene", + "Vinylidene chloride" + ] + }, + { + "compound_id": "C14040", + "inchi": "InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H", + "name": "1-Nitronaphthalene", + "names": [ + "1-Nitronaphthalene" + ] + }, + { + "compound_id": "C14042", + "inchi": "InChI=1S/HI.Na/h1H;/q;+1/p-1", + "name": "Sodium iodide", + "names": [ + "Sodium iodide" + ] + }, + { + "compound_id": "C14043", + "inchi": "InChI=1S/C18H26O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h4,6-7,12,14-17,19H,2-3,5,8-11H2,1H3/t12-,14+,15+,16-,17-/m0/s1", + "name": "ML-236C", + "names": [ + "ML-236C" + ] + }, + { + "compound_id": "C14044", + "inchi": "InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-24(4,5)16-22(27)17-25(23,6)28/h7-14,18,22,27-28H,16-17H2,1-6H3/b8-7+,12-9+,19-10+,20-13+,21-11+/t15?,22-,25+/m0/s1", + "name": "C25-Allenic-apo-aldehyde", + "names": [ + "(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al", + "C25-Allenic-apo-aldehyde" + ] + }, + { + "compound_id": "C14045", + "inchi": "InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1", + "name": "C25-Epoxy-apo-aldehyde", + "names": [ + "(3S,5R,6S)-5,6-Epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al", + "C25-Epoxy-apo-aldehyde" + ] + }, + { + "compound_id": "C14049", + "inchi": "InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1", + "name": "Glycyrrhizinate dipotassium", + "names": [ + "Dipotassium (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-D-gucopyranuronosyl-alpha-D-glucopyranosiduronate", + "Dipotassium glycyrrhizate", + "Glycyrrhizinate dipotassium" + ] + }, + { + "compound_id": "C14053", + "inchi": "InChI=1S/C31H41N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,21-,23-,24+,26+,30?,31+;/m1./s1", + "name": "9,10-Dihydroergocornine methanesulfonate", + "names": [ + "9,10-Dihydroergocornine methanesulfonate" + ] + }, + { + "compound_id": "C14054", + "inchi": "InChI=1S/C32H43N5O5.CH4O3S/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t18-,20+,22+,24+,25-,27-,31?,32-;/m0./s1", + "name": "Dihydro-beta-ergocryptine mesylate", + "names": [ + "Dihydro-beta-ergocryptine mesylate" + ] + }, + { + "compound_id": "C14055", + "inchi": null, + "name": "Dihydroergotoxine mesylate", + "names": [ + "Dihydroergotoxine mesilate", + "Dihydroergotoxine mesylate", + "Ergoloid mesylates" + ] + }, + { + "compound_id": "C14056", + "inchi": "InChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11+,15-13+/t23-,24-,25-,26+,27+,28+,29-,32?,33-,34-,35-,36?,37+,38+,39?,40-/m1/s1", + "name": "Leucomycin A1", + "names": [ + "Leucomycin A1" + ] + }, + { + "compound_id": "C14057", + "inchi": "InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33?,34-,35-,36-,37?,38+,39+,40?,41-/m1/s1", + "name": "Leucomycin A4", + "names": [ + "Leucomycin A4" + ] + }, + { + "compound_id": "C14058", + "inchi": "InChI=1S/C39H65NO14/c1-10-14-29(44)52-37-25(5)50-31(21-39(37,6)47)53-34-24(4)51-38(33(46)32(34)40(7)8)54-35-26(17-18-41)19-22(2)27(42)16-13-11-12-15-23(3)49-30(45)20-28(43)36(35)48-9/h11-13,16,18,22-28,31-38,42-43,46-47H,10,14-15,17,19-21H2,1-9H3/b12-11+,16-13+/t22-,23-,24-,25+,26+,27+,28-,31?,32-,33-,34-,35?,36+,37+,38?,39-/m1/s1", + "name": "Leucomycin A5", + "names": [ + "Leucomycin A5" + ] + }, + { + "compound_id": "C14059", + "inchi": "InChI=1S/C40H65NO15/c1-11-30(45)54-38-25(5)51-32(21-40(38,7)48)55-35-24(4)52-39(34(47)33(35)41(8)9)56-36-27(17-18-42)19-22(2)28(44)16-14-12-13-15-23(3)50-31(46)20-29(37(36)49-10)53-26(6)43/h12-14,16,18,22-25,27-29,32-39,44,47-48H,11,15,17,19-21H2,1-10H3/b13-12+,16-14+/t22-,23-,24-,25+,27+,28+,29-,32?,33-,34-,35-,36?,37+,38+,39?,40-/m1/s1", + "name": "Leucomycin A6", + "names": [ + "Leucomycin A6" + ] + }, + { + "compound_id": "C14060", + "inchi": "InChI=1S/C38H63NO14/c1-10-28(43)51-36-24(5)49-30(20-38(36,6)46)52-33-23(4)50-37(32(45)31(33)39(7)8)53-34-25(16-17-40)18-21(2)26(41)15-13-11-12-14-22(3)48-29(44)19-27(42)35(34)47-9/h11-13,15,17,21-27,30-37,41-42,45-46H,10,14,16,18-20H2,1-9H3/b12-11+,15-13+/t21-,22-,23-,24+,25+,26+,27-,30?,31-,32-,33-,34?,35+,36+,37?,38-/m1/s1", + "name": "Leucomycin A7", + "names": [ + "Leucomycin A7" + ] + }, + { + "compound_id": "C14061", + "inchi": "InChI=1S/C39H63NO15/c1-21-18-27(16-17-41)35(36(48-10)29(52-25(5)42)19-30(45)49-22(2)14-12-11-13-15-28(21)44)55-38-33(46)32(40(8)9)34(23(3)51-38)54-31-20-39(7,47)37(24(4)50-31)53-26(6)43/h11-13,15,17,21-24,27-29,31-38,44,46-47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t21-,22-,23-,24+,27+,28+,29-,31?,32-,33-,34-,35?,36+,37+,38?,39-/m1/s1", + "name": "Leucomycin A8", + "names": [ + "Leucomycin A8" + ] + }, + { + "compound_id": "C14062", + "inchi": "InChI=1S/C37H61NO14/c1-20-17-25(15-16-39)33(34(46-9)27(42)18-28(43)47-21(2)13-11-10-12-14-26(20)41)52-36-31(44)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(23(4)48-29)50-24(5)40/h10-12,14,16,20-23,25-27,29-36,41-42,44-45H,13,15,17-19H2,1-9H3/b11-10+,14-12+/t20-,21-,22-,23+,25+,26+,27-,29?,30-,31-,32-,33?,34+,35+,36?,37-/m1/s1", + "name": "Leucomycin A9", + "names": [ + "Leucomycin A9" + ] + }, + { + "compound_id": "C14063", + "inchi": "InChI=1S/C41H69NO14/c1-10-11-13-18-31(46)54-39-27(5)52-33(23-41(39,6)49)55-36-26(4)53-40(35(48)34(36)42(7)8)56-37-28(19-20-43)21-24(2)29(44)17-15-12-14-16-25(3)51-32(47)22-30(45)38(37)50-9/h12,14-15,17,20,24-30,33-40,44-45,48-49H,10-11,13,16,18-19,21-23H2,1-9H3/b14-12+,17-15+/t24-,25-,26-,27+,28+,29+,30-,33?,34-,35-,36-,37?,38+,39+,40?,41-/m1/s1", + "name": "Leucomycin A13", + "names": [ + "Leucomycin A13" + ] + }, + { + "compound_id": "C14064", + "inchi": null, + "name": "Kitasamycin", + "names": [ + "Kitasamycin" + ] + }, + { + "compound_id": "C14077", + "inchi": "InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)", + "name": "Phthalocyanine", + "names": [ + "29H,31H-Phthalocyanine", + "Phthalocyanine", + "Pigment blue 16" + ] + }, + { + "compound_id": "C14078", + "inchi": "InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2", + "name": "Congo red", + "names": [ + "Congo red", + "Direct red 28", + "Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate" + ] + }, + { + "compound_id": "C14079", + "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1", + "name": "(-)-Catechin", + "names": [ + "(-)-Catechin" + ] + }, + { + "compound_id": "C14081", + "inchi": "InChI=1S/C10H10N2OS.ClH/c1-7-2-3-8(9(13)6-7)12-10-11-4-5-14-10;/h2-6,13H,1H3,(H,11,12);1H", + "name": "CBS 113A", + "names": [ + "CBS 113A" + ] + }, + { + "compound_id": "C14082", + "inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3", + "name": "1-Methylnaphthalene", + "names": [ + "1-Methylnaphthalene", + "alpha-Methylnaphthalene" + ] + }, + { + "compound_id": "C14083", + "inchi": "InChI=1S/C11H12O2/c1-7-3-2-4-8-5-6-9(12)11(13)10(7)8/h2-6,9,11-13H,1H3/t9-,11-/m0/s1", + "name": "cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene", + "names": [ + "cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene" + ] + }, + { + "compound_id": "C14084", + "inchi": "InChI=1S/C11H10O2/c1-7-3-2-4-8-5-6-9(12)11(13)10(7)8/h2-6,12-13H,1H3", + "name": "1,2-Dihydroxy-8-methylnaphthalene", + "names": [ + "1,2-Dihydroxy-8-methylnaphthalene" + ] + }, + { + "compound_id": "C14085", + "inchi": "InChI=1/C11H10O4/c1-7-3-2-4-8-5-6-11(14,10(12)13)15-9(7)8/h2-6,14H,1H3,(H,12,13)/f/h12H", + "name": "2-Hydroxy-8-methylchromene-2-carboxylate", + "names": [ + "2-Hydroxy-8-methylchromene-2-carboxylate" + ] + }, + { + "compound_id": "C14086", + "inchi": "InChI=1S/C11H10O4/c1-7-3-2-4-8(10(7)13)5-6-9(12)11(14)15/h2-6,13H,1H3,(H,14,15)/b6-5+", + "name": "2-Hydroxy-3-methylbenzalpyruvate", + "names": [ + "2-Hydroxy-3-methylbenzalpyruvate" + ] + }, + { + "compound_id": "C14087", + "inchi": "InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3", + "name": "3-Methylsalicylaldehyde", + "names": [ + "2-Hydroxy-3-methylbenzaldehyde", + "3-Methylsalicylaldehyde" + ] + }, + { + "compound_id": "C14088", + "inchi": "InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)", + "name": "3-Methylsalicylate", + "names": [ + "3-Methylsalicylate" + ] + }, + { + "compound_id": "C14089", + "inchi": "InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2", + "name": "1-Hydroxymethylnaphthalene", + "names": [ + "1-Hydroxymethylnaphthalene", + "1-Naphthalenemethanol" + ] + }, + { + "compound_id": "C14090", + "inchi": "InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H", + "name": "1-Naphthaldehyde", + "names": [ + "1-Formylnaphthalene", + "1-Naphthaldehyde" + ] + }, + { + "compound_id": "C14091", + "inchi": "InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)", + "name": "1-Naphthoic acid", + "names": [ + "1-Carboxynaphthalene", + "1-Naphthoic acid", + "alpha-Naphthoic acid" + ] + }, + { + "compound_id": "C14092", + "inchi": "InChI=1S/C11H10O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-5,8,10,12-13H,(H,14,15)/t8-,10-/m0/s1", + "name": "cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene", + "names": [ + "cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene" + ] + }, + { + "compound_id": "C14093", + "inchi": "InChI=1S/C11H8O4/c12-8-5-4-6-2-1-3-7(11(14)15)9(6)10(8)13/h1-5,12-13H,(H,14,15)", + "name": "1,2-Dihydroxy-8-carboxynaphthalene", + "names": [ + "1,2-Dihydroxy-8-carboxynaphthalene", + "7,8-Dihydroxy-1-naphthalenecarboxylic acid" + ] + }, + { + "compound_id": "C14094", + "inchi": "InChI=1S/C11H8O6/c12-9(13)7-3-1-2-6-4-5-11(16,10(14)15)17-8(6)7/h1-5,16H,(H,12,13)(H,14,15)", + "name": "2-Carboxy-2-hydroxy-8-carboxychromene", + "names": [ + "2-Carboxy-2-hydroxy-8-carboxychromene" + ] + }, + { + "compound_id": "C14095", + "inchi": "InChI=1S/C11H8O6/c12-8(11(16)17)5-4-6-2-1-3-7(9(6)13)10(14)15/h1-5,13H,(H,14,15)(H,16,17)/b5-4+", + "name": "2-Hydroxy-3-carboxybenzalpyruvate", + "names": [ + "2-Hydroxy-3-carboxybenzalpyruvate", + "3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid" + ] + }, + { + "compound_id": "C14096", + "inchi": "InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)", + "name": "3-Formylsalicylic acid", + "names": [ + "2-Hydroxyisophthalaldehydic acid", + "3-Formylsalicylic acid" + ] + }, + { + "compound_id": "C14097", + "inchi": "InChI=1S/C8H6O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)", + "name": "2-Hydroxyisophthalic acid", + "names": [ + "1,3-Benzenedicarboxylic acid, 2-hydroxy-", + "2-Hydroxy-1,3-benzenedicarboxylic acid", + "2-Hydroxyisophthalic acid" + ] + }, + { + "compound_id": "C14098", + "inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3", + "name": "2-Methylnaphthalene", + "names": [ + "2-Methylnaphthalene", + "beta-Methylnaphthalene" + ] + }, + { + "compound_id": "C14099", + "inchi": "InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H", + "name": "2-Naphthaldehyde", + "names": [ + "2-Naphthaldehyde", + "2-Naphthalenecarboxaldehyde" + ] + }, + { + "compound_id": "C14100", + "inchi": "InChI=1S/C8H6O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H,(H,11,12)", + "name": "4-Formylsalicylic acid", + "names": [ + "4-Formyl-2-hydroxybenzoic acid", + "4-Formylsalicylic acid" + ] + }, + { + "compound_id": "C14101", + "inchi": "InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)", + "name": "2-Naphthoic acid", + "names": [ + "2-Naphthalenecarboxylic acid", + "2-Naphthoic acid", + "beta-Naphthoic acid" + ] + }, + { + "compound_id": "C14102", + "inchi": "InChI=1S/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1", + "name": "cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene", + "names": [ + "cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene" + ] + }, + { + "compound_id": "C14103", + "inchi": "InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)", + "name": "4-Methylsalicylate", + "names": [ + "2-Hydroxy-4-methylbenzoic acid", + "4-Methylsalicylate", + "m-Cresotic acid" + ] + }, + { + "compound_id": "C14104", + "inchi": "InChI=1S/C11H12O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,10-14H,6H2/t10-,11+/m0/s1", + "name": "cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene", + "names": [ + "cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene" + ] + }, + { + "compound_id": "C14105", + "inchi": "InChI=1S/C11H10O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,12-14H,6H2", + "name": "1,2-Dihydroxy-7-hydroxymethylnaphthalene", + "names": [ + "1,2-Dihydroxy-7-hydroxymethylnaphthalene" + ] + }, + { + "compound_id": "C14106", + "inchi": "InChI=1S/C11H10O5/c12-6-7-1-2-8-3-4-11(15,10(13)14)16-9(8)5-7/h1-5,12,15H,6H2,(H,13,14)", + "name": "2-Hydroxy-7-hydroxymethylchromene-2-carboxylate", + "names": [ + "2-Hydroxy-7-hydroxymethylchromene-2-carboxylate" + ] + }, + { + "compound_id": "C14107", + "inchi": "InChI=1S/C11H10O5/c12-6-7-1-2-8(10(14)5-7)3-4-9(13)11(15)16/h1-5,12,14H,6H2,(H,15,16)/b4-3+", + "name": "2-Hydroxy-4-hydroxymethylbenzalpyruvate", + "names": [ + "2-Hydroxy-4-hydroxymethylbenzalpyruvate" + ] + }, + { + "compound_id": "C14108", + "inchi": "InChI=1S/C8H8O3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,9,11H,4H2", + "name": "4-Hydroxymethylsalicylaldehyde", + "names": [ + "2-Hydroxy-4-hydroxymethyl-benzaldehyde", + "4-Hydroxymethylsalicylaldehyde" + ] + }, + { + "compound_id": "C14109", + "inchi": "InChI=1S/C8H8O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2,(H,11,12)", + "name": "4-Hydroxymethylsalicylate", + "names": [ + "2-Hydroxy-4-hydroxymethylbenzoic acid", + "4-Hydroxymethylsalicylate" + ] + }, + { + "compound_id": "C14110", + "inchi": "InChI=1S/C7H8O3/c8-4-5-1-2-6(9)7(10)3-5/h1-3,8-10H,4H2", + "name": "4-Hydroxymethylcatechol", + "names": [ + "4-Hydroxymethylcatechol" + ] + }, + { + "compound_id": "C14111", + "inchi": "InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)", + "name": "5,6,7,8-Tetrahydro-2-naphthoic acid", + "names": [ + "5,6,7,8-Tetrahydro-2-naphthoic acid" + ] + }, + { + "compound_id": "C14112", + "inchi": "InChI=1S/C9H14O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h6-7H,1-5H2,(H,10,11)(H,12,13)/t6-,7-/m0/s1", + "name": "cis-2-Carboxycyclohexyl-acetic acid", + "names": [ + "cis-2-Carboxycyclohexyl-acetic acid" + ] + }, + { + "compound_id": "C14113", + "inchi": "InChI=1S/C11H18O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2,(H,12,13)", + "name": "Decahydro-2-naphthoic acid", + "names": [ + "Decahydro-2-naphthalenecarboxylic acid", + "Decahydro-2-naphthoic acid" + ] + }, + { + "compound_id": "C14114", + "inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2", + "name": "Tetralin", + "names": [ + "1,2,3,4-Tetrahydronaphthalene", + "Tetralin" + ] + }, + { + "compound_id": "C14115", + "inchi": "InChI=1S/C15H14O4/c16-14(17)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,16,17)(H,18,19)", + "name": "2-Naphtylmethylsuccinic acid", + "names": [ + "2-Naphtylmethylsuccinic acid", + "Naphthyl-2-methyl-succinic acid" + ] + }, + { + "compound_id": "C14116", + "inchi": "InChI=1S/C36H48N7O19P3S/c1-36(2,30(48)33(49)39-10-9-25(44)38-11-12-66-35(50)23(15-26(45)46)14-20-7-8-21-5-3-4-6-22(21)13-20)17-59-65(56,57)62-64(54,55)58-16-24-29(61-63(51,52)53)28(47)34(60-24)43-19-42-27-31(37)40-18-41-32(27)43/h3-8,13,18-19,23-24,28-30,34,47-48H,9-12,14-17H2,1-2H3,(H,38,44)(H,39,49)(H,45,46)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/t23?,24-,28-,29-,30?,34-/m1/s1", + "name": "Naphthyl-2-methyl-succinyl-CoA", + "names": [ + "Naphthyl-2-methyl-succinyl-CoA" + ] + }, + { + "compound_id": "C14117", + "inchi": "InChI=1S/C36H46N7O19P3S/c1-36(2,30(48)33(49)39-10-9-25(44)38-11-12-66-35(50)23(15-26(45)46)14-20-7-8-21-5-3-4-6-22(21)13-20)17-59-65(56,57)62-64(54,55)58-16-24-29(61-63(51,52)53)28(47)34(60-24)43-19-42-27-31(37)40-18-41-32(27)43/h3-8,13-14,18-19,24,28-30,34,47-48H,9-12,15-17H2,1-2H3,(H,38,44)(H,39,49)(H,45,46)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/b23-14+/t24-,28-,29-,30?,34-/m1/s1", + "name": "Naphthyl-2-methylene-succinyl-CoA", + "names": [ + "Naphthyl-2-methylene-succinyl-CoA" + ] + }, + { + "compound_id": "C14118", + "inchi": "InChI=1S/C36H48N7O20P3S/c1-36(2,30(49)33(50)39-10-9-24(44)38-11-12-67-35(51)22(14-25(45)46)27(47)21-8-7-19-5-3-4-6-20(19)13-21)16-60-66(57,58)63-65(55,56)59-15-23-29(62-64(52,53)54)28(48)34(61-23)43-18-42-26-31(37)40-17-41-32(26)43/h3-8,13,17-18,22-23,27-30,34,47-49H,9-12,14-16H2,1-2H3,(H,38,44)(H,39,50)(H,45,46)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t22?,23-,27?,28-,29-,30?,34-/m1/s1", + "name": "Naphthyl-2-hydroxymethyl-succinyl CoA", + "names": [ + "Naphthyl-2-hydroxymethyl-succinyl CoA" + ] + }, + { + "compound_id": "C14119", + "inchi": "InChI=1S/C36H46N7O20P3S/c1-36(2,30(49)33(50)39-10-9-24(44)38-11-12-67-35(51)22(14-25(45)46)27(47)21-8-7-19-5-3-4-6-20(19)13-21)16-60-66(57,58)63-65(55,56)59-15-23-29(62-64(52,53)54)28(48)34(61-23)43-18-42-26-31(37)40-17-41-32(26)43/h3-8,13,17-18,22-23,28-30,34,48-49H,9-12,14-16H2,1-2H3,(H,38,44)(H,39,50)(H,45,46)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t22?,23-,28-,29-,30?,34-/m1/s1", + "name": "Naphthyl-2-oxomethyl-succinyl-CoA", + "names": [ + "Naphthyl-2-oxomethyl-succinyl-CoA" + ] + }, + { + "compound_id": "C14120", + "inchi": "InChI=1S/C32H42N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h3-8,13,16-17,21,24-26,30,41-42H,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,24-,25-,26?,30-/m1/s1", + "name": "2-Naphthoyl-CoA", + "names": [ + "2-Naphthoyl-CoA" + ] + }, + { + "compound_id": "C14122", + "inchi": "InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1", + "name": "R207910", + "names": [ + "1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol", + "R207910" + ] + }, + { + "compound_id": "C14123", + "inchi": "InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)", + "name": "BMS-268770", + "names": [ + "BMS-268770" + ] + }, + { + "compound_id": "C14125", + "inchi": "InChI=1S/C26H37N5O5S2/c1-17(2)22-23(37-26(29-22)31-14-10-19(11-15-31)18-8-12-27-13-9-18)24(32)28-16-21(25(33)34)30-38(35,36)20-6-4-3-5-7-20/h3-7,17-19,21,27,30H,8-16H2,1-2H3,(H,28,32)(H,33,34)/t21-/m0/s1", + "name": "UR-12947", + "names": [ + "UR-12947" + ] + }, + { + "compound_id": "C14126", + "inchi": "InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)", + "name": "Ro 61-8048", + "names": [ + "Ro 61-8048" + ] + }, + { + "compound_id": "C14127", + "inchi": "InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)", + "name": "Acotiamide", + "names": [ + "Acotiamide", + "MZ-338" + ] + }, + { + "compound_id": "C14128", + "inchi": "InChI=1S/C14H9Cl2N3S/c15-10-2-1-9(7-11(10)16)12-13(20-14(17)19-12)8-3-5-18-6-4-8/h1-7H,(H2,17,19)", + "name": "CGH 2466", + "names": [ + "CGH 2466" + ] + }, + { + "compound_id": "C14129", + "inchi": "InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1", + "name": "SSR 125543", + "names": [ + "SSR 125543" + ] + }, + { + "compound_id": "C14130", + "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3", + "name": "2-tert-Butylphenol", + "names": [ + "2-tert-Butylphenol" + ] + }, + { + "compound_id": "C14131", + "inchi": "InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1", + "name": "Equol", + "names": [ + "Equol" + ] + }, + { + "compound_id": "C14132", + "inchi": "InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3", + "name": "4-Octylphenol", + "names": [ + "4-Octylphenol", + "4-n-Octylphenol", + "p-Octylphenol" + ] + }, + { + "compound_id": "C14133", + "inchi": "InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H", + "name": "2,2-(2-Chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene", + "names": [ + "1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethylene", + "2,2-(2-Chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene", + "2,4'-DDE", + "o,p'-DDE" + ] + }, + { + "compound_id": "C14134", + "inchi": "InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H", + "name": "Triphenylethylene", + "names": [ + "Triphenylethylene" + ] + }, + { + "compound_id": "C14135", + "inchi": "InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3", + "name": "4,4'-Methylenebis(N,N-dimethylaniline)", + "names": [ + "4,4'-Methylenebis(N,N-dimethylaniline)", + "Michler's base" + ] + }, + { + "compound_id": "C14136", + "inchi": "InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H", + "name": "1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane", + "names": [ + "1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane", + "HPTE", + "p,p'-Hydroxy-DDT" + ] + }, + { + "compound_id": "C14137", + "inchi": "InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H", + "name": "6-Hydroxyflavone", + "names": [ + "6-Hydroxy-2-phenyl-4-benzopyrone", + "6-Hydroxyflavone" + ] + }, + { + "compound_id": "C14138", + "inchi": "InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3", + "name": "2-sec-Butylphenol", + "names": [ + "2-(1-Methylpropyl)phenol", + "2-sec-Butylphenol" + ] + }, + { + "compound_id": "C14139", + "inchi": "InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3", + "name": "4-sec-Butylphenol", + "names": [ + "1-Hydroxy-4-sec-butylbenzene", + "4-(1-Methylpropyl)phenol", + "4-sec-Butylphenol" + ] + }, + { + "compound_id": "C14142", + "inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3", + "name": "sec-Butylbenzene", + "names": [ + "(1-Methylpropyl)benzene", + "2-Phenylbutane", + "sec-Butylbenzene" + ] + }, + { + "compound_id": "C14143", + "inchi": "InChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,20-,21-,22?,26-/m1/s1", + "name": "Adipyl-CoA", + "names": [ + "5-Carboxypentanoyl-CoA", + "Adipyl-CoA" + ] + }, + { + "compound_id": "C14144", + "inchi": "InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22?,26-/m1/s1", + "name": "5-Carboxy-2-pentenoyl-CoA", + "names": [ + "5-Carboxy-2-pentenoyl-CoA" + ] + }, + { + "compound_id": "C14145", + "inchi": "InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,15+,20+,21+,22?,26+/m0/s1", + "name": "(3S)-3-Hydroxyadipyl-CoA", + "names": [ + "(3S)-3-Hydroxyadipyl-CoA" + ] + }, + { + "compound_id": "C14146", + "inchi": "InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", + "name": "alpha-Zeacarotene", + "names": [ + "alpha-Zeacarotene" + ] + }, + { + "compound_id": "C14147", + "inchi": "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)", + "name": "Cyromazine", + "names": [ + "2-Cyclopropylamino-4,6-diamino-s-triazine", + "Cyclopropylmelamine", + "Cyromazine" + ] + }, + { + "compound_id": "C14148", + "inchi": "InChI=1S/C6H9N5O/c7-4-9-5(8-3-1-2-3)11-6(12)10-4/h3H,1-2H2,(H4,7,8,9,10,11,12)", + "name": "N-Cyclopropylammeline", + "names": [ + "2-Hydroxy-4-amino-6-(cyclopropylamino)-1,3,5-triazine", + "N-Cyclopropylammeline" + ] + }, + { + "compound_id": "C14149", + "inchi": "InChI=1S/C6H8N4O2/c11-5-8-4(7-3-1-2-3)9-6(12)10-5/h3H,1-2H2,(H3,7,8,9,10,11,12)", + "name": "N-Cyclopropylammelide", + "names": [ + "2,4-Dihydroxy-6-(cyclopropylamino)-1,3,5-triazine", + "N-Cyclopropylammelide" + ] + }, + { + "compound_id": "C14150", + "inchi": "InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2", + "name": "Cyclopropylamine", + "names": [ + "Cyclopropylamine" + ] + }, + { + "compound_id": "C14151", + "inchi": "InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1", + "name": "delta-Tocopherol", + "names": [ + "delta-Tocopherol" + ] + }, + { + "compound_id": "C14152", + "inchi": "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21?,22?,28-/m1/s1", + "name": "beta-Tocopherol", + "names": [ + "beta-Tocopherol" + ] + }, + { + "compound_id": "C14153", + "inchi": "InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1", + "name": "alpha-Tocotrienol", + "names": [ + "alpha-Tocotrienol" + ] + }, + { + "compound_id": "C14154", + "inchi": "InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1", + "name": "beta-Tocotrienol", + "names": [ + "beta-Tocotrienol" + ] + }, + { + "compound_id": "C14155", + "inchi": "InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1", + "name": "gamma-Tocotrienol", + "names": [ + "gamma-Tocotrienol" + ] + }, + { + "compound_id": "C14156", + "inchi": "InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1", + "name": "delta-Tocotrienol", + "names": [ + "delta-Tocotrienol" + ] + }, + { + "compound_id": "C14157", + "inchi": "InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-27(22,6)14-12-24-26(5)13-11-21(29)15-20(26)16-25(30)28(23,24)31/h7-8,16-19,21-25,29-31H,9-15H2,1-6H3/b8-7+/t18?,19-,21+,22-,23-,24-,25+,26+,27-,28-/m1/s1", + "name": "Stylisterol A", + "names": [ + "Stylisterol A" + ] + }, + { + "compound_id": "C14158", + "inchi": "InChI=1S/C28H46O4/c1-17(2)18(3)6-7-19(4)22-8-9-23-26(22,5)12-11-24-27(16-29)13-10-21(30)14-20(27)15-25(31)28(23,24)32/h6-7,15,17-19,21-25,29-32H,8-14,16H2,1-5H3/b7-6+/t18?,19-,21+,22-,23-,24-,25+,26-,27-,28-/m1/s1", + "name": "Stylisterol B", + "names": [ + "Stylisterol B" + ] + }, + { + "compound_id": "C14159", + "inchi": "InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-24-22(12-14-27(20,21)5)28(6)13-11-19(29)15-23(28)25(30)26(24)31/h7-8,15-22,24-26,29-31H,9-14H2,1-6H3/b8-7+/t17?,18-,19+,20-,21+,22+,24+,25+,26+,27-,28-/m1/s1", + "name": "Stylisterol C", + "names": [ + "Stylisterol C" + ] + }, + { + "compound_id": "C14160", + "inchi": "InChI=1S/C28H46O3/c1-16(2)17(3)6-7-18(4)20-8-9-21-23-22(11-12-26(20,21)5)27-13-10-19(29)14-28(27,15-27)25(31)24(23)30/h6-7,16-25,29-31H,8-15H2,1-5H3/b7-6+/t17?,18-,19+,20-,21+,22+,23+,24+,25-,26-,27+,28-/m1/s1", + "name": "Hatomasterol", + "names": [ + "Hatomasterol" + ] + }, + { + "compound_id": "C14161", + "inchi": "InChI=1S/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)/t11-,12+,13+,14-,15-,18-,19-,20+/m1/s1", + "name": "Gibberellin A37", + "names": [ + "Gibberellin A37" + ] + }, + { + "compound_id": "C14162", + "inchi": "InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1", + "name": "Gibberellin A15", + "names": [ + "Gibberellin A15" + ] + }, + { + "compound_id": "C14163", + "inchi": "InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H", + "name": "Phenyl salicylate", + "names": [ + "Phenyl salicylate" + ] + }, + { + "compound_id": "C14164", + "inchi": "InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)", + "name": "Acetrizoic acid", + "names": [ + "Acetrizoic acid" + ] + }, + { + "compound_id": "C14165", + "inchi": "InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)", + "name": "Metrizoic acid", + "names": [ + "Metrizoic acid" + ] + }, + { + "compound_id": "C14166", + "inchi": "InChI=1S/C19H27NO4/c1-17(2)12-19(16(22)23-6,13-18(3,4)20(17)5)24-15(21)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3", + "name": "alpha-Eucaine", + "names": [ + "alpha-Eucaine" + ] + }, + { + "compound_id": "C14167", + "inchi": "InChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3", + "name": "beta-Eucaine", + "names": [ + "beta-Eucaine" + ] + }, + { + "compound_id": "C14168", + "inchi": "InChI=1S/C12H17NO2/c1-13(2)9-6-10-15-12(14)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3", + "name": "3-(Dimethylamino)propyl benzoate", + "names": [ + "3-(Dimethylamino)propyl benzoate" + ] + }, + { + "compound_id": "C14169", + "inchi": "InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3", + "name": "Stovaine", + "names": [ + "Stovaine" + ] + }, + { + "compound_id": "C14170", + "inchi": "InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3", + "name": "p-Aminosalicylic acid methyl ester", + "names": [ + "p-Aminosalicylic acid methyl ester" + ] + }, + { + "compound_id": "C14171", + "inchi": "InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3", + "name": "Orthoform", + "names": [ + "Orthocaine", + "Orthoform" + ] + }, + { + "compound_id": "C14172", + "inchi": "InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3", + "name": "Hexylcaine", + "names": [ + "Hexylcaine" + ] + }, + { + "compound_id": "C14173", + "inchi": "InChI=1S/C16H23NO2/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3", + "name": "Piperocaine", + "names": [ + "Metycaine", + "Piperocaine" + ] + }, + { + "compound_id": "C14174", + "inchi": "InChI=1S/C20H25NO2/c1-4-21(5-2)16(3)19(17-12-8-6-9-13-17)23-20(22)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3", + "name": "Allocain-S", + "names": [ + "Allocain-S" + ] + }, + { + "compound_id": "C14175", + "inchi": "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3", + "name": "Diethyl phthalate", + "names": [ + "Diethyl 1,2-benzenedicarboxylate", + "Diethyl phthalate" + ] + }, + { + "compound_id": "C14176", + "inchi": "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2", + "name": "Chlordane", + "names": [ + "1,2,4,5,6,7,10,10-Octachloro-4,7,8,9-tetrahydro-4,7-methyleneindane", + "Chlordane" + ] + }, + { + "compound_id": "C14177", + "inchi": "InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1", + "name": "Lombricine", + "names": [ + "L-Lombricine", + "Lombricine" + ] + }, + { + "compound_id": "C14178", + "inchi": "InChI=1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/t4-/m0/s1", + "name": "N-Phospholombricine", + "names": [ + "N-Phospho-L-lombricine", + "N-Phospholombricine", + "n-w-phospholombricine" + ] + }, + { + "compound_id": "C14179", + "inchi": "InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)", + "name": "Sulfoacetate", + "names": [ + "Sulfoacetate", + "Sulfoacetic acid" + ] + }, + { + "compound_id": "C14180", + "inchi": "InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1", + "name": "S-(Hydroxymethyl)glutathione", + "names": [ + "S-(Hydroxymethyl)glutathione" + ] + }, + { + "compound_id": "C14181", + "inchi": "InChI=1S/C7H6N2O2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H,(H2,8,10,11)", + "name": "2-Benzothiazolesulfonamide", + "names": [ + "2-Benzothiazolesulfonamide" + ] + }, + { + "compound_id": "C14182", + "inchi": "InChI=1S/C6H8N2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)", + "name": "m-Benzenedisulfonamide", + "names": [ + "m-Benzenedisulfonamide" + ] + }, + { + "compound_id": "C14183", + "inchi": "InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14+,15-,16-,18-/m0/s1", + "name": "Compactin diol lactone", + "names": [ + "Compactin diol lactone", + "ML-236A" + ] + }, + { + "compound_id": "C14184", + "inchi": "InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18", + "name": "Mirex", + "names": [ + "Mirex" + ] + }, + { + "compound_id": "C14185", + "inchi": "InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H", + "name": "Heptachlor", + "names": [ + "Heptachlor", + "Heptachlorane" + ] + }, + { + "compound_id": "C14186", + "inchi": "InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)", + "name": "Prometon", + "names": [ + "2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine", + "Prometon" + ] + }, + { + "compound_id": "C14187", + "inchi": "InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H", + "name": "1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane", + "names": [ + "1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane", + "2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane", + "o,p'-DDT" + ] + }, + { + "compound_id": "C14188", + "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3", + "name": "3-tert-Butylphenol", + "names": [ + "3-tert-Butylphenol" + ] + }, + { + "compound_id": "C14189", + "inchi": "InChI=1S/C12H7Cl3O/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6,16H", + "name": "2,4,6-Trichloro-4'-biphenylol", + "names": [ + "2,4,6-Trichloro-4'-biphenylol", + "4-Hydroxy-2',4',6'-trichlorobiphenyl" + ] + }, + { + "compound_id": "C14190", + "inchi": "InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-1-3-7(17)4-2-6/h1-5,17H", + "name": "2,3,4,5-Tetrachloro-4'-biphenylol", + "names": [ + "2,3,4,5-Tetrachloro-4'-biphenylol", + "4-Hydroxy-2',3',4'-5'-tetrachlorobiphenyl" + ] + }, + { + "compound_id": "C14191", + "inchi": "InChI=1S/C12H9ClO2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,14-15H", + "name": "2-Chloro-4,4'-biphenyldiol", + "names": [ + "2-Chloro-(1,1'-biphenyl)-4,4'-diol", + "2-Chloro-4,4'-biphenyldiol" + ] + }, + { + "compound_id": "C14192", + "inchi": "InChI=1S/C12H8Cl2O/c13-10-2-1-3-11(14)12(10)8-4-6-9(15)7-5-8/h1-7,15H", + "name": "2,6-Dichloro-4'-biphenylol", + "names": [ + "2',6'-Dichloro-(1,1'-biphenyl)-4-ol", + "2,6-Dichloro-4'-biphenylol" + ] + }, + { + "compound_id": "C14193", + "inchi": "InChI=1S/C12H8Cl2O/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h1-7,15H", + "name": "2,5-Dichloro-4'-biphenylol", + "names": [ + "2',5'-Dichloro-(1,1'-biphenyl)-4-ol", + "2,5-Dichloro-4'-biphenylol" + ] + }, + { + "compound_id": "C14194", + "inchi": "InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H", + "name": "3,3',5,5'-Tetrachloro-4,4'-biphenyldiol", + "names": [ + "3,3',5,5'-Tetrachloro-4,4'-biphenyldiol" + ] + }, + { + "compound_id": "C14195", + "inchi": "InChI=1S/C12H9ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H", + "name": "4-Chloro-4'-biphenylol", + "names": [ + "4-Chloro-4'-biphenylol", + "4-Chloro-4'-hydroxybiphenyl" + ] + }, + { + "compound_id": "C14196", + "inchi": "InChI=1S/C12H6Cl4O2/c13-8-7(5-1-3-6(17)4-2-5)9(14)11(16)12(18)10(8)15/h1-4,17-18H", + "name": "2,3,5,6-Tetrachloro-4,4'-biphenyldiol", + "names": [ + "2,3,5,6-Tetrachloro-4,4'-biphenyldiol" + ] + }, + { + "compound_id": "C14197", + "inchi": "InChI=1S/C12H4Cl6O/c13-4-1-2-5(14)10(16)8(4)9-6(15)3-7(19)11(17)12(9)18/h1-3,19H", + "name": "2,2',3,3',6,6'-Hexachloro-4-biphenylol", + "names": [ + "2,2',3,3',6,6'-Hexachloro-4-biphenylol", + "4-Hydroxy-PCB 136" + ] + }, + { + "compound_id": "C14198", + "inchi": "InChI=1S/C12H4Cl6O/c13-4-1-5(14)9(6(15)2-4)10-7(16)3-8(19)11(17)12(10)18/h1-3,19H", + "name": "2,2'3,4',6,6'-Hexachloro-4-biphenylol", + "names": [ + "2,2'3,4',6,6'-Hexachloro-4-biphenylol" + ] + }, + { + "compound_id": "C14199", + "inchi": "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H", + "name": "2,2',5,5'-Tetrachlorobiphenyl", + "names": [ + "2,2',5,5'-TCB", + "2,2',5,5'-Tetrachlorobiphenyl", + "PCB 52" + ] + }, + { + "compound_id": "C14200", + "inchi": "InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3", + "name": "4-tert-Butylphenol", + "names": [ + "4-tert-Butylphenol", + "Butylphen" + ] + }, + { + "compound_id": "C14201", + "inchi": "InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H", + "name": "2,2',4,4',5,5'-Hexachlorobiphenyl", + "names": [ + "2,2',4,4',5,5'-Hexachlorobiphenyl", + "PCB 153" + ] + }, + { + "compound_id": "C14202", + "inchi": "InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H", + "name": "2,2',4,4',6,6'-Hexachlorobiphenyl", + "names": [ + "2,2',4,4',6,6'-Hexachlorobiphenyl", + "PCB 155" + ] + }, + { + "compound_id": "C14203", + "inchi": "InChI=1S/C12H4Cl6O/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3,19H", + "name": "2,2',3,3',5,5'-Hexachloro-6-biphenylol", + "names": [ + "2,2',3,3',5,5'-Hexachloro-6-biphenylol" + ] + }, + { + "compound_id": "C14204", + "inchi": "InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)", + "name": "Hydroxyflutamide", + "names": [ + "Hydroxyflutamide" + ] + }, + { + "compound_id": "C14205", + "inchi": "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3", + "name": "4-tert-Octylphenol", + "names": [ + "4-(1,1,3,3-Tetramethylbutyl)phenol", + "4-t-Octylphenol", + "4-tert-Octylphenol" + ] + }, + { + "compound_id": "C14206", + "inchi": "InChI=1S/C12H11Cl2NO4/c1-3-12(2,10(16)17)19-11(18)15-9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3,(H,15,18)(H,16,17)", + "name": "M1", + "names": [ + "2-(((3,5-Dichlorophenyl)carbamoyl)oxy)-2-methyl-3-butenoic acid", + "M1" + ] + }, + { + "compound_id": "C14207", + "inchi": "InChI=1S/C11H11Cl2NO2/c1-3-11(2,16)10(15)14-9-5-7(12)4-8(13)6-9/h3-6,16H,1H2,2H3,(H,14,15)", + "name": "M2", + "names": [ + "3',5'-Dichloro-2-hydroxy-2-methylbut-3-enanilide", + "M2", + "N-(3,5-Dichlorophenyl)-2-hydroxy-2-methyl-3-butenamide" + ] + }, + { + "compound_id": "C14208", + "inchi": "InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1", + "name": "Promegestone", + "names": [ + "Promegestone" + ] + }, + { + "compound_id": "C14209", + "inchi": "InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1", + "name": "4-Hydroxyestradiol-17beta", + "names": [ + "4-Hydroxyestradiol-17beta", + "4-OH-Estradiol" + ] + }, + { + "compound_id": "C14210", + "inchi": "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "4-Androstenediol", + "names": [ + "4-Androstenediol", + "Androst-4-ene-3beta,17beta-diol" + ] + }, + { + "compound_id": "C14211", + "inchi": "InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3", + "name": "Butylbenzyl phthalate", + "names": [ + "Butyl phenylmethyl 1,2-benzenedicarboxylate", + "Butylbenzyl phthalate" + ] + }, + { + "compound_id": "C14212", + "inchi": "InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3", + "name": "Nafoxidine", + "names": [ + "Nafoxidine" + ] + }, + { + "compound_id": "C14213", + "inchi": "InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H", + "name": "Aurin", + "names": [ + "Aurin" + ] + }, + { + "compound_id": "C14214", + "inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3", + "name": "Dibutyl phthalate", + "names": [ + "Di-n-butyl phthalate", + "Dibutyl 1,2-benzenedicarboxylate", + "Dibutyl phthalate" + ] + }, + { + "compound_id": "C14215", + "inchi": "InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H", + "name": "2,4-Dihydroxybenzophenone", + "names": [ + "2,4-Dihydroxybenzophenone" + ] + }, + { + "compound_id": "C14216", + "inchi": "InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H", + "name": "4,4'-Sulfonyldiphenol", + "names": [ + "1,1'-Sulfonylbis(4-hydroxybenzene)", + "4,4'-Sulfonyldiphenol", + "Bisphenol S" + ] + }, + { + "compound_id": "C14217", + "inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3", + "name": "1,6-Dimethylnaphthalene", + "names": [ + "1,6-Dimethylnaphthalene" + ] + }, + { + "compound_id": "C14218", + "inchi": "InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2", + "name": "Octane-1,8-diol", + "names": [ + "1,8-Octanediol", + "Octane-1,8-diol" + ] + }, + { + "compound_id": "C14219", + "inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H", + "name": "2-Chlorophenol", + "names": [ + "2-Chloro-1-hydroxybenzene", + "2-Chlorophenol" + ] + }, + { + "compound_id": "C14220", + "inchi": "InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H", + "name": "4,4'-Dihydroxybenzophenone", + "names": [ + "4,4'-Dihydroxybenzophenone" + ] + }, + { + "compound_id": "C14221", + "inchi": "InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2", + "name": "6-Hydroxyflavanone", + "names": [ + "6-Hydroxyflavanone" + ] + }, + { + "compound_id": "C14222", + "inchi": "InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H", + "name": "Chrysene", + "names": [ + "1,2-Benzophenanthrene", + "Benz[a]phenanthrene", + "Chrysene" + ] + }, + { + "compound_id": "C14223", + "inchi": "InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)", + "name": "Phenolphthalin", + "names": [ + "Phenolphthalin" + ] + }, + { + "compound_id": "C14224", + "inchi": "InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H", + "name": "4-Hydroxybiphenyl", + "names": [ + "4-Hydroxybiphenyl", + "4-Phenylphenol" + ] + }, + { + "compound_id": "C14225", + "inchi": "InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3", + "name": "Bisphenol B", + "names": [ + "2,2-Bis(4-hydroxyphenyl)butane", + "4,4'-Dihydroxy-2,2-diphenylbutane", + "Bisphenol B" + ] + }, + { + "compound_id": "C14226", + "inchi": "InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3", + "name": "p-tert-Amylphenol", + "names": [ + "4-t-Amylphenol", + "4-tert-Pentylphenol", + "p-tert-Amylphenol" + ] + }, + { + "compound_id": "C14227", + "inchi": "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3", + "name": "Di-n-octyl phthalate", + "names": [ + "Bis(n-octyl) phthalate", + "Di-n-octyl phthalate", + "Dioctyl 1,2-benzenedicarboxylate" + ] + }, + { + "compound_id": "C14228", + "inchi": "InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3", + "name": "Parathion-methyl", + "names": [ + "Methyl parathion", + "Methylparathion", + "Parathion-methyl" + ] + }, + { + "compound_id": "C14229", + "inchi": "InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)", + "name": "Propanil", + "names": [ + "DCPA", + "N-(3,4-Dichlorophenyl)propanamide", + "Propanil" + ] + }, + { + "compound_id": "C14230", + "inchi": "InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H", + "name": "4-Hydroxybenzophenone", + "names": [ + "(4-Hydroxyphenyl)phenylmethanone", + "4-Hydroxybenzophenone" + ] + }, + { + "compound_id": "C14231", + "inchi": "InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+", + "name": "4-Hydroxychalcone", + "names": [ + "4-Hydroxychalcone" + ] + }, + { + "compound_id": "C14232", + "inchi": "InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+", + "name": "4'-Hydroxychalcone", + "names": [ + "4'-Hydroxychalcone" + ] + }, + { + "compound_id": "C14233", + "inchi": "InChI=1S/C14H12O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+", + "name": "4,4'-Dihydroxystilbene", + "names": [ + "4,4'-Dihydroxystilbene" + ] + }, + { + "compound_id": "C14234", + "inchi": "InChI=1S/C16H16O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-10,17-18H,1-2H3/b12-11+", + "name": "Dimethylstilbestrol", + "names": [ + "(E)-4,4'-(1,2-Dimethyl-1,2-ethenediyl)bisphenol", + "Dimethylstilbestrol" + ] + }, + { + "compound_id": "C14235", + "inchi": "InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H", + "name": "Triphenyl phosphate", + "names": [ + "Triphenyl phosphate" + ] + }, + { + "compound_id": "C14236", + "inchi": "InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3", + "name": "4-Heptyloxyphenol", + "names": [ + "4-Heptyloxyphenol", + "p-n-Heptyloxyphenol" + ] + }, + { + "compound_id": "C14237", + "inchi": "InChI=1S/C15H12Cl2O2/c1-19-13-8-4-11(5-9-13)14(15(16)17)10-2-6-12(18)7-3-10/h2-9,18H,1H3", + "name": "4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol", + "names": [ + "4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol", + "Monohydroxymethoxychlor olefin" + ] + }, + { + "compound_id": "C14238", + "inchi": "InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H", + "name": "1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene", + "names": [ + "1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene", + "4,4'-(Dichloroethenylidene)bis[phenol]", + "Dihydroxymethoxychlor olefin" + ] + }, + { + "compound_id": "C14239", + "inchi": "InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1", + "name": "3-Deoxyestradiol", + "names": [ + "3-Deoxy-17beta-estradiol", + "3-Deoxyestradiol" + ] + }, + { + "compound_id": "C14240", + "inchi": "InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3", + "name": "Di(2-ethylhexyl) adipate", + "names": [ + "Di(2-ethylhexyl) adipate", + "Diethylhexyl adipate", + "Dioctyl adipate" + ] + }, + { + "compound_id": "C14241", + "inchi": "InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2", + "name": "4'-Hydroxyflavanone", + "names": [ + "2,3-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one", + "4'-Hydroxyflavanone" + ] + }, + { + "compound_id": "C14242", + "inchi": "InChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1", + "name": "Mytatrienediol", + "names": [ + "16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol", + "17-alpha-Methylestriol 3-methyl ether", + "Mytatrienediol" + ] + }, + { + "compound_id": "C14243", + "inchi": "InChI=1S/C18H22O4/c1-3-13(11-5-7-15(19)17(21)9-11)14(4-2)12-6-8-16(20)18(22)10-12/h5-10,13-14,19-22H,3-4H2,1-2H3", + "name": "3,3'-Dihydroxyhexestrol", + "names": [ + "3,3'-Dihydroxyhexestrol", + "4,4'-(1,2-Diethylethylene)dipyrocatechol" + ] + }, + { + "compound_id": "C14244", + "inchi": "InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2", + "name": "4-(Benzyloxyl)phenol", + "names": [ + "4-(Benzyloxyl)phenol", + "4-(Phenylmethoxy)phenol", + "Monobenzone" + ] + }, + { + "compound_id": "C14245", + "inchi": "InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3", + "name": "4-Dodecylphenol", + "names": [ + "4-Dodecylphenol" + ] + }, + { + "compound_id": "C14246", + "inchi": "InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H", + "name": "2,4'-Dichlorobiphenyl", + "names": [ + "2,4'-Dichlorobiphenyl", + "PCB 8" + ] + }, + { + "compound_id": "C14247", + "inchi": "InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H", + "name": "2,2',4,4'-Tetrachlorobiphenyl", + "names": [ + "2,2',4,4'-Tetrachlorobiphenyl", + "PCB 47" + ] + }, + { + "compound_id": "C14248", + "inchi": "InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H", + "name": "4,4'-Dichlorobiphenyl", + "names": [ + "4,4'-Dichlorobiphenyl", + "PCB 15" + ] + }, + { + "compound_id": "C14249", + "inchi": "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1", + "name": "Norethynodrel", + "names": [ + "Norethynodrel" + ] + }, + { + "compound_id": "C14250", + "inchi": "InChI=1S/C16H14Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3", + "name": "p,p'-Methoxychlor olefin", + "names": [ + "1,1-Bis(p-methoxyphenyl)-2,2-dichloroethylene", + "1,1-Dichloro-2,2-bis(p-methoxyphenyl)ethylene", + "p,p'-Methoxychlor olefin" + ] + }, + { + "compound_id": "C14251", + "inchi": "InChI=1S/C16H22OSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3", + "name": "1,3-Diphenyltetramethyldisiloxane", + "names": [ + "1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane", + "1,3-Diphenyltetramethyldisiloxane" + ] + }, + { + "compound_id": "C14252", + "inchi": "InChI=1S/C18H26OSi2/c1-20(2,15-17-11-7-5-8-12-17)19-21(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3", + "name": "1,3-Dibenzyltetramethyldisiloxane", + "names": [ + "1,3-Dibenzyltetramethyldisiloxane" + ] + }, + { + "compound_id": "C14253", + "inchi": "InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3", + "name": "Dibutyl adipate", + "names": [ + "Di-n-butyl adipate", + "Dibutyl adipate" + ] + }, + { + "compound_id": "C14254", + "inchi": "InChI=1S/C19H32O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", + "name": "5alpha-Androstan-17beta-ol", + "names": [ + "5alpha-Androstan-17beta-ol", + "Androstan-17-ol" + ] + }, + { + "compound_id": "C14255", + "inchi": "InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1", + "name": "Mibolerone", + "names": [ + "17-beta-Hydroxy-7-alpha,17-dimethylestr-4-en-3-one", + "Mibolerone" + ] + }, + { + "compound_id": "C14256", + "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1", + "name": "11-Keto-testosterone", + "names": [ + "11-Keto-testosterone", + "17beta-Hydroxyandrost-4-ene-3,11-dione" + ] + }, + { + "compound_id": "C14257", + "inchi": "InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1", + "name": "Methyltrienolone", + "names": [ + "17-beta-Hydroxy-17-methylestra-4,9,11-trien-3-one", + "Methyltrienolone", + "Metribolone" + ] + }, + { + "compound_id": "C14258", + "inchi": "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3", + "name": "p-Cumylphenol", + "names": [ + "2-Phenyl-2-(4-hydroxyphenyl)propane", + "p-Cumylphenol" + ] + }, + { + "compound_id": "C14259", + "inchi": "InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1", + "name": "Stanolone benzoate", + "names": [ + "DHT benzoate", + "Dihydrotestosterone benzoate", + "Stanolone benzoate" + ] + }, + { + "compound_id": "C14260", + "inchi": "InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3", + "name": "Diisobutyl adipate", + "names": [ + "Diisobutyl adipate" + ] + }, + { + "compound_id": "C14261", + "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1", + "name": "Trenbolone", + "names": [ + "17-beta-Hydroxyestra-4,9,11-trien-3-one", + "Trenbolone" + ] + }, + { + "compound_id": "C14262", + "inchi": "InChI=1S/C11H15NO3/c1-3-15-10-6-4-9(5-7-10)12-11(14)8(2)13/h4-8,13H,3H2,1-2H3,(H,12,14)", + "name": "p-Lactophenetide", + "names": [ + "4'-Ethoxylactanilide", + "Lactylphenetidin", + "p-Lactophenetide" + ] + }, + { + "compound_id": "C14263", + "inchi": "InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2", + "name": "N-Benzylphthalimide", + "names": [ + "2-Benzylisoindole-1,3-dione", + "N-Benzylphthalimide" + ] + }, + { + "compound_id": "C14264", + "inchi": "InChI=1S/C15H11NO3/c17-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)15(16)19/h1-8,17H,9H2", + "name": "2-(4-Hydroxybenzyl)isoindole-1,3-dione", + "names": [ + "2-(4-Hydroxybenzyl)isoindole-1,3-dione" + ] + }, + { + "compound_id": "C14265", + "inchi": "InChI=1S/C15H10N2O4/c18-14-12-3-1-2-4-13(12)15(19)16(14)9-10-5-7-11(8-6-10)17(20)21/h1-8H,9H2", + "name": "N-(p-Nitrobenzyl)phthalimide", + "names": [ + "2-(4-Nitrobenzyl)isoindole-1,3-dione", + "N-(p-Nitrobenzyl)phthalimide" + ] + }, + { + "compound_id": "C14266", + "inchi": "InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)", + "name": "p-Chloroacetoacetanilide", + "names": [ + "4'-Chloroacetoacetanilide", + "p-Chloroacetoacetanilide" + ] + }, + { + "compound_id": "C14267", + "inchi": "InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H", + "name": "2,6-Dihydroxyanthraquinone", + "names": [ + "2,6-Dihydroxyanthraquinone" + ] + }, + { + "compound_id": "C14268", + "inchi": "InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H", + "name": "Fenpiclonil", + "names": [ + "3-(2,3-Dichlorophenyl)-4-cyanopyrrole", + "Fenpiclonil" + ] + }, + { + "compound_id": "C14269", + "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11,13-14,17H,3-10H2,1-2H3/t11-,13-,14-,17+,18-,19-/m0/s1", + "name": "5alpha-Androstane-3,11,17-trione", + "names": [ + "5alpha-Androstane-3,11,17-trione" + ] + }, + { + "compound_id": "C14270", + "inchi": "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H", + "name": "3-Chlorophenol", + "names": [ + "3-Chlorophenol" + ] + }, + { + "compound_id": "C14271", + "inchi": "InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3", + "name": "Ethohexadiol", + "names": [ + "2-Ethyl-1,3-hexanediol", + "Ethohexadiol" + ] + }, + { + "compound_id": "C14272", + "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3", + "name": "1-Octen-3-ol", + "names": [ + "1-Octen-3-ol" + ] + }, + { + "compound_id": "C14273", + "inchi": "InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3", + "name": "1,2-Octanediol", + "names": [ + "1,2-Dihydroxyoctane", + "1,2-Octanediol" + ] + }, + { + "compound_id": "C14274", + "inchi": "InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)", + "name": "4-Heptyloxybenzoic acid", + "names": [ + "4-Heptyloxybenzoic acid" + ] + }, + { + "compound_id": "C14275", + "inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H", + "name": "Furan", + "names": [ + "Furan" + ] + }, + { + "compound_id": "C14276", + "inchi": "InChI=1S/C24H24O/c25-24-13-11-20(12-14-24)23-16-21(18-7-3-1-4-8-18)15-22(17-23)19-9-5-2-6-10-19/h1-14,21-23,25H,15-17H2", + "name": "4-(3,5-Diphenylcyclohexyl)phenol", + "names": [ + "4-(3,5-Diphenylcyclohexyl)phenol" + ] + }, + { + "compound_id": "C14277", + "inchi": "InChI=1S/C16H16O/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2", + "name": "3,4-Diphenyltetrahydrofuran", + "names": [ + "3,4-Diphenyltetrahydrofuran" + ] + }, + { + "compound_id": "C14278", + "inchi": "InChI=1S/C21H20/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,1H3", + "name": "1,1,2-Triphenylpropane", + "names": [ + "1,1,2-Triphenylpropane" + ] + }, + { + "compound_id": "C14279", + "inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H", + "name": "Furfural", + "names": [ + "2-Furaldehyde", + "Furfural" + ] + }, + { + "compound_id": "C14280", + "inchi": "InChI=1S/C9H14O3/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3", + "name": "Furfural diethyl acetal", + "names": [ + "Furfural diethyl acetal" + ] + }, + { + "compound_id": "C14281", + "inchi": "InChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H", + "name": "5-Nitrofurfural", + "names": [ + "5-Nitro-2-furaldehyde", + "5-Nitro-2-furfural", + "5-Nitrofurfural" + ] + }, + { + "compound_id": "C14282", + "inchi": "InChI=1S/C4H3O.ClH.Hg/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1", + "name": "2-Furylmercury chloride", + "names": [ + "2-Furylmercury chloride" + ] + }, + { + "compound_id": "C14283", + "inchi": "InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3", + "name": "2,2'-Dihydroxy-4-methoxybenzophenone", + "names": [ + "2,2'-Dihydroxy-4-methoxybenzophenone", + "Dioxybenzone" + ] + }, + { + "compound_id": "C14284", + "inchi": "InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H", + "name": "2,2'-Dihydroxybenzophenone", + "names": [ + "2,2'-Dihydroxybenzophenone" + ] + }, + { + "compound_id": "C14285", + "inchi": "InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3", + "name": "2-Hydroxy-4-methoxybenzophenone", + "names": [ + "2-Hydroxy-4-methoxybenzophenone", + "Oxybenzone" + ] + }, + { + "compound_id": "C14286", + "inchi": "InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H", + "name": "Phenolphthalein", + "names": [ + "3,3-Bis(4-hydroxyphenyl)phthalide", + "Phenolphthalein" + ] + }, + { + "compound_id": "C14287", + "inchi": "InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3", + "name": "4,4'-Methylenebis(2,6-di-tert-butylphenol)", + "names": [ + "4,4'-Methylenebis(2,6-di-tert-butylphenol)" + ] + }, + { + "compound_id": "C14288", + "inchi": "InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2", + "name": "4,4'-Methylenedianiline", + "names": [ + "4,4'-Diaminodiphenylmethane", + "4,4'-Methylenedianiline" + ] + }, + { + "compound_id": "C14289", + "inchi": "InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2", + "name": "Dibenzo-18-crown-6", + "names": [ + "Dibenzo-18-crown-6" + ] + }, + { + "compound_id": "C14290", + "inchi": "InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2", + "name": "7-Hydroxyflavanone", + "names": [ + "7-Hydroxyflavanone" + ] + }, + { + "compound_id": "C14291", + "inchi": "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)", + "name": "Carbofuran", + "names": [ + "2,2-Dimethyl-2,3-dihydro-7-benzofuranyl N-methylcarbamate", + "Carbofuran" + ] + }, + { + "compound_id": "C14292", + "inchi": "InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2", + "name": "Dichlorophen", + "names": [ + "2,2'-Methylenebis(4-chlorophenol)", + "Dichlorophen" + ] + }, + { + "compound_id": "C14293", + "inchi": "InChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3", + "name": "5-Nitro-2-furfuryl methyl ether", + "names": [ + "5-Nitro-2-furfuryl methyl ether", + "NF 45" + ] + }, + { + "compound_id": "C14294", + "inchi": "InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)", + "name": "Diphenolic acid", + "names": [ + "4,4-Bis(4-hydroxyphenyl)pentanoic acid", + "Diphenolic acid" + ] + }, + { + "compound_id": "C14295", + "inchi": "InChI=1S/C13H16N2O8S.H2O/c1-5(16)8-10(18)15-9(12(19)23-4-22-6(2)17)7(24-11(8)15)3-21-13(14)20;/h5,8,11,16H,3-4H2,1-2H3,(H2,14,20);1H2/t5-,8-,11-;/m1./s1", + "name": "Ritipenem acoxil hydrate", + "names": [ + "FC/TA-891", + "Penemac", + "Ritipenem acoxil hydrate" + ] + }, + { + "compound_id": "C14296", + "inchi": "InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+", + "name": "Droloxifene", + "names": [ + "3-Hydroxytamoxifen", + "Droloxifene" + ] + }, + { + "compound_id": "C14297", + "inchi": "InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H", + "name": "4,4'-Dihydroxybiphenyl", + "names": [ + "4,4'-Biphenyldiol", + "4,4'-Dihydroxybiphenyl" + ] + }, + { + "compound_id": "C14298", + "inchi": "InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2", + "name": "Bis(4-hydroxyphenyl)methane", + "names": [ + "4,4'-Dihydroxydiphenylmethane", + "Bis(4-hydroxyphenyl)methane", + "Bisphenol F" + ] + }, + { + "compound_id": "C14299", + "inchi": "InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)", + "name": "Cyanazine", + "names": [ + "Cyanazine" + ] + }, + { + "compound_id": "C14300", + "inchi": "InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3", + "name": "Di-n-pentyl phthalate", + "names": [ + "Di-n-pentyl phthalate", + "Diamyl phthalate" + ] + }, + { + "compound_id": "C14301", + "inchi": "InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H", + "name": "Dicofol", + "names": [ + "Dicofol", + "Kelthane" + ] + }, + { + "compound_id": "C14302", + "inchi": "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3", + "name": "Dinoseb", + "names": [ + "2,4-Dinitro-6-(1-methylpropyl)phenol", + "Dinoseb" + ] + }, + { + "compound_id": "C14303", + "inchi": "InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1", + "name": "Equilenin", + "names": [ + "3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one", + "Equilenin" + ] + }, + { + "compound_id": "C14304", + "inchi": "InChI=1S/C12H8N4O5/c13-12-15-14-11(21-12)8(9-2-1-5-19-9)6-7-3-4-10(20-7)16(17)18/h1-6H,(H2,13,15)/b8-6+", + "name": "Furamizole", + "names": [ + "Furamizole", + "NF 161" + ] + }, + { + "compound_id": "C14305", + "inchi": "InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3", + "name": "4-Hexyloxyphenol", + "names": [ + "4-Hexyloxyphenol" + ] + }, + { + "compound_id": "C14306", + "inchi": "InChI=1S/C7H6N2O4/c8-6(10)3-1-5-2-4-7(13-5)9(11)12/h1-4H,(H2,8,10)/b3-1+", + "name": "Nitrofurylacrylamide", + "names": [ + "Nitrofurylacrylamide", + "Z-Furan" + ] + }, + { + "compound_id": "C14307", + "inchi": "InChI=1S/C19H25ClO2/c1-19-9-12(10-20)18-14-5-3-13(21)8-11(14)2-4-15(18)16(19)6-7-17(19)22/h3,5,8,12,15-18,21-22H,2,4,6-7,9-10H2,1H3/t12-,15+,16+,17+,18-,19+/m1/s1", + "name": "11beta-Chloromethylestradiol", + "names": [ + "11beta-Chloromethylestradiol", + "Org 4333" + ] + }, + { + "compound_id": "C14308", + "inchi": "InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+", + "name": "Methoprene", + "names": [ + "(E,E)-1-Methylethyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate", + "Methoprene" + ] + }, + { + "compound_id": "C14309", + "inchi": "InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2", + "name": "5,6,7,8-Tetrahydro-2-naphthol", + "names": [ + "5,6,7,8-Tetrahydro-2-naphthol" + ] + }, + { + "compound_id": "C14310", + "inchi": "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)", + "name": "Picloram", + "names": [ + "4-Amino-3,5,6-trichloropyridine-2-carboxylic acid", + "Picloram" + ] + }, + { + "compound_id": "C14311", + "inchi": "InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3", + "name": "4-Propylphenol", + "names": [ + "4-Propylphenol" + ] + }, + { + "compound_id": "C14312", + "inchi": "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)", + "name": "Propazine", + "names": [ + "2-Chloro-4,6-bis(isopropylamino)-1,3,5-triazine", + "Propazine" + ] + }, + { + "compound_id": "C14313", + "inchi": "InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H", + "name": "3',4',7-Trihydroxyisoflavone", + "names": [ + "3',4',7-Trihydroxyisoflavone" + ] + }, + { + "compound_id": "C14314", + "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H", + "name": "4',6,7-Trihydroxyisoflavone", + "names": [ + "4',6,7-Trihydroxyisoflavone", + "6-Hydroxydaidzein" + ] + }, + { + "compound_id": "C14315", + "inchi": "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H", + "name": "Anthracene", + "names": [ + "Anthracene" + ] + }, + { + "compound_id": "C14316", + "inchi": "InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)", + "name": "SB 218655", + "names": [ + "SB 218655" + ] + }, + { + "compound_id": "C14317", + "inchi": "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H", + "name": "Benz[a]anthracene", + "names": [ + "1,2-Benzanthracene", + "Benz[a]anthracene" + ] + }, + { + "compound_id": "C14318", + "inchi": "InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H", + "name": "Benzo[ghi]perylene", + "names": [ + "1,12-Benzoperylene", + "Benzo[ghi]perylene" + ] + }, + { + "compound_id": "C14319", + "inchi": "InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)", + "name": "SR 141716", + "names": [ + "Rimonabant", + "SR 141716" + ] + }, + { + "compound_id": "C14320", + "inchi": "InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H", + "name": "Benzo[b]fluoranthene", + "names": [ + "3,4-Benzfluoranthene", + "Benzo[b]fluoranthene" + ] + }, + { + "compound_id": "C14321", + "inchi": "InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H", + "name": "Benzo[k]fluoranthene", + "names": [ + "11,12-Benzofluoranthene", + "Benzo[k]fluoranthene" + ] + }, + { + "compound_id": "C14322", + "inchi": "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3", + "name": "Chlorpyrifos", + "names": [ + "Chlorpyrifos", + "Chlorpyriphos" + ] + }, + { + "compound_id": "C14323", + "inchi": "InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3", + "name": "Butylate", + "names": [ + "Butylate", + "S-Ethyl N,N-diisobutylthiocarbamate", + "Sutan" + ] + }, + { + "compound_id": "C14324", + "inchi": "InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3", + "name": "Diazinon", + "names": [ + "Diazinon" + ] + }, + { + "compound_id": "C14325", + "inchi": "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H", + "name": "Dibenz[a,h]anthracene", + "names": [ + "1,2:5,6-Dibenzanthracene", + "Dibenz[a,h]anthracene" + ] + }, + { + "compound_id": "C14326", + "inchi": "InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)", + "name": "Dimethoate", + "names": [ + "Dimethoate" + ] + }, + { + "compound_id": "C14327", + "inchi": "InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H", + "name": "Heptachlor epoxide", + "names": [ + "Heptachlor epoxide" + ] + }, + { + "compound_id": "C14328", + "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", + "name": "1,2-Dichlorobenzene", + "names": [ + "1,2-Dichlorobenzene", + "o-Dichlorobenzene" + ] + }, + { + "compound_id": "C14329", + "inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3", + "name": "1,2-Dimethylnaphthalene", + "names": [ + "1,2-Dimethylnaphthalene" + ] + }, + { + "compound_id": "C14330", + "inchi": "InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3", + "name": "2,6-Dimethylnaphthalene", + "names": [ + "2,6-Dimethylnaphthalene" + ] + }, + { + "compound_id": "C14331", + "inchi": "InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3", + "name": "4-Chloro-m-cresol", + "names": [ + "4-Chloro-3-methylphenol", + "4-Chloro-m-cresol", + "Chlorocresol" + ] + }, + { + "compound_id": "C14332", + "inchi": "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3", + "name": "Metribuzin", + "names": [ + "Metribuzin" + ] + }, + { + "compound_id": "C14333", + "inchi": "InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)", + "name": "Propyzamide", + "names": [ + "3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide", + "Pronamide", + "Propyzamide" + ] + }, + { + "compound_id": "C14334", + "inchi": "InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)", + "name": "Propoxur", + "names": [ + "2-Isopropoxyphenyl N-methylcarbamate", + "Aprocarb", + "Propoxur" + ] + }, + { + "compound_id": "C14335", + "inchi": "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H", + "name": "Pyrene", + "names": [ + "Pyrene" + ] + }, + { + "compound_id": "C14336", + "inchi": "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2", + "name": "1,2-Dibromo-3-chloropropane", + "names": [ + "1,2-Dibromo-3-chloropropane", + "DBCP" + ] + }, + { + "compound_id": "C14337", + "inchi": "InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3", + "name": "Bioallethrin", + "names": [ + "Allethrin", + "Bioallethrin", + "Pynamin" + ] + }, + { + "compound_id": "C14338", + "inchi": "InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9", + "name": "Quintozene", + "names": [ + "PCNB", + "Pentachloronitrobenzene", + "Quintozene" + ] + }, + { + "compound_id": "C14339", + "inchi": "InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3", + "name": "3,3'-Dimethylbisphenol A", + "names": [ + "2,2-Bis(4-hydroxy-3-methylphenyl)propane", + "3,3'-Dimethylbisphenol A" + ] + }, + { + "compound_id": "C14340", + "inchi": "InChI=1S/C14H14O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,15H,6-7H2", + "name": "4-(2-Phenylethyl)phenol", + "names": [ + "4-(2-Phenylethyl)phenol", + "4-Phenethylphenol" + ] + }, + { + "compound_id": "C14341", + "inchi": "InChI=1S/C14H14O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,15-16H,1-2H2", + "name": "4,4'-Dihydroxybibenzyl", + "names": [ + "4,4'-(1,2-Ethanediyl)bisphenol", + "4,4'-Dihydroxybibenzyl" + ] + }, + { + "compound_id": "C14342", + "inchi": "InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H", + "name": "3-Hydroxybiphenyl", + "names": [ + "3-Hydroxybiphenyl", + "3-Phenylphenol" + ] + }, + { + "compound_id": "C14343", + "inchi": "InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3", + "name": "Trifluralin", + "names": [ + "2,6-Dinitro-N,N-dipropyl-4-trifluoromethylaniline", + "Trifluralin" + ] + }, + { + "compound_id": "C14344", + "inchi": "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,16-17H", + "name": "4',6-Dihydroxyflavone", + "names": [ + "4',6-Dihydroxyflavone" + ] + }, + { + "compound_id": "C14345", + "inchi": "InChI=1S/C23H24O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h7-14H,1,3H2,2,4-6H3", + "name": "Bisphenol A dimethacrylate", + "names": [ + "2,2-Di(4-methacryloxyphenyl)propane", + "Bisphenol A dimethacrylate" + ] + }, + { + "compound_id": "C14346", + "inchi": "InChI=1S/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3", + "name": "Bisphenol A bis(chloroformate)", + "names": [ + "2,2-Bis[p-(chloroformyloxy)phenyl]propane", + "Bisphenol A bis(chloroformate)" + ] + }, + { + "compound_id": "C14347", + "inchi": "InChI=1S/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3", + "name": "Bisphenol A bis(2-hydroxyethyl)ether", + "names": [ + "2,2-Bis[4-(2-hydroxyethoxy)phenyl]propane", + "Bisphenol A bis(2-hydroxyethyl)ether", + "Bisphenol A ethoxylate" + ] + }, + { + "compound_id": "C14348", + "inchi": "InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3", + "name": "Bisphenol A diglycidyl ether", + "names": [ + "2,2-Bis(4-glycidyloxyphenyl)propane", + "Bisphenol A diglycidyl ether" + ] + }, + { + "compound_id": "C14349", + "inchi": "InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3", + "name": "1,1-Bis(4-hydroxyphenyl)ethane", + "names": [ + "1,1-Bis(4-hydroxyphenyl)ethane", + "Bisphenol E" + ] + }, + { + "compound_id": "C14350", + "inchi": "InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H", + "name": "2,2-Bis(4-hydroxyphenyl)hexafluoropropane", + "names": [ + "2,2-Bis(4-hydroxyphenyl)hexafluoropropane", + "Bisphenol AF" + ] + }, + { + "compound_id": "C14351", + "inchi": "InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3", + "name": "4-Butoxyphenol", + "names": [ + "4-Butoxyphenol" + ] + }, + { + "compound_id": "C14352", + "inchi": "InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H", + "name": "6-Bromo-2-naphthol", + "names": [ + "6-Bromo-2-naphthol" + ] + }, + { + "compound_id": "C14353", + "inchi": "InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H", + "name": "2-Chlorobiphenyl", + "names": [ + "2-Chlorobiphenyl", + "2-Monochlorobiphenyl", + "PCB 1" + ] + }, + { + "compound_id": "C14354", + "inchi": "InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H", + "name": "2,5-Dichlorobiphenyl", + "names": [ + "2,5-Dichlorobiphenyl", + "PCB 9" + ] + }, + { + "compound_id": "C14355", + "inchi": "InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H", + "name": "2,6-Dichlorobiphenyl", + "names": [ + "2,6-Dichlorobiphenyl", + "PCB 10" + ] + }, + { + "compound_id": "C14356", + "inchi": "InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H", + "name": "3,5-Dichlorobiphenyl", + "names": [ + "3,5-Dichlorobiphenyl", + "PCB 14" + ] + }, + { + "compound_id": "C14357", + "inchi": "InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H", + "name": "2,3,4-Trichlorobiphenyl", + "names": [ + "2,3,4-Trichlorobiphenyl", + "PCB 21" + ] + }, + { + "compound_id": "C14358", + "inchi": "InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H", + "name": "2,3',5-Trichlorobiphenyl", + "names": [ + "2,3',5-Trichlorobiphenyl", + "PCB 26" + ] + }, + { + "compound_id": "C14359", + "inchi": "InChI=1S/C12H7Cl3/c13-9-6-7-10(14)12(15)11(9)8-4-2-1-3-5-8/h1-7H", + "name": "2,3,6-Trichlorobiphenyl", + "names": [ + "2,3,6-Trichlorobiphenyl", + "PCB 24" + ] + }, + { + "compound_id": "C14360", + "inchi": "InChI=1S/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H", + "name": "2,2',4,5-Tetrachlorobiphenyl", + "names": [ + "2,2',4,5-Tetrachlorobiphenyl", + "PCB 48" + ] + }, + { + "compound_id": "C14361", + "inchi": "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-6-10(14)12(16)11(9)15/h1-6H", + "name": "2,3,4,4'-Tetrachlorobiphenyl", + "names": [ + "2,3,4,4'-Tetrachlorobiphenyl", + "PCB 60" + ] + }, + { + "compound_id": "C14362", + "inchi": "InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H", + "name": "2,3,4,5-Tetrachlorobiphenyl", + "names": [ + "2,3,4,5-Tetrachlorobiphenyl", + "PCB 61" + ] + }, + { + "compound_id": "C14363", + "inchi": "InChI=1S/C12H6Cl4/c13-8-6-9(14)12(16)10(11(8)15)7-4-2-1-3-5-7/h1-6H", + "name": "2,3,5,6-Tetrachlorobiphenyl", + "names": [ + "2,3,5,6-Tetrachlorobiphenyl", + "PCB 65" + ] + }, + { + "compound_id": "C14364", + "inchi": "InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/h1-6H", + "name": "2,4,4',6-Tetrachlorobiphenyl", + "names": [ + "2,4,4',6-Tetrachlorobiphenyl", + "PCB 75" + ] + }, + { + "compound_id": "C14365", + "inchi": "InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H", + "name": "2,3,3',4,5-Pentachlorobiphenyl", + "names": [ + "2,3,3',4,5-Pentachlorobiphenyl", + "PCB 106" + ] + }, + { + "compound_id": "C14366", + "inchi": "InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H", + "name": "2,3,4,5,6-Pentachlorobiphenyl", + "names": [ + "2,3,4,5,6-Pentachlorobiphenyl", + "PCB 116" + ] + }, + { + "compound_id": "C14367", + "inchi": "InChI=1S/C12H4Cl6/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4H", + "name": "2,2',3,3',5,5'-Hexachlorobiphenyl", + "names": [ + "2,2',3,3',5,5'-Hexachlorobiphenyl", + "PCB 133" + ] + }, + { + "compound_id": "C14368", + "inchi": "InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16", + "name": "Decachlorobiphenyl", + "names": [ + "Decachlorobiphenyl", + "PCB 209" + ] + }, + { + "compound_id": "C14369", + "inchi": "InChI=1S/C12H4Cl6/c13-5-1-3-7(15)11(17)9(5)10-6(14)2-4-8(16)12(10)18/h1-4H", + "name": "2,2',3,3',6,6'-Hexachlorobiphenyl", + "names": [ + "2,2',3,3',6,6'-Hexachlorobiphenyl", + "PCB 136" + ] + }, + { + "compound_id": "C14370", + "inchi": "InChI=1S/C12H8Cl2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H", + "name": "2-Hydroxy-3,5-dichlorobiphenyl", + "names": [ + "2,4-Dichloro-6-phenylphenol", + "2-Hydroxy-3,5-dichlorobiphenyl", + "3,5-Dichloro-2-hydroxybiphenyl" + ] + }, + { + "compound_id": "C14371", + "inchi": "InChI=1S/C12H8Cl2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H", + "name": "4-Hydroxy-3,5-dichlorobiphenyl", + "names": [ + "3,5-Dichloro-4-hydroxybiphenyl", + "4-Hydroxy-3,5-dichlorobiphenyl" + ] + }, + { + "compound_id": "C14372", + "inchi": "InChI=1S/C12H5Cl5O/c13-5-1-2-9(18)6(3-5)7-4-8(14)11(16)12(17)10(7)15/h1-4,18H", + "name": "2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl", + "names": [ + "2',3',4',5,5'-Pentachloro-2-hydroxybiphenyl", + "2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14373", + "inchi": "InChI=1S/C12H5Cl5O/c13-8-3-5(18)1-2-6(8)7-4-9(14)11(16)12(17)10(7)15/h1-4,18H", + "name": "4-Hydroxy-2,2',3',4',5'-pentachlorobiphenyl", + "names": [ + "2,2',3',4',5'-Pentachloro-4-biphenylol", + "4-Hydroxy-2,2',3',4',5'-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14374", + "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-5(18)1-2-6(7)10-8(14)4-9(15)11(16)12(10)17/h1-4,18H", + "name": "4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl", + "names": [ + "2,2',3',4',6'-Pentachloro-4-biphenylol", + "4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14375", + "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-5(18)1-2-6(7)10-11(16)8(14)4-9(15)12(10)17/h1-4,18H", + "name": "4-Hydroxy-2,2',3',5',6'-pentachlorobiphenyl", + "names": [ + "2,2',3',5',6'-Pentachloro-4-biphenylol", + "4-Hydroxy-2,2',3',5',6'-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14376", + "inchi": "InChI=1S/C12H6Cl4O/c13-6-3-10(15)12(11(16)4-6)8-2-1-7(17)5-9(8)14/h1-5,17H", + "name": "4-Hydroxy-2,2',4',6'-tetrachlorobiphenyl", + "names": [ + "2,2',4',6'-Tetrachloro-4-biphenylol", + "4-Hydroxy-2,2',4',6'-tetrachlorobiphenyl" + ] + }, + { + "compound_id": "C14377", + "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-5(1-2-9(7)18)6-4-8(14)11(16)12(17)10(6)15/h1-4,18H", + "name": "4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl", + "names": [ + "2',3,3',4',5'-Pentachloro-4-biphenylol", + "4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl", + "4-Hydroxy-PCB 106" + ] + }, + { + "compound_id": "C14378", + "inchi": "InChI=1S/C12H5Cl5O/c13-6-3-5(1-2-9(6)18)10-7(14)4-8(15)11(16)12(10)17/h1-4,18H", + "name": "4-Hydroxy-2',3,3',4',6'-pentachlorobiphenyl", + "names": [ + "2',3,3',4',6'-Pentachloro-4-biphenylol", + "4-Hydroxy-2',3,3',4',6'-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14379", + "inchi": "InChI=1S/C12H5Cl5O/c13-6-3-5(1-2-9(6)18)10-11(16)7(14)4-8(15)12(10)17/h1-4,18H", + "name": "4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl", + "names": [ + "2',3,3',5',6'-Pentachloro-4-biphenylol", + "4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14380", + "inchi": "InChI=1S/C12H6Cl4O/c13-7-4-9(15)12(10(16)5-7)6-1-2-11(17)8(14)3-6/h1-5,17H", + "name": "4-Hydroxy-2',3,4',6'-tetrachlorobiphenyl", + "names": [ + "2',3,4',6'-Tetrachloro-4-biphenylol", + "4-Hydroxy-2',3,4',6'-tetrachlorobiphenyl" + ] + }, + { + "compound_id": "C14381", + "inchi": "InChI=1S/C12H5Cl5O/c13-7-2-1-5(3-8(7)14)6-4-9(15)12(18)11(17)10(6)16/h1-4,18H", + "name": "4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl", + "names": [ + "2,3,3',4',5-Pentachloro-4-biphenylol", + "4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14382", + "inchi": "InChI=1S/C12H3Cl7O/c13-4-2-6(15)5(14)1-3(4)7-8(16)10(18)12(20)11(19)9(7)17/h1-2,20H", + "name": "4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl", + "names": [ + "2,2',3,4',5,5',6-Heptachloro-4-biphenylol", + "4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl", + "4-Hydroxy-PCB 187" + ] + }, + { + "compound_id": "C14383", + "inchi": "InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1", + "name": "16-Ketoestradiol", + "names": [ + "16-Ketoestradiol", + "16-Oxo-17beta-estradiol" + ] + }, + { + "compound_id": "C14384", + "inchi": "InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2", + "name": "Benzo[b]fluorene", + "names": [ + "2,3-Benzofluorene", + "Benzo[b]fluorene" + ] + }, + { + "compound_id": "C14385", + "inchi": "InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3", + "name": "2-Ethylphenol", + "names": [ + "2-Ethylphenol", + "o-Ethylphenol" + ] + }, + { + "compound_id": "C14386", + "inchi": "InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3", + "name": "3-Ethylphenol", + "names": [ + "3-Ethylphenol" + ] + }, + { + "compound_id": "C14387", + "inchi": "InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3", + "name": "Phenothrin", + "names": [ + "Phenothrin", + "Sumithrin" + ] + }, + { + "compound_id": "C14388", + "inchi": "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1", + "name": "Permethrin", + "names": [ + "Permethrin" + ] + }, + { + "compound_id": "C14389", + "inchi": "InChI=1S/C15H13Cl3O2/c1-20-13-8-4-11(5-9-13)14(15(16,17)18)10-2-6-12(19)7-3-10/h2-9,14,19H,1H3", + "name": "1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane", + "names": [ + "1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane", + "Monohydroxymethoxychlor" + ] + }, + { + "compound_id": "C14390", + "inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3", + "name": "Heptanal", + "names": [ + "Heptanal", + "n-Heptaldehyde" + ] + }, + { + "compound_id": "C14391", + "inchi": "InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+", + "name": "Diethylstilbestrol dimethyl ether", + "names": [ + "(E)-1,1'-(1,2-Diethyl-1,2-ethenediyl)bis(4-methoxybenzene)", + "Diethylstilbestrol dimethyl ether" + ] + }, + { + "compound_id": "C14392", + "inchi": "InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1", + "name": "Equilin", + "names": [ + "Equilin" + ] + }, + { + "compound_id": "C14393", + "inchi": "InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2", + "name": "Benzyl parahydroxybenzoate", + "names": [ + "Benzyl 4-hydroxybenzoate", + "Benzyl parahydroxybenzoate", + "Benzylparaben" + ] + }, + { + "compound_id": "C14394", + "inchi": "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3", + "name": "4-Nitrotoluene", + "names": [ + "1-Methyl-4-nitrobenzene", + "4-Nitrotoluene" + ] + }, + { + "compound_id": "C14395", + "inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3", + "name": "alpha-Methylstyrene", + "names": [ + "1-Methyl-1-phenylethylene", + "2-Phenylpropene", + "alpha-Methylstyrene" + ] + }, + { + "compound_id": "C14396", + "inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3", + "name": "Cumene", + "names": [ + "Cumene", + "Isopropylbenzene" + ] + }, + { + "compound_id": "C14397", + "inchi": "InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H", + "name": "Dinitrochlorobenzene", + "names": [ + "1-Chloro-2,4-dinitrobenzene", + "Dinitrochlorobenzene" + ] + }, + { + "compound_id": "C14398", + "inchi": "InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)", + "name": "Ethylenethiourea", + "names": [ + "2-Mercaptoimidazoline", + "Ethylenethiourea" + ] + }, + { + "compound_id": "C14399", + "inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2", + "name": "1,3-Dichloro-2-propanol", + "names": [ + "1,3-Dichloro-2-propanol" + ] + }, + { + "compound_id": "C14400", + "inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2", + "name": "1,2,3-Trichloropropane", + "names": [ + "1,2,3-Trichloropropane" + ] + }, + { + "compound_id": "C14401", + "inchi": "InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3", + "name": "2,4-Diaminotoluene", + "names": [ + "2,4-Diaminotoluene" + ] + }, + { + "compound_id": "C14402", + "inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2", + "name": "1,2-Diaminobenzene", + "names": [ + "1,2-Diaminobenzene", + "2-Phenylene diamine", + "o-Phenylenediamine" + ] + }, + { + "compound_id": "C14403", + "inchi": "InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3", + "name": "ortho-Toluidine", + "names": [ + "2-Aminotoluene", + "o-Toluidine", + "ortho-Toluidine" + ] + }, + { + "compound_id": "C14404", + "inchi": "InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)", + "name": "2,4-DB", + "names": [ + "2,4-DB", + "4-(2,4-Dichlorophenoxy)butyric acid" + ] + }, + { + "compound_id": "C14405", + "inchi": "InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H", + "name": "N-Phenyl-1-naphthylamine", + "names": [ + "N-Phenyl-1-naphthylamine" + ] + }, + { + "compound_id": "C14406", + "inchi": "InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H", + "name": "3-Nitrofluoranthene", + "names": [ + "3-Nitrofluoranthene" + ] + }, + { + "compound_id": "C14407", + "inchi": "InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H", + "name": "2-Chloronitrobenzene", + "names": [ + "1-Chloro-2-nitrobenzene", + "2-Chloronitrobenzene" + ] + }, + { + "compound_id": "C14408", + "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H", + "name": "1,2,3-Trichlorobenzene", + "names": [ + "1,2,3-Trichlorobenzene" + ] + }, + { + "compound_id": "C14409", + "inchi": "InChI=1S/C12H8O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,13H", + "name": "2-Hydroxydibenzofuran", + "names": [ + "2-Hydroxydibenzofuran", + "Dibenzofuran-2-ol" + ] + }, + { + "compound_id": "C14410", + "inchi": "InChI=1S/C17H22N2.ClH/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-12H,13-15H2,1-2H3;1H", + "name": "Phenbenzamine hydrochloride", + "names": [ + "Phenbenzamine hydrochloride" + ] + }, + { + "compound_id": "C14411", + "inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2", + "name": "Dicyclopentadiene", + "names": [ + "Dicyclopentadiene" + ] + }, + { + "compound_id": "C14412", + "inchi": "InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)", + "name": "4-Toluenesulfonamide", + "names": [ + "4-Toluenesulfonamide" + ] + }, + { + "compound_id": "C14413", + "inchi": "InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1", + "name": "Triphenyltin chloride", + "names": [ + "Triphenyltin chloride" + ] + }, + { + "compound_id": "C14414", + "inchi": "InChI=1S/C4H3NO3/c6-5(7)4-2-1-3-8-4/h1-3H", + "name": "Nitrofuran", + "names": [ + "AI3-23606", + "Nitrofuran" + ] + }, + { + "compound_id": "C14415", + "inchi": "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)", + "name": "Thiourea", + "names": [ + "Thiourea" + ] + }, + { + "compound_id": "C14416", + "inchi": "InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)", + "name": "Trp-P-2", + "names": [ + "3-Amino-1-methyl-5H-pyrido[4,3-b]indole", + "Trp-P-2" + ] + }, + { + "compound_id": "C14417", + "inchi": "InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2", + "name": "2-Anthramine", + "names": [ + "2-Aminoanthracene", + "2-Anthramine" + ] + }, + { + "compound_id": "C14418", + "inchi": "InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H", + "name": "3-Nitrophenol", + "names": [ + "3-Nitrophenol", + "m-Hydroxynitrobenzene" + ] + }, + { + "compound_id": "C14419", + "inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2", + "name": "2,4-Dichloroaniline", + "names": [ + "2,4-DCA", + "2,4-Dichloroaniline" + ] + }, + { + "compound_id": "C14420", + "inchi": "InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3", + "name": "Fenthion", + "names": [ + "4-Methylmercapto-3-methylphenyl dimethyl thiophosphate", + "Fenthion", + "MPP" + ] + }, + { + "compound_id": "C14421", + "inchi": "InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H", + "name": "1-Nitropyrene", + "names": [ + "1-Nitropyrene" + ] + }, + { + "compound_id": "C14422", + "inchi": "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3", + "name": "N-Nitrosodiethylamine", + "names": [ + "Diethylnitrosamine", + "N-Nitrosodiethylamine", + "NDEA" + ] + }, + { + "compound_id": "C14423", + "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H", + "name": "1,8-Dinitropyrene", + "names": [ + "1,8-Dinitropyrene" + ] + }, + { + "compound_id": "C14424", + "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H", + "name": "1,6-Dinitropyrene", + "names": [ + "1,6-Dinitropyrene" + ] + }, + { + "compound_id": "C14425", + "inchi": "InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)", + "name": "Fenobucarb", + "names": [ + "2-sec-Butylphenyl N-methylcarbamate", + "BPMC", + "Fenobucarb" + ] + }, + { + "compound_id": "C14426", + "inchi": "InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)", + "name": "Acephate", + "names": [ + "Acephate", + "O,S-Dimethylacetylphosphoroamidothioate" + ] + }, + { + "compound_id": "C14427", + "inchi": "InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)", + "name": "Diflubenzuron", + "names": [ + "Diflubenzuron", + "N-(4-Chlorophenylcarbamoyl)-2,6-difluorobenzamide" + ] + }, + { + "compound_id": "C14428", + "inchi": "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3", + "name": "Thiobencarb", + "names": [ + "Benthiocarb", + "S-4-Chlorobenzyl diethylthiocarbamate", + "Thiobencarb" + ] + }, + { + "compound_id": "C14429", + "inchi": "InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3", + "name": "Phenthoate", + "names": [ + "Fenthoate", + "Phenthoate" + ] + }, + { + "compound_id": "C14430", + "inchi": "InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3", + "name": "Dichlorvos", + "names": [ + "2,2-Dichloroethenyl dimethyl phosphate", + "DDVP", + "Dichlorvos" + ] + }, + { + "compound_id": "C14431", + "inchi": "InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3", + "name": "Methidathion", + "names": [ + "Methidathion" + ] + }, + { + "compound_id": "C14432", + "inchi": "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)", + "name": "Thiophanate-methyl", + "names": [ + "1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene", + "Thiophanate-methyl" + ] + }, + { + "compound_id": "C14433", + "inchi": "InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)", + "name": "Bendiocarb", + "names": [ + "2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate", + "Bendiocarb" + ] + }, + { + "compound_id": "C14434", + "inchi": "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3", + "name": "EPN", + "names": [ + "EPN", + "O-Ethyl O-p-nitrophenyl phenylphosphonothioate" + ] + }, + { + "compound_id": "C14435", + "inchi": "InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H", + "name": "Benzo[e]pyrene", + "names": [ + "1,2-Benzpyrene", + "Benzo[e]pyrene" + ] + }, + { + "compound_id": "C14436", + "inchi": "InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3", + "name": "Edifenphos", + "names": [ + "EDDP", + "Edifenphos", + "O-Ethyl-S,S-diphenyl dithiophosphate" + ] + }, + { + "compound_id": "C14437", + "inchi": "InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)", + "name": "2-Mercaptobenzothiazole", + "names": [ + "2-Mercaptobenzothiazole", + "Captax" + ] + }, + { + "compound_id": "C14438", + "inchi": "InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2", + "name": "Captan", + "names": [ + "Captan" + ] + }, + { + "compound_id": "C14439", + "inchi": "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3", + "name": "Tributyl phosphate", + "names": [ + "TBP", + "Tributyl phosphate" + ] + }, + { + "compound_id": "C14440", + "inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2", + "name": "1,4-Dioxane", + "names": [ + "1,4-Dioxane", + "p-Dioxane" + ] + }, + { + "compound_id": "C14441", + "inchi": "InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1", + "name": "16-Ketoestrone", + "names": [ + "16-Ketoestrone", + "3-Hydroxy-1,3,5(10)-estratriene-16,17-dione" + ] + }, + { + "compound_id": "C14442", + "inchi": "InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3", + "name": "Fenitrothion", + "names": [ + "Fenitrothion", + "MEP", + "O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate" + ] + }, + { + "compound_id": "C14443", + "inchi": "InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3", + "name": "3,3'-Dimethylbenzidine", + "names": [ + "3,3'-Dimethyl-4,4'-diaminobiphenyl", + "3,3'-Dimethylbenzidine", + "o-Tolidine" + ] + }, + { + "compound_id": "C14444", + "inchi": "InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2", + "name": "2-Aminoanthraquinone", + "names": [ + "2-Aminoanthraquinone" + ] + }, + { + "compound_id": "C14445", + "inchi": "InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2", + "name": "Tris(2-chloroethyl)phosphate", + "names": [ + "Tris(2-chloroethyl)phosphate" + ] + }, + { + "compound_id": "C14446", + "inchi": "InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3", + "name": "Tris(butoxyethyl)phosphate", + "names": [ + "Tris(2-butoxyethyl) phosphate", + "Tris(butoxyethyl)phosphate" + ] + }, + { + "compound_id": "C14447", + "inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3", + "name": "2-Methylpyridine", + "names": [ + "2-Methylpyridine", + "2-Picoline" + ] + }, + { + "compound_id": "C14448", + "inchi": "InChI=1S/C2H2O2/c3-1-2-4/h1-2H", + "name": "Glyoxal", + "names": [ + "1,2-Ethanedione", + "Glyoxal", + "Oxalaldehyde" + ] + }, + { + "compound_id": "C14449", + "inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2", + "name": "Epichlorohydrin", + "names": [ + "1-Chloro-2,3-epoxypropane", + "Epichlorohydrin" + ] + }, + { + "compound_id": "C14450", + "inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2", + "name": "4-Chloroaniline", + "names": [ + "1-Amino-4-chlorobenzene", + "4-Chloroaniline" + ] + }, + { + "compound_id": "C14451", + "inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3", + "name": "4-Chlorotoluene", + "names": [ + "4-Chlorotoluene" + ] + }, + { + "compound_id": "C14452", + "inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2", + "name": "Morpholine", + "names": [ + "Morpholine", + "Tetrahydro-1,4-oxazine" + ] + }, + { + "compound_id": "C14453", + "inchi": "InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H", + "name": "4-Bromophenol", + "names": [ + "4-Bromophenol" + ] + }, + { + "compound_id": "C14454", + "inchi": "InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", + "name": "2,4,6-Tribromophenol", + "names": [ + "2,4,6-Tribromophenol" + ] + }, + { + "compound_id": "C14455", + "inchi": "InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3", + "name": "N-Ethylaniline", + "names": [ + "N-Ethylaniline", + "N-Ethylbenzenamine" + ] + }, + { + "compound_id": "C14456", + "inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H", + "name": "4-Chloronitrobenzene", + "names": [ + "1-Chloro-4-nitrobenzene", + "4-Chloronitrobenzene" + ] + }, + { + "compound_id": "C14457", + "inchi": "InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)", + "name": "Simetryn", + "names": [ + "2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine", + "Simetryn" + ] + }, + { + "compound_id": "C14458", + "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-6,11,16-18H,7H2", + "name": "Dihydrogenistein", + "names": [ + "4',5,7-Trihydroxyisoflavan-4-one", + "Dihydrogenistein" + ] + }, + { + "compound_id": "C14459", + "inchi": "InChI=1S/C20H12O/c21-16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h1-11,21H", + "name": "2-Hydroxybenzo[a]pyrene", + "names": [ + "2-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14460", + "inchi": "InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2", + "name": "2-Hydroxyfluorene", + "names": [ + "2-Hydroxyfluorene", + "Fluoren-2-ol" + ] + }, + { + "compound_id": "C14461", + "inchi": "InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H", + "name": "3-Hydroxybenzo[a]pyrene", + "names": [ + "3-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14462", + "inchi": "InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H", + "name": "3,4-Dichlorophenol", + "names": [ + "3,4-Dichlorophenol" + ] + }, + { + "compound_id": "C14463", + "inchi": "InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m1/s1", + "name": "(R)-3-Hydroxy-3-methyl-2-oxopentanoate", + "names": [ + "(R)-3-Hydroxy-3-methyl-2-oxopentanoate" + ] + }, + { + "compound_id": "C14464", + "inchi": "InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3", + "name": "4-n-Butylphenol", + "names": [ + "4-n-Butylphenol", + "p-Hydroxybutylbenzene" + ] + }, + { + "compound_id": "C14465", + "inchi": "InChI=1S/C12H18O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10,13H,2-6H2,1H3", + "name": "4-n-Hexylphenol", + "names": [ + "4-n-Hexylphenol" + ] + }, + { + "compound_id": "C14466", + "inchi": "InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3", + "name": "4-n-Pentylphenol", + "names": [ + "4-n-Pentylphenol", + "p-Amylphenol" + ] + }, + { + "compound_id": "C14467", + "inchi": "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16+", + "name": "cis-1,2-Diphenylcyclobutane", + "names": [ + "cis-1,2-Diphenylcyclobutane" + ] + }, + { + "compound_id": "C14468", + "inchi": "InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3", + "name": "Diisopropyl phthalate", + "names": [ + "Diisopropyl phthalate" + ] + }, + { + "compound_id": "C14469", + "inchi": "InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3", + "name": "Di-n-propylphthalate", + "names": [ + "Di-n-propylphthalate", + "Dipropyl phthalate" + ] + }, + { + "compound_id": "C14470", + "inchi": "InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3", + "name": "3-Methylcholanthrene", + "names": [ + "3-Methylcholanthrene" + ] + }, + { + "compound_id": "C14471", + "inchi": "InChI=1S/C12H5Cl5O/c13-7-3-10(16)9(15)1-5(7)6-2-11(17)12(18)4-8(6)14/h1-4,18H", + "name": "4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl", + "names": [ + "2,2',4',5,5'-Pentachloro-4-biphenylol", + "4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl" + ] + }, + { + "compound_id": "C14472", + "inchi": "InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3", + "name": "4',5,6,7-Tetramethoxyflavone", + "names": [ + "4',5,6,7-Tetramethoxyflavone", + "Tetra-O-methylscutellarein" + ] + }, + { + "compound_id": "C14473", + "inchi": "InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)", + "name": "1(2H)-Phthalazinone", + "names": [ + "1(2H)-Phthalazinone", + "Phthalazin-1-one" + ] + }, + { + "compound_id": "C14474", + "inchi": "InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3", + "name": "Benzarone", + "names": [ + "2-Ethyl-3-(4-hydroxybenzoyl)benzofuran", + "Benzarone" + ] + }, + { + "compound_id": "C14475", + "inchi": "InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1", + "name": "Bolasterone", + "names": [ + "17beta-Hydroxy-7alpha,17-dimethylandrost-4-en-3-one", + "7alpha,17alpha-Dimethyltestosterone", + "Bolasterone", + "U19763" + ] + }, + { + "compound_id": "C14476", + "inchi": "InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3", + "name": "Xanthomicrol", + "names": [ + "4',5-Dihydroxy-6,7,8-trimethoxyflavone", + "Xanthomicrol" + ] + }, + { + "compound_id": "C14477", + "inchi": "InChI=1S/C21H32F2O2/c1-13(24)25-18-7-6-16-15-5-4-14-12-21(22,23)11-10-19(14,2)17(15)8-9-20(16,18)3/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1", + "name": "3,3-Difluoro-5alpha-androstan-17beta-yl acetate", + "names": [ + "3,3-Difluoro-5alpha-androstan-17beta-yl acetate", + "3,3-Difluoroandrostane-17-ol acetate" + ] + }, + { + "compound_id": "C14478", + "inchi": "InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1", + "name": "21-Deoxycortisone", + "names": [ + "17alpha-Hydroxypregn-4-ene-3,11,20-trione", + "21-Deoxycortisone" + ] + }, + { + "compound_id": "C14479", + "inchi": "InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1", + "name": "Flumethasone", + "names": [ + "6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione", + "Flumethasone" + ] + }, + { + "compound_id": "C14480", + "inchi": "InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H,7,9,10)", + "name": "5-Diazouracil", + "names": [ + "2,6-Dioxo-5-diazopyrimidine", + "5-Diazouracil" + ] + }, + { + "compound_id": "C14481", + "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-14-7-6-12-11-5-3-2-4-10(11)8-13(12)15(14)18/h2-7,18H,8H2,1H3,(H,16,17)", + "name": "1-Hydroxy-2-acetamidofluorene", + "names": [ + "1-Hydroxy-2-acetamidofluorene", + "1-Hydroxy-N-2-fluorenylacetamide", + "N-(1-Hydroxyfluoren-2-yl)-acetamide" + ] + }, + { + "compound_id": "C14482", + "inchi": "InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,14,16-19,22H,4,6-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,21-/m0/s1", + "name": "3beta-Hydroxypregn-5-ene", + "names": [ + "3beta-Hydroxypregn-5-ene", + "5-Pregnen-3beta-ol" + ] + }, + { + "compound_id": "C14483", + "inchi": "InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1", + "name": "17alpha-Methylestradiol", + "names": [ + "17alpha-Methylestradiol" + ] + }, + { + "compound_id": "C14484", + "inchi": "InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1", + "name": "9-Fluoroprednisolone", + "names": [ + "9-Fluoroprednisolone", + "Isoflupredone" + ] + }, + { + "compound_id": "C14485", + "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1", + "name": "17beta-Dihydroequilin", + "names": [ + "17beta-Dihydroequilin" + ] + }, + { + "compound_id": "C14486", + "inchi": "InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1", + "name": "Norethindrone enanthate", + "names": [ + "17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one", + "Norethindrone enanthate", + "Norethisterone enanthate" + ] + }, + { + "compound_id": "C14487", + "inchi": "InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1", + "name": "Ethisterone", + "names": [ + "17alpha-Ethinyl testosterone", + "17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one", + "Ethisterone", + "Progestolets" + ] + }, + { + "compound_id": "C14488", + "inchi": "InChI=1S/C21H29FO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1", + "name": "21-Fluoroprogesterone", + "names": [ + "21-Fluoropregn-4-ene-3,20-dione", + "21-Fluoroprogesterone" + ] + }, + { + "compound_id": "C14489", + "inchi": "InChI=1S/C20H28O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18+,19-,20+/m0/s1", + "name": "19-Norprogesterone", + "names": [ + "19-Norpregn-4-ene-3,20-dione", + "19-Norprogesterone" + ] + }, + { + "compound_id": "C14490", + "inchi": "InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h11,13-16,18,22H,4-10H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1", + "name": "Stenbolone", + "names": [ + "17beta-Hydroxy-2-methyl-5alpha-androst-1-en-3-one", + "Stenbolone" + ] + }, + { + "compound_id": "C14491", + "inchi": "InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1", + "name": "Normethandrolone", + "names": [ + "17alpha-Methyl-19-nortestosterone", + "Methylestrenolone", + "Normethandrolone", + "Normethandrone" + ] + }, + { + "compound_id": "C14492", + "inchi": "InChI=1S/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)", + "name": "Ulifloxacin", + "names": [ + "NM 394", + "Ulifloxacin" + ] + }, + { + "compound_id": "C14493", + "inchi": "InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1", + "name": "Methandriol", + "names": [ + "Methandriol", + "Protandren" + ] + }, + { + "compound_id": "C14494", + "inchi": "InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)", + "name": "4-Chloroacetanilide", + "names": [ + "4-Chloroacetanilide" + ] + }, + { + "compound_id": "C14495", + "inchi": "InChI=1S/C31H50O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1", + "name": "Eburicoic acid", + "names": [ + "Eburicoic acid" + ] + }, + { + "compound_id": "C14496", + "inchi": "InChI=1S/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", + "name": "Estrololactone", + "names": [ + "3-Hydroxy-D-homo-17a-oxaestra-1,3,5(10)-trien-17-one", + "Estrololactone" + ] + }, + { + "compound_id": "C14497", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1", + "name": "6beta-Hydroxytestosterone", + "names": [ + "6beta,17beta-Dihydroxyandrost-4-en-3-one", + "6beta-Hydroxytestosterone" + ] + }, + { + "compound_id": "C14498", + "inchi": "InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1", + "name": "17alpha-Dihydroequilenin", + "names": [ + "17alpha-Dihydroequilenin" + ] + }, + { + "compound_id": "C14499", + "inchi": "InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3", + "name": "1,2-Epoxyhexadecane", + "names": [ + "1,2-Epoxyhexadecane" + ] + }, + { + "compound_id": "C14500", + "inchi": "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1", + "name": "19-Norandrostenedione", + "names": [ + "19-Norandrostenedione", + "delta4-Estrene-3,17-dione" + ] + }, + { + "compound_id": "C14501", + "inchi": "InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H", + "name": "N,N'-Diphenyl-p-phenylenediamine", + "names": [ + "DPPD", + "N,N'-Diphenyl-p-phenylenediamine" + ] + }, + { + "compound_id": "C14502", + "inchi": "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1", + "name": "Boldenone", + "names": [ + "17beta-Boldenone", + "Boldenone" + ] + }, + { + "compound_id": "C14503", + "inchi": "InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1", + "name": "16-Dehydropregnenolone acetate", + "names": [ + "16-Dehydropregnenolone acetate", + "3beta-Acetyloxy-pregna-5,16-dien-20-one" + ] + }, + { + "compound_id": "C14504", + "inchi": "InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3", + "name": "Di-n-hexyl phthalate", + "names": [ + "Di-n-hexyl phthalate", + "Dihexyl 1,2-benzenedicarboxylate", + "Dihexyl phthalate" + ] + }, + { + "compound_id": "C14505", + "inchi": "InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3", + "name": "Di-n-decyl phthalate", + "names": [ + "Di-n-decyl phthalate", + "Didecyl 1,2-Benzenedicarboxylate", + "Didecyl phthalate" + ] + }, + { + "compound_id": "C14506", + "inchi": "InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)", + "name": "Chlorpropham", + "names": [ + "Chloropropham", + "Chlorpropham", + "N-3-Chlorophenylisopropylcarbamate" + ] + }, + { + "compound_id": "C14507", + "inchi": "InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H", + "name": "Diphenyl carbonate", + "names": [ + "Diphenyl carbonate" + ] + }, + { + "compound_id": "C14508", + "inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3", + "name": "Mesitylene", + "names": [ + "1,3,5-Trimethylbenzene", + "Mesitylene" + ] + }, + { + "compound_id": "C14509", + "inchi": "InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3", + "name": "1-Tridecanol", + "names": [ + "1-Tridecanol", + "Tridecyl alcohol" + ] + }, + { + "compound_id": "C14510", + "inchi": "InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3", + "name": "Fensulfothion", + "names": [ + "Fensulfothion" + ] + }, + { + "compound_id": "C14511", + "inchi": "InChI=1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3", + "name": "Bisphenol A glycidylmethacrylate", + "names": [ + "2,2-Bis[4-(2-hydroxy-3-methacryloxypropoxy)phenyl]propane", + "Bis-GMA", + "Bisphenol A diglycidyl methacrylate", + "Bisphenol A glycidylmethacrylate" + ] + }, + { + "compound_id": "C14512", + "inchi": "InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H", + "name": "Benzofuran", + "names": [ + "Benzofuran" + ] + }, + { + "compound_id": "C14513", + "inchi": "InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-", + "name": "Tetrachlorvinphos", + "names": [ + "2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate", + "Tetrachlorvinphos" + ] + }, + { + "compound_id": "C14514", + "inchi": "InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3", + "name": "Chinomethionat", + "names": [ + "6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate", + "Chinomethionat", + "Quinomethionate" + ] + }, + { + "compound_id": "C14515", + "inchi": "InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3", + "name": "Camphorquinone", + "names": [ + "Camphorquinone" + ] + }, + { + "compound_id": "C14516", + "inchi": "InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2", + "name": "Kojic acid", + "names": [ + "5-Hydroxy-2-(hydroxymethyl)-4-pyrone", + "Kojic acid" + ] + }, + { + "compound_id": "C14517", + "inchi": "InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3", + "name": "Pretilachlor", + "names": [ + "Pretilachlor" + ] + }, + { + "compound_id": "C14518", + "inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3", + "name": "1,2,3-Trimethylbenzene", + "names": [ + "1,2,3-Trimethylbenzene", + "Hemimellitene" + ] + }, + { + "compound_id": "C14519", + "inchi": "InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H", + "name": "1-Hydroxypyrene", + "names": [ + "1-Hydroxypyrene" + ] + }, + { + "compound_id": "C14520", + "inchi": "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3", + "name": "Chlorpyrifos-methyl", + "names": [ + "Chloropyriphos-methyl", + "Chlorpyrifos-methyl" + ] + }, + { + "compound_id": "C14521", + "inchi": "InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H", + "name": "2,4-Dibromophenol", + "names": [ + "2,4-Dibromophenol" + ] + }, + { + "compound_id": "C14522", + "inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3", + "name": "3-Ethyltoluene", + "names": [ + "1-Methyl-3-ethylbenzene", + "3-Ethyltoluene" + ] + }, + { + "compound_id": "C14523", + "inchi": "InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3", + "name": "Diisopropyl adipate", + "names": [ + "Diisopropyl adipate" + ] + }, + { + "compound_id": "C14524", + "inchi": "InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3", + "name": "Flucythrinate", + "names": [ + "Flucythrinate" + ] + }, + { + "compound_id": "C14525", + "inchi": "InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3", + "name": "Mefenacet", + "names": [ + "2-(1,3-Benzothiazol-2-yloxy)-N-methylacetanilide", + "Mefenacet" + ] + }, + { + "compound_id": "C14526", + "inchi": "InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3", + "name": "Esprocarb", + "names": [ + "Esprocarb" + ] + }, + { + "compound_id": "C14527", + "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3", + "name": "Methyl methacrylate", + "names": [ + "MMA", + "Methyl 2-methylpropenoate", + "Methyl methacrylate" + ] + }, + { + "compound_id": "C14528", + "inchi": "InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3", + "name": "Tetrachlorobisphenol A", + "names": [ + "2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane", + "3,3',5,5'-Tetrachlorobisphenol A", + "Tetrachlorobisphenol A", + "Tetrachlorodian" + ] + }, + { + "compound_id": "C14529", + "inchi": "InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2", + "name": "Dicyclohexyl phthalate", + "names": [ + "Dicyclohexyl phthalate" + ] + }, + { + "compound_id": "C14530", + "inchi": "InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3", + "name": "2-Hydroxyethyl methacrylate", + "names": [ + "2-Hydroxyethyl methacrylate", + "HEMA" + ] + }, + { + "compound_id": "C14531", + "inchi": "InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)", + "name": "Azomycin", + "names": [ + "Azomycin" + ] + }, + { + "compound_id": "C14532", + "inchi": "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)", + "name": "Fenoprop", + "names": [ + "2,4,5-TP", + "2-(2,4,5-Trichlorophenoxy)propionic acid", + "Fenoprop", + "Silvex" + ] + }, + { + "compound_id": "C14533", + "inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3", + "name": "1,2,4-Trimethylbenzene", + "names": [ + "1,2,4-Trimethylbenzene", + "Pseudocumene" + ] + }, + { + "compound_id": "C14534", + "inchi": "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3", + "name": "1,2,4,5-Tetramethylbenzene", + "names": [ + "1,2,4,5-Tetramethylbenzene", + "Durene" + ] + }, + { + "compound_id": "C14535", + "inchi": "InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)", + "name": "4-t-Butylbenzoic acid", + "names": [ + "4-t-Butylbenzoic acid", + "p-tert-Butylbenzoic acid" + ] + }, + { + "compound_id": "C14536", + "inchi": "InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3", + "name": "Glycitein", + "names": [ + "7,4'-Dihydroxy-6-methoxyisoflavone", + "Glycitein" + ] + }, + { + "compound_id": "C14537", + "inchi": "InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3", + "name": "Trimethylolpropane triacrylate", + "names": [ + "2-Ethyl-2-(hydroxymethyl)-1,3-propanediol triacrylate", + "TMPTA", + "Trimethylolpropane triacrylate" + ] + }, + { + "compound_id": "C14538", + "inchi": "InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3", + "name": "Trimethylolpropane trimethacrylate", + "names": [ + "2-Ethyl-2(hydroxymethyl)-1,3-propanediol trimethacrylate", + "TMPT", + "Trimethylolpropane trimethacrylate" + ] + }, + { + "compound_id": "C14539", + "inchi": "InChI=1S/C50H62N4O13/c1-11-16-53-17-19-54(20-18-53)31-22-32(56)38-34(23-31)66-47-39(51-38)35-36-43(59)29(7)46-37(35)48(61)50(9,67-46)64-21-15-33(63-10)26(4)45(65-30(8)55)28(6)42(58)27(5)41(57)24(2)13-12-14-25(3)49(62)52-40(47)44(36)60/h12-15,21-24,26-28,33,41-42,45,56-59H,11,16-20H2,1-10H3,(H,52,62)/b13-12+,21-15+,25-14-/t24-,26+,27+,28+,33-,41-,42+,45+,50-/m0/s1", + "name": "Krm 1657", + "names": [ + "Krm 1657" + ] + }, + { + "compound_id": "C14540", + "inchi": "InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1", + "name": "Rifamycin S", + "names": [ + "Rifamycin S" + ] + }, + { + "compound_id": "C14541", + "inchi": "InChI=1S/C18H18O/c1-3-15-16-10-9-14(19)11-17(16)12(2)18(15)13-7-5-4-6-8-13/h4-12,19H,3H2,1-2H3/t12-/m1/s1", + "name": "(R)-4'-Deoxyindenestrol", + "names": [ + "(R)-4'-Deoxyindenestrol" + ] + }, + { + "compound_id": "C14542", + "inchi": "InChI=1S/C18H18O/c1-3-15-16-10-9-14(19)11-17(16)12(2)18(15)13-7-5-4-6-8-13/h4-12,19H,3H2,1-2H3/t12-/m0/s1", + "name": "(S)-4'-Deoxyindenestrol", + "names": [ + "(S)-4'-Deoxyindenestrol" + ] + }, + { + "compound_id": "C14543", + "inchi": "InChI=1S/C18H18O/c1-3-15-17-7-5-4-6-16(17)12(2)18(15)13-8-10-14(19)11-9-13/h4-12,19H,3H2,1-2H3/t12-/m1/s1", + "name": "(R)-5-Deoxyindenestrol", + "names": [ + "(R)-5-Deoxyindenestrol" + ] + }, + { + "compound_id": "C14544", + "inchi": "InChI=1S/C18H18O/c1-3-15-17-7-5-4-6-16(17)12(2)18(15)13-8-10-14(19)11-9-13/h4-12,19H,3H2,1-2H3/t12-/m0/s1", + "name": "(S)-5-Deoxyindenestrol", + "names": [ + "(S)-5-Deoxyindenestrol" + ] + }, + { + "compound_id": "C14545", + "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-11,19-20H,3H2,1-2H3/t11-/m0/s1", + "name": "(S)-Indenestrol A", + "names": [ + "(S)-Indenestrol A" + ] + }, + { + "compound_id": "C14546", + "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-11,19-20H,3H2,1-2H3/t11-/m1/s1", + "name": "(R)-Indenestrol A", + "names": [ + "(R)-Indenestrol A" + ] + }, + { + "compound_id": "C14547", + "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-10,15,19-20H,3H2,1-2H3/t15-/m0/s1", + "name": "(S)-Indenestrol B", + "names": [ + "(S)-Indenestrol B" + ] + }, + { + "compound_id": "C14548", + "inchi": "InChI=1S/C18H18O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-10,15,19-20H,3H2,1-2H3/t15-/m1/s1", + "name": "(R)-Indenestrol B", + "names": [ + "(R)-Indenestrol B" + ] + }, + { + "compound_id": "C14549", + "inchi": "InChI=1S/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H", + "name": "Triphenylsilanol", + "names": [ + "Triphenylhydroxysilane", + "Triphenylsilanol" + ] + }, + { + "compound_id": "C14550", + "inchi": "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3", + "name": "4-n-Nonylphenol", + "names": [ + "4-Nonylphenol", + "4-n-Nonylphenol", + "p-Nonylphenol" + ] + }, + { + "compound_id": "C14551", + "inchi": "InChI=1S/C19H22O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,20H,4-5H2,1-3H3/b19-18+", + "name": "Diethylstilbestrol monomethyl ether", + "names": [ + "Diethylstilbestrol monomethyl ether", + "Mestilbol" + ] + }, + { + "compound_id": "C14552", + "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1", + "name": "11-Ketoetiocholanolone", + "names": [ + "11-Ketoetiocholanolone", + "3alpha-Hydroxy-5beta-androstane-11,17-dione" + ] + }, + { + "compound_id": "C14553", + "inchi": "InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,17-,18+,19+/m1/s1", + "name": "3alpha,11beta-Dihydroxy-5beta-androstane-17-one", + "names": [ + "11beta-Hydroxyetiocholanolone", + "3alpha,11beta-Dihydroxy-5beta-androstane-17-one" + ] + }, + { + "compound_id": "C14554", + "inchi": "InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1", + "name": "Deoxycorticosterone acetate", + "names": [ + "21-Acetoxypregn-4-ene-3,20-dione", + "Deoxycorticosterone acetate", + "Percotol" + ] + }, + { + "compound_id": "C14555", + "inchi": "InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1", + "name": "11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one", + "names": [ + "11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one", + "11alpha-Hydroxy-17alpha-methyltestosterone" + ] + }, + { + "compound_id": "C14556", + "inchi": "InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H", + "name": "9-Hydroxybenzo[a]pyrene", + "names": [ + "9-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14557", + "inchi": "InChI=1S/C20H12O/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11,21H", + "name": "8-Hydroxybenzo[a]pyrene", + "names": [ + "8-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14558", + "inchi": "InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H", + "name": "7-Hydroxybenzo[a]pyrene", + "names": [ + "7-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14559", + "inchi": "InChI=1S/C20H12O/c21-18-11-14-6-3-5-12-8-9-16-15-7-2-1-4-13(15)10-17(18)20(16)19(12)14/h1-11,21H", + "name": "5-Hydroxybenzo[a]pyrene", + "names": [ + "5-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14560", + "inchi": "InChI=1S/C20H12O/c21-18-11-14-10-13-4-1-2-6-15(13)16-9-8-12-5-3-7-17(18)19(12)20(14)16/h1-11,21H", + "name": "4-Hydroxybenzo[a]pyrene", + "names": [ + "4-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14561", + "inchi": "InChI=1S/C24H24/c1-20(22-13-7-3-8-14-22)19-24(23-15-9-4-10-16-23)18-17-21-11-5-2-6-12-21/h2-16,24H,1,17-19H2", + "name": "2,4,6-Triphenyl-1-hexene", + "names": [ + "2,4,6-Triphenyl-1-hexene" + ] + }, + { + "compound_id": "C14562", + "inchi": "InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2", + "name": "2,4-Diphenyl-1-butene", + "names": [ + "2,4-Diphenyl-1-butene" + ] + }, + { + "compound_id": "C14563", + "inchi": "InChI=1S/C20H12O/c21-18-11-17-15-6-2-1-4-13(15)10-14-9-8-12-5-3-7-16(18)19(12)20(14)17/h1-11,21H", + "name": "12-Hydroxybenzo[a]pyrene", + "names": [ + "12-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14564", + "inchi": "InChI=1S/C20H12O/c21-17-11-14-6-3-5-12-8-9-15-10-13-4-1-2-7-16(13)20(17)19(15)18(12)14/h1-11,21H", + "name": "11-Hydroxybenzo[a]pyrene", + "names": [ + "11-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14565", + "inchi": "InChI=1S/C20H12O/c21-17-6-2-5-14-11-15-8-7-12-3-1-4-13-9-10-16(19(14)17)20(15)18(12)13/h1-11,21H", + "name": "10-Hydroxybenzo[a]pyrene", + "names": [ + "10-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14566", + "inchi": "InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3", + "name": "Diethyl adipate", + "names": [ + "Diethyl adipate", + "Diethyl hexanedioate" + ] + }, + { + "compound_id": "C14567", + "inchi": "InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3", + "name": "Acetyleugenol", + "names": [ + "Acetyleugenol" + ] + }, + { + "compound_id": "C14568", + "inchi": "InChI=1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)", + "name": "Bromobutide", + "names": [ + "(RS)-2-Bromo-N-(alpha,alpha-dimethylbenzyl)-3,3-dimethylbutyramide", + "2-Bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamide", + "Bromobutide", + "Sumiherb" + ] + }, + { + "compound_id": "C14569", + "inchi": "InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H", + "name": "4,4'-Biphenyldithiol", + "names": [ + "4,4'-Biphenyldithiol", + "4,4'-Dimercaptobiphenyl", + "4,4'-Thiobiphenyl" + ] + }, + { + "compound_id": "C14570", + "inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3", + "name": "Dimethyl adipate", + "names": [ + "Dimethyl adipate", + "Dimethyl hexanedioate" + ] + }, + { + "compound_id": "C14571", + "inchi": "InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3", + "name": "Dimepiperate", + "names": [ + "Dimepiperate", + "S-1-Methyl-1-phenylethyl piperidine 1-carbothioate" + ] + }, + { + "compound_id": "C14572", + "inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3", + "name": "2-Ethyltoluene", + "names": [ + "1-Ethyl-2-methylbenzene", + "2-Ethyltoluene", + "o-Methylethylbenzene" + ] + }, + { + "compound_id": "C14573", + "inchi": "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H", + "name": "3,3',4,4',5-Pentachlorobiphenyl", + "names": [ + "3,3',4,4',5-Pentachlorobiphenyl", + "PCB 126" + ] + }, + { + "compound_id": "C14574", + "inchi": "InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3", + "name": "Chlorobenzilate", + "names": [ + "Chlorobenzilate", + "Ethyl 2-hydroxy-2,2-bis(4-chlorophenyl)acetate", + "Ethyl-4,4'-dichlorobenzilate" + ] + }, + { + "compound_id": "C14575", + "inchi": "InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3", + "name": "Di-n-heptyl phthalate", + "names": [ + "Di-n-heptyl phthalate" + ] + }, + { + "compound_id": "C14576", + "inchi": "InChI=1S/C20H12O/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11,21H", + "name": "6-Hydroxybenzo[a]pyrene", + "names": [ + "6-Hydroxybenzo[a]pyrene" + ] + }, + { + "compound_id": "C14577", + "inchi": "InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3", + "name": "Diisooctyl phthalate", + "names": [ + "Diisooctyl phthalate" + ] + }, + { + "compound_id": "C14578", + "inchi": "InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3", + "name": "Diisodecyl phthalate", + "names": [ + "Diisodecyl phthalate" + ] + }, + { + "compound_id": "C14579", + "inchi": "InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)", + "name": "Xylylcarb", + "names": [ + "3,4-Dimethylphenyl methylcarbamate", + "Meobal", + "Xylylcarb" + ] + }, + { + "compound_id": "C14580", + "inchi": "InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3", + "name": "Isoxathion", + "names": [ + "Isoxathion", + "Karphos" + ] + }, + { + "compound_id": "C14581", + "inchi": "InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2", + "name": "1,3-Diphenylpropane", + "names": [ + "1,3-Diphenylpropane" + ] + }, + { + "compound_id": "C14582", + "inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3", + "name": "2,4-Dimethylphenol", + "names": [ + "1-Hydroxy-2,4-dimethylbenzene", + "2,4-Dimethylphenol" + ] + }, + { + "compound_id": "C14583", + "inchi": "InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3", + "name": "1,4-Diethylbenzene", + "names": [ + "1,4-Diethylbenzene", + "p-Diethylbenzene" + ] + }, + { + "compound_id": "C14584", + "inchi": "InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2", + "name": "Chlorobenside", + "names": [ + "4-Chlorobenzyl 4-chlorophenyl sulfide", + "Chlorobenside" + ] + }, + { + "compound_id": "C14585", + "inchi": "InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+", + "name": "4-Chlorochalcone", + "names": [ + "3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one", + "4-Chlorochalcone" + ] + }, + { + "compound_id": "C14586", + "inchi": "InChI=1S/C22H32O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h12-13,16-19H,5-11H2,1-4H3/t13-,16-,17+,18-,19-,21+,22+/m0/s1", + "name": "6alpha-Methylprogesterone", + "names": [ + "6alpha-Methylpregn-4-ene-3,20-dione", + "6alpha-Methylprogesterone" + ] + }, + { + "compound_id": "C14587", + "inchi": "InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15+,17+,18-,19-/m0/s1", + "name": "11alpha-Hydroxyandrosta-1,4-diene-3,17-dione", + "names": [ + "11alpha-Hydroxyandrosta-1,4-diene-3,17-dione" + ] + }, + { + "compound_id": "C14588", + "inchi": "InChI=1S/C20H30O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one", + "names": [ + "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one", + "7alpha-Methyltestosterone" + ] + }, + { + "compound_id": "C14589", + "inchi": "InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2", + "name": "1,2-Bis(4-nitrophenyl)ethane", + "names": [ + "1,2-Bis(4-nitrophenyl)ethane", + "4,4'-Dinitrodibenzyl" + ] + }, + { + "compound_id": "C14590", + "inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1", + "name": "Estra-1,3,5(10),6-tetraen-3,17beta-diol", + "names": [ + "6-Dehydroestradiol", + "Estra-1,3,5(10),6-tetraen-3,17beta-diol" + ] + }, + { + "compound_id": "C14591", + "inchi": "InChI=1S/C13H9NO/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-9H", + "name": "4-(2-Benzofuranyl)pyridine", + "names": [ + "4-(2-Benzofuranyl)pyridine", + "Pyridarone" + ] + }, + { + "compound_id": "C14592", + "inchi": "InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)", + "name": "N-Methyl-N'-nitro-N-nitrosoguanidine", + "names": [ + "1-Methyl-3-nitro-1-nitrosoguanidine", + "MNNG", + "Methylnitronitrosoguanidine", + "N-Methyl-N'-nitro-N-nitrosoguanidine" + ] + }, + { + "compound_id": "C14593", + "inchi": "InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1", + "name": "Epimestrol", + "names": [ + "3-Methoxy-17-epiestriol", + "3-Methoxyestra-1,3,5(10)-triene-16alpha,17alpha-diol", + "Epimestrol" + ] + }, + { + "compound_id": "C14594", + "inchi": "InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1", + "name": "3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one", + "names": [ + "3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one", + "Tetrahydro-11-deoxycortisol" + ] + }, + { + "compound_id": "C14595", + "inchi": "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)", + "name": "Methylnitrosourea", + "names": [ + "Methylnitrosourea", + "N-Methyl-N-nitrosourea", + "NMH" + ] + }, + { + "compound_id": "C14596", + "inchi": "InChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3", + "name": "Ethamoxytriphetol", + "names": [ + "4-Methoxy-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol", + "Ethamoxytriphetol" + ] + }, + { + "compound_id": "C14597", + "inchi": "InChI=1S/C17H15NO2/c1-19-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(20-2)10-6-14/h3-11H,1-2H3/b15-11+", + "name": "2,3-Bis(p-methoxyphenyl)acrylonitrile", + "names": [ + "2,3-Bis(p-methoxyphenyl)acrylonitrile", + "2,3-Di(4-methoxyphenyl)acrylonitrile" + ] + }, + { + "compound_id": "C14598", + "inchi": "InChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1", + "name": "3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione", + "names": [ + "17alpha-Hydroxy-11-ketopregnanolone", + "3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione" + ] + }, + { + "compound_id": "C14599", + "inchi": "InChI=1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H", + "name": "2,3,3-Triphenylacrylonitrile", + "names": [ + "2,3,3-Triphenylacrylonitrile", + "Triphenylcyanoethylene" + ] + }, + { + "compound_id": "C14600", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18+,19+/m1/s1", + "name": "16alpha-Hydroxytestosterone", + "names": [ + "16alpha,17beta-Dihydroxy-4-androsten-3-one", + "16alpha-Hydroxytestosterone" + ] + }, + { + "compound_id": "C14601", + "inchi": "InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3", + "name": "Methyl methoxyacetate", + "names": [ + "Methyl methoxyacetate" + ] + }, + { + "compound_id": "C14602", + "inchi": "InChI=1S/C6H7NO2/c8-6-3-1-2-5(4-6)7-9/h1-4,7-9H", + "name": "3-Hydroxyaminophenol", + "names": [ + "3-Hydroxyaminophenol", + "3-Hydroxylaminophenol" + ] + }, + { + "compound_id": "C14603", + "inchi": "InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1", + "name": "17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate", + "names": [ + "17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate", + "19-Nortestosterone cyclopentylpropionate" + ] + }, + { + "compound_id": "C14604", + "inchi": "InChI=1S/C6H7NO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H,7H2", + "name": "Aminohydroquinone", + "names": [ + "Aminohydroquinone" + ] + }, + { + "compound_id": "C14605", + "inchi": "InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1", + "name": "Metholone", + "names": [ + "17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one", + "Dromostanolone", + "Metholone" + ] + }, + { + "compound_id": "C14606", + "inchi": "InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1", + "name": "3alpha,11beta-Dihydroxy-5alpha-androstane-17-one", + "names": [ + "11beta-Hydroxyandrosterone", + "3alpha,11beta-Dihydroxy-5alpha-androstane-17-one" + ] + }, + { + "compound_id": "C14607", + "inchi": "InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1", + "name": "Testosterone decanoate", + "names": [ + "17beta-Hydroxyandrost-4-en-3-one decanoate", + "Testosterone decanoate" + ] + }, + { + "compound_id": "C14608", + "inchi": "InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1", + "name": "3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one", + "names": [ + "3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one", + "6alpha-Hydroxypregnanolone" + ] + }, + { + "compound_id": "C14609", + "inchi": "InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1", + "name": "3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one", + "names": [ + "17alpha-Hydroxypregnanolone", + "3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one" + ] + }, + { + "compound_id": "C14610", + "inchi": "InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1", + "name": "(S)-5-Oxo-2,5-dihydrofuran-2-acetate", + "names": [ + "(+)-Muconolactone", + "(S)-5-Oxo-2,5-dihydrofuran-2-acetate" + ] + }, + { + "compound_id": "C14611", + "inchi": "InChI=1S/C13H10Cl2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13H", + "name": "1-Chloro-2-(chlorophenylmethyl)benzene", + "names": [ + "1-Chloro-2-(chlorophenylmethyl)benzene" + ] + }, + { + "compound_id": "C14612", + "inchi": "InChI=1S/C22H20O6/c1-26-19-10-13(4-7-16(19)23)22(14-5-8-17(24)20(11-14)27-2)15-6-9-18(25)21(12-15)28-3/h4-12,23-24H,1-3H3", + "name": "Rubrophen", + "names": [ + "4-[Bis(4-hydroxy-3-methoxyphenyl)methylene]-2-methoxy-2,5-cyclohexadien-1-one", + "Rubrophen" + ] + }, + { + "compound_id": "C14613", + "inchi": "InChI=1S/C13H12O3/c14-12-5-4-10-7-9(2-6-13(15)16)1-3-11(10)8-12/h1,3-5,7-8,14H,2,6H2,(H,15,16)", + "name": "Allenolic acid", + "names": [ + "6-Hydroxy-2-naphthalenepropanoic acid", + "Allenolic acid" + ] + }, + { + "compound_id": "C14614", + "inchi": "InChI=1S/C10H14N4S/c1-2-3-4-5-15-10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)", + "name": "6-(Pentylthio)purine", + "names": [ + "6-(Pentylthio)purine", + "6-Amylmercaptopurine" + ] + }, + { + "compound_id": "C14615", + "inchi": "InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-15,17,23H,4-9,11H2,1-3H3/t14-,15-,17+,18-,19-,20-/m0/s1", + "name": "17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione", + "names": [ + "17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione" + ] + }, + { + "compound_id": "C14616", + "inchi": "InChI=1S/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", + "names": [ + "(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", + "9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha,11beta,17-triol" + ] + }, + { + "compound_id": "C14617", + "inchi": "InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2/b16-15+", + "name": "Chrysoidine free base", + "names": [ + "Chrysoidine free base", + "Grasan Chrysoidine" + ] + }, + { + "compound_id": "C14618", + "inchi": "InChI=1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1", + "name": "6alpha-Fluoroprednisolone", + "names": [ + "6alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione", + "6alpha-Fluoroprednisolone", + "Fluprednisolone" + ] + }, + { + "compound_id": "C14619", + "inchi": "InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)", + "name": "o-Chloroacetanilide", + "names": [ + "2'-Chloroacetanilide", + "N-(2-Chlorophenyl)acetamide", + "o-Chloroacetanilide" + ] + }, + { + "compound_id": "C14620", + "inchi": "InChI=1S/C15H11NO3/c1-9(17)16-10-6-7-14-13(8-10)11-4-2-3-5-12(11)15(18)19-14/h2-8H,1H3,(H,16,17)", + "name": "2-Acetamido-6H-dibenzo[b,d]pyran-6-one", + "names": [ + "2-Acetamido-6H-dibenzo[b,d]pyran-6-one" + ] + }, + { + "compound_id": "C14621", + "inchi": "InChI=1S/C20H27FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3/t14-,15-,17-,18-,19-,20-/m0/s1", + "name": "9-Fluoro-17-methyl-11-oxotestosterone", + "names": [ + "9-Fluoro-17-methyl-11-oxotestosterone", + "9alpha-Fluoro-17beta-hydroxy-17alpha-methylandrost-4-ene-3,11-dione" + ] + }, + { + "compound_id": "C14622", + "inchi": "InChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+", + "name": "(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene", + "names": [ + "(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene", + "(E)-Methoxy-4'-nitrostilbene" + ] + }, + { + "compound_id": "C14623", + "inchi": "InChI=1S/C7H8N4S/c1-2-12-7-5-6(9-3-8-5)10-4-11-7/h3-4H,2H2,1H3,(H,8,9,10,11)", + "name": "6-(Ethylthio)purine", + "names": [ + "6-(Ethylthio)purine", + "6-Ethylmercaptopurine" + ] + }, + { + "compound_id": "C14624", + "inchi": "InChI=1S/C25H40O4/c1-5-22(26)28-17-11-13-24(3)16(15-17)7-8-18-19-9-10-21(29-23(27)6-2)25(19,4)14-12-20(18)24/h16-21H,5-15H2,1-4H3/t16-,17+,18-,19-,20-,21-,24-,25-/m0/s1", + "name": "Androstane-3,17-diol dipropionate", + "names": [ + "5alpha-Androstane-3alpha,17beta-diol dipropionate", + "Androstane-3,17-diol dipropionate" + ] + }, + { + "compound_id": "C14625", + "inchi": "InChI=1S/C24H31FO6/c1-13-9-18-16-6-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(18,25)21(3)7-5-15(27)10-17(13)21/h5,7,10,13,16,18-19,28,30H,6,8-9,11-12H2,1-4H3/t13-,16-,18-,19-,21-,22-,23-,24-/m0/s1", + "name": "9alpha-Fluoro-6alpha-methylprednisolone 21-acetate", + "names": [ + "9alpha-Fluoro-6alpha-methylprednisolone 21-acetate" + ] + }, + { + "compound_id": "C14626", + "inchi": "InChI=1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)/b22-21+", + "name": "2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene", + "names": [ + "2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene", + "Azo-mustard", + "CB 1414" + ] + }, + { + "compound_id": "C14627", + "inchi": "InChI=1S/C19H28O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h11,14-16,21-22H,3-10H2,1-2H3/t14-,15+,16-,17-,18+,19+/m0/s1", + "name": "14alpha,17beta-Dihydroxyandrost-4-en-3-one", + "names": [ + "14-Hydroxytestosterone", + "14alpha,17beta-Dihydroxyandrost-4-en-3-one" + ] + }, + { + "compound_id": "C14628", + "inchi": "InChI=1S/C20H30O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h11,13-16,18,21,23H,3-10H2,1-2H3/b12-11-/t13-,14-,15-,16-,18-,19-,20-/m0/s1", + "name": "4,5alpha-Dihydro-2-(hydroxymethylene)testosterone", + "names": [ + "17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one", + "4,5alpha-Dihydro-2-(hydroxymethylene)testosterone" + ] + }, + { + "compound_id": "C14629", + "inchi": "InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1", + "name": "Fluorometholone 17-acetate", + "names": [ + "6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone", + "9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 17-acetate", + "Fluorometholone 17-acetate" + ] + }, + { + "compound_id": "C14630", + "inchi": "InChI=1S/C22H31FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h10,12,15-16,18-19,26H,5-9,11H2,1-4H3/t12-,15+,16-,18-,19-,20+,21-,22-/m0/s1", + "name": "9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione", + "names": [ + "9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C14631", + "inchi": "InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1", + "name": "5-Androstene-3beta,16alpha-diol", + "names": [ + "3beta,16alpha-Dihydroxy-5-androstene", + "5-Androstene-3beta,16alpha-diol", + "Cetadiol" + ] + }, + { + "compound_id": "C14632", + "inchi": "InChI=1S/C22H30O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,20H,5-9,11H2,1-4H3/t12-,15-,16+,17-,20+,21-,22+/m0/s1", + "name": "6alpha-Methylpregn-4-ene-3,11,20-trione", + "names": [ + "6alpha-Methyl-11-oxoprogesterone", + "6alpha-Methylpregn-4-ene-3,11,20-trione", + "SKI22936" + ] + }, + { + "compound_id": "C14633", + "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-12-2-4-14-10(7-12)6-11-8-13(18)3-5-15(11)14/h2-5,7-8,18H,6H2,1H3,(H,16,17)", + "name": "7-Hydroxy-2-acetamidofluorene", + "names": [ + "7-Hydroxy-2-acetamidofluorene", + "N-(7-Hydroxy-9H-fluoren-2-yl)acetamide" + ] + }, + { + "compound_id": "C14634", + "inchi": "InChI=1S/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3/t18-,19+,20-,21-,24-,25-,26-/m0/s1", + "name": "Methandriol dipropionate", + "names": [ + "Methandriol dipropionate" + ] + }, + { + "compound_id": "C14635", + "inchi": "InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1", + "name": "16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate", + "names": [ + "16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate", + "16alpha,17alpha-Epoxypregnenolone acetate" + ] + }, + { + "compound_id": "C14636", + "inchi": "InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1", + "name": "9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate", + "names": [ + "9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate", + "Isoflupredone acetate", + "U-6013" + ] + }, + { + "compound_id": "C14637", + "inchi": "InChI=1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1", + "name": "16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone", + "names": [ + "16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone" + ] + }, + { + "compound_id": "C14638", + "inchi": "InChI=1S/C21H29FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h7,13-16,23,25-26,28H,3-6,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1", + "name": "9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione", + "names": [ + "9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione", + "9alpha-Fluoro-16alpha-hydroxyhydrocortisone" + ] + }, + { + "compound_id": "C14639", + "inchi": "InChI=1S/C9H9NO/c11-10-9-5-7-3-1-2-4-8(7)6-9/h1-4,11H,5-6H2", + "name": "2-Indanone oxime", + "names": [ + "1,3-Dihydro-2H-inden-2-one oxime", + "2-Indanone oxime" + ] + }, + { + "compound_id": "C14640", + "inchi": "InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1", + "name": "Estradiol 17beta-cyclopentylpropionate", + "names": [ + "Estradiol 17beta-cyclopentylpropionate", + "Estradiol cypionate" + ] + }, + { + "compound_id": "C14641", + "inchi": "InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1", + "name": "Cholesteryl oleate", + "names": [ + "Cholest-5-en-3-beta-yl oleate", + "Cholesteryl cis-9-octadecenoate", + "Cholesteryl oleate" + ] + }, + { + "compound_id": "C14642", + "inchi": "InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1", + "name": "Melengestrol acetate", + "names": [ + "17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate", + "17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione", + "Melengestrol acetate" + ] + }, + { + "compound_id": "C14643", + "inchi": "InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1", + "name": "Medrysone", + "names": [ + "11beta-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione", + "Medrysone" + ] + }, + { + "compound_id": "C14644", + "inchi": "InChI=1S/C7H7BrN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)", + "name": "4-Bromophenylthiourea", + "names": [ + "4-Bromophenylthiourea", + "N-p-Bromophenylthiourea" + ] + }, + { + "compound_id": "C14645", + "inchi": "InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1", + "name": "Estradiol-17-phenylpropionate", + "names": [ + "Estra-1,3,5(10)-triene-3,17beta-diol 17-benzenepropionate", + "Estradiol-17-phenylpropionate" + ] + }, + { + "compound_id": "C14646", + "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11-12,16-19H,4-8,10H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1", + "name": "Pregna-4,11-diene-3,20-dione", + "names": [ + "11-Dehydroprogesterone", + "Pregna-4,11-diene-3,20-dione" + ] + }, + { + "compound_id": "C14647", + "inchi": "InChI=1S/C21H27BrO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-17H,4-9,11H2,1-3H3/t15-,16+,17+,19-,20+,21+/m1/s1", + "name": "Braxoron", + "names": [ + "9alpha-Bromo-11-oxoprogesterone", + "9alpha-Bromopregn-4-ene-3,11,20-trione", + "Braxoron" + ] + }, + { + "compound_id": "C14648", + "inchi": "InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1", + "name": "6alpha-Chloro-17-acetoxyprogesterone", + "names": [ + "6alpha-Chloro-17-acetoxyprogesterone", + "6alpha-Chloro-17-hydroxypregn-4-ene-3,20-dione acetate" + ] + }, + { + "compound_id": "C14649", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17-,18+,19-/m1/s1", + "name": "15alpha-Hydroxytestosterone", + "names": [ + "15alpha,17beta-Dihydroxyandrost-4-en-3-one", + "15alpha-Hydroxytestosterone" + ] + }, + { + "compound_id": "C14650", + "inchi": "InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", + "name": "3-Hydroxyestra-1,3,5(10),6-tetraen-17-one", + "names": [ + "3-Hydroxyestra-1,3,5(10),6-tetraen-17-one", + "6-Dehydroestrone" + ] + }, + { + "compound_id": "C14651", + "inchi": "InChI=1S/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22+,23-/m1/s1", + "name": "16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate", + "names": [ + "16,17-Epoxydeoxycorticosterone acetate", + "16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate" + ] + }, + { + "compound_id": "C14652", + "inchi": "InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16-,17-,18+,19+,20+/m1/s1", + "name": "19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol", + "names": [ + "17alpha-Ethynylestr-5(10)-ene-3alpha,17beta-diol", + "19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol" + ] + }, + { + "compound_id": "C14653", + "inchi": "InChI=1S/C24H31FO5/c1-13(26)24-19(29-20(2,3)30-24)11-17-16-7-6-14-10-15(27)8-9-21(14,4)23(16,25)18(28)12-22(17,24)5/h8-10,16-19,28H,6-7,11-12H2,1-5H3/t16-,17-,18-,19+,21-,22-,23-,24+/m0/s1", + "name": "Descinolone acetonide", + "names": [ + "21-Deoxytriamcinoline acetonide", + "Descinolone acetonide" + ] + }, + { + "compound_id": "C14654", + "inchi": "InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1", + "name": "12alpha-Hydroxyprogesterone", + "names": [ + "12alpha-Hydroxy-4-pregnene-3,20-dione", + "12alpha-Hydroxyprogesterone" + ] + }, + { + "compound_id": "C14655", + "inchi": "InChI=1S/C20H28O/c1-19(2)10-9-16-15-5-4-13-12-14(21)8-11-20(13,3)18(15)7-6-17(16)19/h12,15,18H,4-11H2,1-3H3/t15-,18-,20-/m0/s1", + "name": "17,17-Dimethyl-18-norandrosta-4,13-dien-3-one", + "names": [ + "17,17-Dimethyl-18-norandrosta-4,13-dien-3-one" + ] + }, + { + "compound_id": "C14656", + "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-14-7-11-6-10-4-2-3-5-12(10)13(11)8-15(14)18/h2-5,7-8,18H,6H2,1H3,(H,16,17)", + "name": "3-Hydroxy-2-acetamidofluorene", + "names": [ + "3-Hydroxy-2-acetamidofluorene", + "N-(3-Hydroxy-2-fluorenyl)acetamide" + ] + }, + { + "compound_id": "C14657", + "inchi": "InChI=1S/C21H14O/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(21)16-11-5-2-6-12-16/h1-14H", + "name": "2,3-Diphenyl-1-indanone", + "names": [ + "2,3-Diphenyl-1-indanone", + "2,3-Diphenyl-1H-inden-1-one", + "2,3-Diphenylindone" + ] + }, + { + "compound_id": "C14658", + "inchi": "InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1", + "name": "Pregnenolone acetate", + "names": [ + "3beta-Hydroxypregn-5-en-20-one acetate", + "Pregnenolone acetate" + ] + }, + { + "compound_id": "C14660", + "inchi": "InChI=1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19)", + "name": "Carbestrol", + "names": [ + "3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid", + "Carbestrol" + ] + }, + { + "compound_id": "C14661", + "inchi": "InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1", + "name": "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol", + "names": [ + "17alpha-Ethyl-17beta-estradiol 3-methyl ether", + "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol" + ] + }, + { + "compound_id": "C14662", + "inchi": "InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+", + "name": "(E)-4-Nitrostilbene", + "names": [ + "(E)-4-Nitrostilbene", + "trans-p-Nitrostilbene" + ] + }, + { + "compound_id": "C14663", + "inchi": "InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1", + "name": "Testosterone isocaproate", + "names": [ + "17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate", + "Testosterone isocaproate" + ] + }, + { + "compound_id": "C14664", + "inchi": "InChI=1S/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1", + "name": "11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide", + "names": [ + "11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide" + ] + }, + { + "compound_id": "C14665", + "inchi": "InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1", + "name": "Oranabol", + "names": [ + "4,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one", + "4-Hydroxy-17alpha-methyltestosterone", + "Oranabol", + "Oxymesterone" + ] + }, + { + "compound_id": "C14666", + "inchi": "InChI=1S/C15H16O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3", + "name": "1-(4-Methoxyphenyl)-2-phenylethane", + "names": [ + "1-(4-Methoxyphenyl)-2-phenylethane", + "1-Methoxy-4-(2-phenylethyl)benzene", + "4-Methoxydibenzyl" + ] + }, + { + "compound_id": "C14667", + "inchi": "InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1", + "name": "Testosterone phenylpropionate", + "names": [ + "17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate", + "Testosterone phenylpropionate" + ] + }, + { + "compound_id": "C14668", + "inchi": "InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1", + "name": "Cortancyl", + "names": [ + "21-Acetoxy-17alpha-hydroxypregna-1,4-diene-3,11,20-trione", + "Cortancyl", + "Prednisone 21-acetate" + ] + }, + { + "compound_id": "C14669", + "inchi": "InChI=1S/C21H29BrO3/c1-11(23)15-6-7-16-14-5-4-12-10-13(24)8-9-20(12,2)17(14)18(25)19(22)21(15,16)3/h10,14-19,25H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1", + "name": "12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione", + "names": [ + "11beta-Hydroxy-12alpha-bromoprogesterone", + "12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C14670", + "inchi": "InChI=1S/C20H26O3/c1-3-19(22)10-8-16-15-5-4-13-12-14(21)6-11-20(13,23)17(15)7-9-18(16,19)2/h1,12,15-17,22-23H,4-11H2,2H3/t15-,16-,17-,18-,19-,20+/m0/s1", + "name": "17-Ethynyl-10-hydroxy-19-nortestosterone", + "names": [ + "10beta-Hydroxynorethindrone", + "17-Ethynyl-10-hydroxy-19-nortestosterone", + "17alpha-Ethinyl-10beta,17beta-dihydroxy-4-estren-3-one" + ] + }, + { + "compound_id": "C14671", + "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13-,14-,17+,18-,19-/m0/s1", + "name": "11-Ketoandrosterone", + "names": [ + "11-Ketoandrosterone", + "3alpha-Hydroxy-5alpha-androstane-11,17-dione" + ] + }, + { + "compound_id": "C14672", + "inchi": "InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H", + "name": "p-Chlorobenzhydrol", + "names": [ + "(4-Chlorophenyl)phenylmethanol", + "p-Chlorobenzhydrol" + ] + }, + { + "compound_id": "C14673", + "inchi": "InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1", + "name": "Cholesta-5,7-dien-3beta-ol benzoate", + "names": [ + "7-Dehydrocholesterol benzoate", + "Cholesta-5,7-dien-3beta-ol benzoate" + ] + }, + { + "compound_id": "C14674", + "inchi": "InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28?,29-/m1/s1", + "name": "16alpha,17alpha-Dihydroxyprogesterone acetophenide", + "names": [ + "16alpha,17alpha-Dihydroxyprogesterone acetophenide" + ] + }, + { + "compound_id": "C14675", + "inchi": "InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1", + "name": "11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate", + "names": [ + "11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate", + "Corticosterone 21-acetate" + ] + }, + { + "compound_id": "C14676", + "inchi": "InChI=1S/C21H29ClO2/c1-12(23)14-6-7-15-13-4-5-17-19(22)18(24)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,20+,21+/m0/s1", + "name": "4-Chloroprogesterone", + "names": [ + "4-Chloropregn-4-ene-3,20-dione", + "4-Chloroprogesterone" + ] + }, + { + "compound_id": "C14677", + "inchi": "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1", + "name": "1-Dehydroprogesterone", + "names": [ + "1-Dehydroprogesterone", + "Pregna-1,4-diene-3,20-dione", + "delta1-Progesterone" + ] + }, + { + "compound_id": "C14678", + "inchi": "InChI=1S/C15H13NO2/c1-9(17)16-12-5-6-13-11(8-12)7-10-3-2-4-14(18)15(10)13/h2-6,8,18H,7H2,1H3,(H,16,17)", + "name": "5-Hydroxy-2-acetamidofluorene", + "names": [ + "5-Hydroxy-2-acetamidofluorene", + "N-(5-Hydroxy-2-fluorenyl)acetamide" + ] + }, + { + "compound_id": "C14679", + "inchi": "InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+", + "name": "p-Methoxystilbene", + "names": [ + "1-(p-Methoxyphenyl)-2-phenylethene", + "p-Methoxystilbene" + ] + }, + { + "compound_id": "C14680", + "inchi": "InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1", + "name": "5beta-Pregnane-3alpha,17alpha,20alpha-triol", + "names": [ + "5beta-Pregnane-3alpha,17alpha,20alpha-triol" + ] + }, + { + "compound_id": "C14681", + "inchi": "InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1", + "name": "16-alpha,17-Epoxypregn-4-ene-3,20-dione", + "names": [ + "16-alpha,17-Epoxypregn-4-ene-3,20-dione", + "16alpha,17alpha-Epoxyprogesterone" + ] + }, + { + "compound_id": "C14682", + "inchi": "InChI=1S/C19H28O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,15-18,20H,3,5-11H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1", + "name": "3-Methoxyestra-2,5(10)-dien-17beta-ol", + "names": [ + "3-Methoxyestra-2,5(10)-dien-17beta-ol" + ] + }, + { + "compound_id": "C14683", + "inchi": "InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1", + "name": "11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one", + "names": [ + "11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one", + "11beta-Hydroxy-17alpha-methyltestosterone" + ] + }, + { + "compound_id": "C14684", + "inchi": "InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,12,15,17,22H,4-6,8-11H2,1-3H3/t15-,17+,18+,19+,20+/m1/s1", + "name": "17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one", + "names": [ + "17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one", + "4,9(11)-Androstadien-17alpha-methyl-17beta-ol-3-one" + ] + }, + { + "compound_id": "C14685", + "inchi": "InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2", + "name": "1,2-Dihydrostilbene", + "names": [ + "1,2-Dihydrostilbene", + "1,2-Diphenylethane", + "Dibenzyl" + ] + }, + { + "compound_id": "C14686", + "inchi": "InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2", + "name": "Dicyclohexylamine", + "names": [ + "Dicyclohexylamine", + "N-Cyclohexylcyclohexanamine" + ] + }, + { + "compound_id": "C14687", + "inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3", + "name": "2-Ethoxyethanol", + "names": [ + "2-Ethoxyethanol" + ] + }, + { + "compound_id": "C14688", + "inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2", + "name": "Bis(2-chloroethyl)ether", + "names": [ + "1,5-Dichloro-3-oxapentane", + "2,2'-Dichlorethyl ether", + "Bis(2-chloroethyl)ether" + ] + }, + { + "compound_id": "C14689", + "inchi": "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2", + "name": "Diethylene glycol", + "names": [ + "1,5-Dihydroxy-3-oxapentane", + "2,2'-Oxydiethanol", + "Diethylene glycol" + ] + }, + { + "compound_id": "C14690", + "inchi": "InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2", + "name": "Tetraethylenepentamine", + "names": [ + "1,11-Diamino-3,6,9-triazaundecane", + "Tetraethylenepentamine" + ] + }, + { + "compound_id": "C14691", + "inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3", + "name": "Triethylamine", + "names": [ + "N,N-Diethylethanamine", + "Triethylamine" + ] + }, + { + "compound_id": "C14692", + "inchi": "InChI=1S/CHBr2Cl/c2-1(3)4/h1H", + "name": "Chlorodibromomethane", + "names": [ + "Chlorodibromomethane", + "Dibromochloromethane" + ] + }, + { + "compound_id": "C14693", + "inchi": "InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3", + "name": "2,6-Di-t-butyl-4-methylphenol", + "names": [ + "2,6-Bis(1,1-dimethylethyl)-4-methylphenol", + "2,6-Di-t-butyl-4-methylphenol", + "2,6-Di-tert-butyl-p-cresol", + "BHT", + "Butylated hydroxytoluene", + "Butylhydroxytoluene" + ] + }, + { + "compound_id": "C14694", + "inchi": "InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H", + "name": "N-Phenyl-2-naphthylamine", + "names": [ + "2-Phenylaminonaphthalene", + "N-Phenyl-2-naphthylamine", + "Neozone" + ] + }, + { + "compound_id": "C14695", + "inchi": "InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)", + "name": "Nitrilotriacetic acid", + "names": [ + "Nitrilotriacetate", + "Nitrilotriacetic acid", + "Triglycollamic acid" + ] + }, + { + "compound_id": "C14696", + "inchi": "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3", + "name": "1-Nonanol", + "names": [ + "1-Hydroxynonane", + "1-Nonanol", + "n-Nonyl alcohol" + ] + }, + { + "compound_id": "C14697", + "inchi": "InChI=1S/C11H16O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h5-9,12H,3-4H2,1-2H3", + "name": "4-Isopentylphenol", + "names": [ + "4-Isopentylphenol", + "p-Isoamylphenol" + ] + }, + { + "compound_id": "C14698", + "inchi": "InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3", + "name": "4-n-Heptylphenol", + "names": [ + "4-n-Heptylphenol", + "p-Heptylphenol", + "p-Hydroxyheptylbenzene" + ] + }, + { + "compound_id": "C14699", + "inchi": "InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H", + "name": "1-Hydroxychlordene", + "names": [ + "1-Hydroxychlordene", + "Chlordene hydroxide" + ] + }, + { + "compound_id": "C14700", + "inchi": "InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3", + "name": "2-Chloro-1,1,2-trifluoroethyl ethyl ether", + "names": [ + "2-Chloro-1,1,2-trifluoroethyl ethyl ether", + "Ethoxyflurane" + ] + }, + { + "compound_id": "C14701", + "inchi": "InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2", + "name": "Paraquat", + "names": [ + "1,1'-Dimethyl-4,4'-bipyridinium", + "Paraquat" + ] + }, + { + "compound_id": "C14702", + "inchi": "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H", + "name": "1,2-Dinitrobenzene", + "names": [ + "1,2-Dinitrobenzene", + "o-Dinitrobenzene" + ] + }, + { + "compound_id": "C14703", + "inchi": "InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3", + "name": "1,8-Dimethylnaphthalene", + "names": [ + "1,8-Dimethylnaphthalene" + ] + }, + { + "compound_id": "C14704", + "inchi": "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3", + "name": "N-Nitrosodimethylamine", + "names": [ + "Dimethylnitrosamine", + "N-Nitrosodimethylamine" + ] + }, + { + "compound_id": "C14705", + "inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2", + "name": "1,1,1,2-Tetrachloroethane", + "names": [ + "1,1,1,2-Tetrachloroethane" + ] + }, + { + "compound_id": "C14706", + "inchi": "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3", + "name": "Diethyl sulfate", + "names": [ + "DES", + "Diethyl sulfate" + ] + }, + { + "compound_id": "C14707", + "inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H", + "name": "Bromoform", + "names": [ + "Bromoform", + "Tribromomethane" + ] + }, + { + "compound_id": "C14708", + "inchi": "InChI=1S/CHBrCl2/c2-1(3)4/h1H", + "name": "Bromodichloromethane", + "names": [ + "Bromodichloromethane" + ] + }, + { + "compound_id": "C14709", + "inchi": "InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3", + "name": "1,1-Dimethylethyl benzoate", + "names": [ + "1,1-Dimethylethyl benzoate", + "tert-Butyl benzoate" + ] + }, + { + "compound_id": "C14710", + "inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3", + "name": "Isobutyl alcohol", + "names": [ + "1-Hydroxymethylpropane", + "2-Methyl-1-propanol", + "Isobutanol", + "Isobutyl alcohol" + ] + }, + { + "compound_id": "C14711", + "inchi": "InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2", + "name": "Nickel chloride", + "names": [ + "Nickel chloride", + "Nickel(II) chloride" + ] + }, + { + "compound_id": "C14712", + "inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2", + "name": "2,5-Dichloroaniline", + "names": [ + "1-Amino-2,5-dichlorobenzene", + "2,5-DCA", + "2,5-Dichloroaniline" + ] + }, + { + "compound_id": "C14713", + "inchi": "InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2", + "name": "2,4-Dinitroaniline", + "names": [ + "1-Amino-2,4-dinitrobenzene", + "2,4-Dinitroaniline" + ] + }, + { + "compound_id": "C14714", + "inchi": "InChI=1S/C14H10Cl4/c15-11-6-4-9(5-7-11)13(14(17)18)10-2-1-3-12(16)8-10/h1-8,13-14H", + "name": "2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane", + "names": [ + "2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane", + "m,p'-DDD" + ] + }, + { + "compound_id": "C14715", + "inchi": "InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3", + "name": "4-Chloro-3,5-dimethylphenol", + "names": [ + "4-Chloro-3,5-dimethylphenol", + "Chloroxylenol" + ] + }, + { + "compound_id": "C14716", + "inchi": "InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3", + "name": "2-Ethylhexyl-4-hydroxybenzoate", + "names": [ + "2-Ethylhexyl-4-hydroxybenzoate" + ] + }, + { + "compound_id": "C14717", + "inchi": "InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1", + "name": "15-Deoxy-delta-12,14-PGJ2", + "names": [ + "15-Deoxy-PGJ2", + "15-Deoxy-delta-12,14-PGJ2", + "15-Deoxy-delta-12,14-prostaglandin J2" + ] + }, + { + "compound_id": "C14718", + "inchi": "InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3", + "name": "Heptyl p-hydroxybenzoate", + "names": [ + "Heptyl p-hydroxybenzoate", + "Heptylparaben" + ] + }, + { + "compound_id": "C14719", + "inchi": "InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)", + "name": "Methallenestrilphenol", + "names": [ + "Methallenestrilphenol", + "N-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid", + "alpha,alpha-Dimethyl-beta-ethylallenolic acid", + "beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid" + ] + }, + { + "compound_id": "C14720", + "inchi": "InChI=1S/C18H16O4/c1-3-14-15-9-6-12(19)10-16(15)22-18(20)17(14)11-4-7-13(21-2)8-5-11/h4-10,19H,3H2,1-2H3", + "name": "4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin", + "names": [ + "4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin" + ] + }, + { + "compound_id": "C14721", + "inchi": "InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1", + "name": "34a-Deoxy-rifamycin W", + "names": [ + "34a-Deoxy-rifamycin W" + ] + }, + { + "compound_id": "C14722", + "inchi": "InChI=1S/C35H43NO11/c1-13-9-8-10-14(2)34(45)36-21-12-22(37)23-24(30(42)17(5)31(43)25(23)32(21)44)27(39)15(3)11-20-29(41)19(7)33(47-35(20)46)18(6)28(40)16(4)26(13)38/h8-13,16,18-20,26,28-29,33,35,38,40-43,46H,1-7H3,(H,36,45)/b9-8+,14-10-,15-11+/t13-,16+,18+,19+,20-,26-,28+,29?,33-,35?/m0/s1", + "name": "Rifamycin W-hemiacetal", + "names": [ + "Rifamycin W-hemiacetal" + ] + }, + { + "compound_id": "C14723", + "inchi": "InChI=1S/C35H41NO11/c1-13-9-8-10-14(2)34(45)36-21-12-22(37)23-24(30(42)17(5)31(43)25(23)32(21)44)27(39)15(3)11-20-29(41)19(7)33(47-35(20)46)18(6)28(40)16(4)26(13)38/h8-13,16,18-20,26,28-29,33,38,40-43H,1-7H3,(H,36,45)/b9-8+,14-10-,15-11+/t13-,16+,18+,19+,20-,26-,28+,29+,33-/m0/s1", + "name": "Rifamycin Z", + "names": [ + "Rifamycin Z" + ] + }, + { + "compound_id": "C14724", + "inchi": "InChI=1S/C34H41NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36,38-41H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-", + "name": "Demethyl-desacetyl-rifamycin S", + "names": [ + "Demethyl-desacetyl-rifamycin S" + ] + }, + { + "compound_id": "C14725", + "inchi": "InChI=1S/C34H43NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36-42H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34?/m0/s1", + "name": "Demethyl-desacetyl-rifamycin SV", + "names": [ + "Demethyl-desacetyl-rifamycin SV" + ] + }, + { + "compound_id": "C14726", + "inchi": "InChI=1S/C12H3Cl7O/c13-5-1-3(7(15)10(18)9(5)17)4-2-6(14)12(20)11(19)8(4)16/h1-2,20H", + "name": "2,2',3,3',4',5,5'-Heptachloro-4-biphenylol", + "names": [ + "2,2',3,3',4',5,5'-Heptachloro-4-biphenylol" + ] + }, + { + "compound_id": "C14727", + "inchi": "InChI=1S/C36H45NO12/c1-15-10-9-11-16(2)35(46)37-22-14-24(40)25-26(31(22)44)30(43)20(6)33-27(25)34(45)36(8,49-33)47-13-12-23(39)17(3)32(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-15,17-19,23,28-29,32,39-44H,1-8H3,(H,37,46)/b10-9+,13-12+,16-11-/t15-,17+,18+,19+,23-,28-,29+,32+,36?/m0/s1", + "name": "27-O-Demethyl-rifamycin SV", + "names": [ + "27-O-Demethyl-rifamycin SV" + ] + }, + { + "compound_id": "C14728", + "inchi": "InChI=1S/C12H4Cl6O/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)12(19)11(18)9(5)16/h1-3,19H", + "name": "2,2',3,3',4',5-Hexachloro-4-biphenylol", + "names": [ + "2,2',3,3',4',5-Hexachloro-4-biphenylol" + ] + }, + { + "compound_id": "C14729", + "inchi": "InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H", + "name": "2',3,3',4',5-Pentachloro-4-biphenylol", + "names": [ + "2',3,3',4',5-Pentachloro-4-biphenylol" + ] + }, + { + "compound_id": "C14730", + "inchi": "InChI=1S/C12H4Cl6O/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)12(19)11(18)10(5)17/h1-3,19H", + "name": "2,2',3,4',5,5'-Hexachloro-4-biphenylol", + "names": [ + "2,2',3,4',5,5'-Hexachloro-4-biphenylol" + ] + }, + { + "compound_id": "C14731", + "inchi": "InChI=1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1", + "name": "16alpha-Bromo-17beta-estradiol", + "names": [ + "16alpha-Bromo-1,3,5(10)-estratriene-3,17beta-diol", + "16alpha-Bromo-17beta-estradiol" + ] + }, + { + "compound_id": "C14732", + "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+", + "name": "5-OxoETE", + "names": [ + "(6E,8Z,11Z,14Z)-5-Oxoicosa-6,8,11,14-tetraenoic acid", + "5-OxoETE", + "5-Oxoeicosatetraenoic acid", + "5-Oxoicosatetraenoic acid" + ] + }, + { + "compound_id": "C14733", + "inchi": "InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-2-1-3-7(17)4-6/h1-5,17H", + "name": "2',3',4',5'-Tetrachloro-3-biphenylol", + "names": [ + "2',3',4',5'-Tetrachloro-3-biphenylol", + "2',3',4',5'-Tetrachloro-3-hydroxybiphenyl" + ] + }, + { + "compound_id": "C14734", + "inchi": "InChI=1S/C12H8Cl2O/c13-9-4-5-12(14)11(7-9)8-2-1-3-10(15)6-8/h1-7,15H", + "name": "2',5'-Dichloro-3-biphenylol", + "names": [ + "2',5'-Dichloro-3-biphenylol", + "2',5'-Dichloro-3-hydroxybiphenyl" + ] + }, + { + "compound_id": "C14736", + "inchi": "InChI=1S/C12H8Cl2O/c13-8-5-6-11(14)10(7-8)9-3-1-2-4-12(9)15/h1-7,15H", + "name": "2',5'-Dichloro-2-biphenylol", + "names": [ + "2',5'-Dichloro-2-biphenylol", + "2',5'-Dichloro-2-hydroxybiphenyl" + ] + }, + { + "compound_id": "C14737", + "inchi": "InChI=1S/C12H7Cl3O/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6,16H", + "name": "4,3',5'-Trichloro-4'-biphenol", + "names": [ + "3,4',5-Trichloro-4-biphenylol", + "4,3',5'-Trichloro-4'-biphenol" + ] + }, + { + "compound_id": "C14738", + "inchi": "InChI=1S/C18H20O2/c1-3-15-16-9-8-14(20)10-17(16)11(2)18(15)12-4-6-13(19)7-5-12/h4-11,15,18-20H,3H2,1-2H3", + "name": "Indanestrol", + "names": [ + "Indanestrol" + ] + }, + { + "compound_id": "C14739", + "inchi": "InChI=1S/C18H20O4/c1-3-13(11-5-7-15(19)17(21)9-11)14(4-2)12-6-8-16(20)18(22)10-12/h5-10,19-22H,3-4H2,1-2H3/b14-13+", + "name": "alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol", + "names": [ + "3,4,3',4'-Tetrahydroxy-alpha,alpha'-diethylstilbene", + "alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol" + ] + }, + { + "compound_id": "C14740", + "inchi": "InChI=1S/C18H20O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,19-21H,3-4H2,1-2H3/b16-15+", + "name": "alpha,alpha'-Diethyl-3,4,4'-stilbenetriol", + "names": [ + "(E)-4-[1-Ethyl-2-(4-hydroxyphenyl)-1-butenyl]-1,2-benzenediol", + "3,4,4'-Trihydroxy-alpha,alpha'-diethylstilbene", + "alpha,alpha'-Diethyl-3,4,4'-stilbenetriol" + ] + }, + { + "compound_id": "C14741", + "inchi": "InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3", + "name": "4-Isopropyl-3-methylphenol", + "names": [ + "4-Isopropyl-3-methylphenol", + "4-Isopropyl-m-cresol", + "o-Cymen-5y-ol" + ] + }, + { + "compound_id": "C14742", + "inchi": "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H", + "name": "N-Nitrosodiphenylamine", + "names": [ + "N-Nitrosodiphenylamine" + ] + }, + { + "compound_id": "C14743", + "inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3", + "name": "Isophorone", + "names": [ + "1,1,3-Trimethyl-3-cyclohexene-5-one", + "Isophorone" + ] + }, + { + "compound_id": "C14744", + "inchi": "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3", + "name": "Dacthal", + "names": [ + "Chlorthal-dimethyl", + "Dacthal", + "Dimethyl 2,3,5,6-tetrachloroterephthalate" + ] + }, + { + "compound_id": "C14745", + "inchi": "InChI=1S/C21H21NO4/c1-5-22-20-11-10-18(26-15(4)24)12-19(20)13(2)21(22)16-6-8-17(9-7-16)25-14(3)23/h6-12H,5H2,1-4H3", + "name": "Zindoxifene", + "names": [ + "Zindoxifene" + ] + }, + { + "compound_id": "C14746", + "inchi": "InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+", + "name": "Chlordimeform", + "names": [ + "Chlordimeform", + "Chlorphenamidine", + "N'-(4-Chloro-2-methylphenyl)-N,N-dimethylformamidine" + ] + }, + { + "compound_id": "C14747", + "inchi": "InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2", + "name": "2,2'-Bisphenol F", + "names": [ + "2,2'-Bisphenol F", + "Bis(2-hydroxyphenyl)methane" + ] + }, + { + "compound_id": "C14748", + "inchi": "InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-", + "name": "20-HETE", + "names": [ + "(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid", + "20-HETE", + "20-Hydroxy arachidonic acid", + "20-Hydroxyeicosatetraenoic acid", + "20-Hydroxyicosatetraenoic acid" + ] + }, + { + "compound_id": "C14749", + "inchi": "InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-/t19-/m1/s1", + "name": "19(S)-HETE", + "names": [ + "(19S)-Hydroxy arachidonic acid", + "(19S)-Hydroxyeicosatetraenoic acid", + "(19S)-Hydroxyicosatetraenoic acid", + "19(S)-HETE" + ] + }, + { + "compound_id": "C14750", + "inchi": "InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1", + "name": "alpha-Zearalenol", + "names": [ + "alpha-Zearalenol", + "trans-Zearalenol" + ] + }, + { + "compound_id": "C14751", + "inchi": "InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1", + "name": "beta-Zearalenol", + "names": [ + "beta-Zearalenol", + "beta-trans-Zearalenol" + ] + }, + { + "compound_id": "C14752", + "inchi": "InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1", + "name": "alpha-Zearalanol", + "names": [ + "Zeranol", + "alpha-Zearalanol" + ] + }, + { + "compound_id": "C14753", + "inchi": "InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1", + "name": "beta-Zearalanol", + "names": [ + "Taleranol", + "beta-Zearalanol" + ] + }, + { + "compound_id": "C14754", + "inchi": "InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1", + "name": "Zearalanone", + "names": [ + "(S)-Zearalanone", + "Zearalanone" + ] + }, + { + "compound_id": "C14755", + "inchi": "InChI=1S/C12H9ClO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H", + "name": "2-Chloro-4-biphenylol", + "names": [ + "2-Chloro-4-biphenylol", + "2-Chloro-4-hydroxybiphenyl" + ] + }, + { + "compound_id": "C14756", + "inchi": "InChI=1S/C12H5Cl5O/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(18)11(16)12(10)17/h1-4,18H", + "name": "2,2',3,6,6'-Pentachloro-4-biphenylol", + "names": [ + "2,2',3,6,6'-Pentachloro-4-biphenylol" + ] + }, + { + "compound_id": "C14757", + "inchi": "InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1", + "name": "Moxestrol", + "names": [ + "11beta-Methoxy-17alpha-ethinylestradiol", + "17alpha-Ethinyl-11beta-methoxy-1,3,5(10)-estratrien-3,17-diol", + "Moxestrol" + ] + }, + { + "compound_id": "C14758", + "inchi": "InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1", + "name": "ICI 164384", + "names": [ + "ICI 164384", + "N-n-Butyl-N-methyl-11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl]undecanamide" + ] + }, + { + "compound_id": "C14759", + "inchi": "InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2", + "name": "4,4'-Diaminodiphenyl ether", + "names": [ + "4,4'-Diaminodiphenyl ether", + "4,4'-Oxybisbenzenamine", + "4,4'-Oxydianiline", + "4-Aminophenyl ether" + ] + }, + { + "compound_id": "C14760", + "inchi": "InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;", + "name": "Amaranth", + "names": [ + "Amaranth" + ] + }, + { + "compound_id": "C14761", + "inchi": "InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+", + "name": "trans,trans-1,4-Diphenyl-1,3-butadiene", + "names": [ + "trans,trans-1,4-Diphenyl-1,3-butadiene" + ] + }, + { + "compound_id": "C14762", + "inchi": "InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1", + "name": "13(S)-HODE", + "names": [ + "(13S)-Hydroxyoctadecadienoic acid", + "(9Z,11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid", + "13(S)-HODE" + ] + }, + { + "compound_id": "C14763", + "inchi": "InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H/b7-6+", + "name": "trans-4-Hydroxystilbene", + "names": [ + "(E)-4-Stilbenol", + "trans-4-Hydroxystilbene" + ] + }, + { + "compound_id": "C14764", + "inchi": "InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)", + "name": "2-Thiophenesulfonamide", + "names": [ + "2-Thiophenesulfonamide" + ] + }, + { + "compound_id": "C14765", + "inchi": "InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+", + "name": "13-OxoODE", + "names": [ + "(9Z,11E)-13-Oxooctadeca-9,11-dienoic acid", + "13-KODE", + "13-OxoODE" + ] + }, + { + "compound_id": "C14766", + "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+", + "name": "9-OxoODE", + "names": [ + "(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid", + "9-KODE", + "9-OxoODE" + ] + }, + { + "compound_id": "C14767", + "inchi": "InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1", + "name": "9(S)-HODE", + "names": [ + "(10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid", + "(9S)-Hydroxyoctadecadienoic acid", + "9(S)-HODE" + ] + }, + { + "compound_id": "C14768", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-", + "name": "5,6-EET", + "names": [ + "(8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid", + "(8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid", + "5,6-EET" + ] + }, + { + "compound_id": "C14769", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-", + "name": "8,9-EET", + "names": [ + "(5Z,11Z,14Z)-8,9-Epoxyeicosa-5,11,14-trienoic acid", + "(5Z,11Z,14Z)-8,9-Epoxyicosa-5,11,14-trienoic acid", + "8,9-EET" + ] + }, + { + "compound_id": "C14770", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-", + "name": "11,12-EET", + "names": [ + "(5Z,8Z,14Z)-11,12-Epoxyeicosa-5,8,14-trienoic acid", + "(5Z,8Z,14Z)-11,12-Epoxyicosa-5,8,14-trienoic acid", + "11,12-EET" + ] + }, + { + "compound_id": "C14771", + "inchi": "InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-", + "name": "14,15-EET", + "names": [ + "(5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoic acid", + "(5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoic acid", + "14,15-EET" + ] + }, + { + "compound_id": "C14772", + "inchi": "InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-", + "name": "5,6-DHET", + "names": [ + "(8Z,11Z,14Z)-5,6-Dihydroxyeicosa-8,11,14-trienoic acid", + "(8Z,11Z,14Z)-5,6-Dihydroxyicosa-8,11,14-trienoic acid", + "5,6-DHET" + ] + }, + { + "compound_id": "C14773", + "inchi": "InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-", + "name": "8,9-DHET", + "names": [ + "(5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoic acid", + "(5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoic acid", + "8,9-DHET" + ] + }, + { + "compound_id": "C14774", + "inchi": "InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-", + "name": "11,12-DHET", + "names": [ + "(5Z,8Z,14Z)-11,12-Dihydroxyeicosa-5,8,14-trienoic acid", + "(5Z,8Z,14Z)-11,12-Dihydroxyicosa-5,8,14-trienoic acid", + "11,12-DHET" + ] + }, + { + "compound_id": "C14775", + "inchi": "InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-", + "name": "14,15-DHET", + "names": [ + "(5Z,8Z,11Z)-14,15-Dihydroxyeicosa-5,8,11-trienoic acid", + "(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-trienoic acid", + "14,15-DHET" + ] + }, + { + "compound_id": "C14776", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1", + "name": "8(S)-HETE", + "names": [ + "(5Z,9E,11Z,14Z)-(8S)-8-Hydroxyeicosa-5,9,11,14-tetraenoic acid", + "(5Z,9E,11Z,14Z)-(8S)-8-Hydroxyicosa-5,9,11,14-tetraenoic acid", + "8(S)-HETE" + ] + }, + { + "compound_id": "C14777", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1", + "name": "12(S)-HETE", + "names": [ + "(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid", + "(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid", + "12(S)-HETE" + ] + }, + { + "compound_id": "C14778", + "inchi": "InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m1/s1", + "name": "16(R)-HETE", + "names": [ + "(5Z,8Z,11Z,14Z)-(16R)-16-Hydroxyeicosa-5,8,11,14-tetraenoic acid", + "(5Z,8Z,11Z,14Z)-(16R)-16-Hydroxyicosa-5,8,11,14-tetraenoic acid", + "16(R)-HETE" + ] + }, + { + "compound_id": "C14779", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1", + "name": "9(S)-HETE", + "names": [ + "(5Z,7E,11Z,14Z)-(9S)-9-Hydroxyeicosa-5,7,11,14-tetraenoic acid", + "(5Z,7E,11Z,14Z)-(9S)-9-Hydroxyicosa-5,7,11,14-tetraenoic acid", + "9(S)-HETE" + ] + }, + { + "compound_id": "C14780", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1", + "name": "11(R)-HETE", + "names": [ + "(5Z,8Z,12E,14Z)-(11R)-Hydroxyeicosa-5,8,12,14-tetraenoic acid", + "(5Z,8Z,12E,14Z)-(11R)-Hydroxyicosa-5,8,12,14-tetraenoic acid", + "11(R)-HETE" + ] + }, + { + "compound_id": "C14781", + "inchi": "InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1", + "name": "15H-11,12-EETA", + "names": [ + "(5Z,8Z,13E)-(15S)-11,12-Epoxy-15-hydroxyeicosa-5,8,13-trienoic acid", + "(5Z,8Z,13E)-(15S)-11,12-Epoxy-15-hydroxyicosa-5,8,13-trienoic acid", + "15-Hydroxy-11,12-epoxyeicosatrienoic acid", + "15H-11,12-EETA" + ] + }, + { + "compound_id": "C14782", + "inchi": "InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1", + "name": "11,12,15-THETA", + "names": [ + "(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acid", + "(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acid", + "11,12,15-THETA", + "11,12,15-Trihydroxyicosatrienoic acid" + ] + }, + { + "compound_id": "C14783", + "inchi": "InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H", + "name": "1,2-Naphthoquinone", + "names": [ + "1,2-Naphthalenedione", + "1,2-Naphthoquinone" + ] + }, + { + "compound_id": "C14784", + "inchi": "InChI=1S/C10H10O3/c11-7-5-3-1-2-4-6(5)9-10(13-9)8(7)12/h1-4,7-12H", + "name": "1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene", + "names": [ + "1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene" + ] + }, + { + "compound_id": "C14785", + "inchi": "InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H", + "name": "1,4-Dihydroxynaphthalene", + "names": [ + "1,4-Dihydroxynaphthalene", + "1,4-Naphthohydroquinone", + "Naphthalene-1,4-diol" + ] + }, + { + "compound_id": "C14786", + "inchi": "InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m0/s1", + "name": "(1R,2S)-Naphthalene 1,2-oxide", + "names": [ + "(1R,2S)-Naphthalene 1,2-oxide", + "(1R,2S)-Naphthalene epoxide" + ] + }, + { + "compound_id": "C14787", + "inchi": "InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1", + "name": "(1S,2R)-Naphthalene 1,2-oxide", + "names": [ + "(1S,2R)-Naphthalene 1,2-oxide", + "(1S,2R)-Naphthalene epoxide" + ] + }, + { + "compound_id": "C14788", + "inchi": "InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H", + "name": "1-Nitrosonaphthalene", + "names": [ + "1-Nitrosonaphthalene" + ] + }, + { + "compound_id": "C14789", + "inchi": "InChI=1S/C10H9NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H", + "name": "N-Hydroxy-1-aminonaphthalene", + "names": [ + "1-Naphthylhydroxylamine", + "N-Hydroxy-1-aminonaphthalene" + ] + }, + { + "compound_id": "C14790", + "inchi": "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2", + "name": "1-Naphthylamine", + "names": [ + "1-Naphthylamine" + ] + }, + { + "compound_id": "C14791", + "inchi": "InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/t13-,14-,15+,18+/m0/s1", + "name": "(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene", + "names": [ + "(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene" + ] + }, + { + "compound_id": "C14792", + "inchi": "InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/t13-,14-,15-,18-/m0/s1", + "name": "(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene", + "names": [ + "(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene" + ] + }, + { + "compound_id": "C14793", + "inchi": "InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(25)23-14(19(28)22-9-17(26)27)10-31-18-12-4-2-1-3-11(12)5-7-15(18)24/h1-5,7,13-15,18,24H,6,8-10,21H2,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/t13-,14-,15+,18+/m0/s1", + "name": "(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene", + "names": [ + "(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene" + ] + }, + { + "compound_id": "C14794", + "inchi": "InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1", + "name": "2,3-Dinor-8-iso prostaglandin F2alpha", + "names": [ + "2,3-Dinor-8-iso PGF2alpha", + "2,3-Dinor-8-iso prostaglandin F2alpha" + ] + }, + { + "compound_id": "C14795", + "inchi": "InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1", + "name": "2,3-Dinor-8-iso prostaglandin F1alpha", + "names": [ + "2,3-Dinor-8-iso PGF1alpha", + "2,3-Dinor-8-iso prostaglandin F1alpha" + ] + }, + { + "compound_id": "C14796", + "inchi": "InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-13-7-6-10-4-2-3-5-11(10)14(13)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13+,14+/m0/s1", + "name": "(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene", + "names": [ + "(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene" + ] + }, + { + "compound_id": "C14797", + "inchi": "InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-14-11-5-3-2-4-10(11)6-7-13(14)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13+,14+/m0/s1", + "name": "(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene", + "names": [ + "(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene" + ] + }, + { + "compound_id": "C14798", + "inchi": "InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-13-7-6-10-4-2-3-5-11(10)14(13)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13-,14-/m0/s1", + "name": "(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene", + "names": [ + "(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene" + ] + }, + { + "compound_id": "C14799", + "inchi": "InChI=1S/C13H12O4S/c14-10-6-5-8-3-1-2-4-9(8)12(10)18-7-11(15)13(16)17/h1-6,10,12,14H,7H2,(H,16,17)/t10-,12-/m1/s1", + "name": "(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid", + "names": [ + "(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid" + ] + }, + { + "compound_id": "C14800", + "inchi": "InChI=1S/C10H7NO3/c12-11(13)8-3-1-2-7-6(8)4-5-9-10(7)14-9/h1-5,9-10H", + "name": "1-Nitronaphthalene-5,6-oxide", + "names": [ + "1-Nitronaphthalene-5,6-oxide" + ] + }, + { + "compound_id": "C14801", + "inchi": "InChI=1S/C10H9NO4/c12-9-5-4-6-7(10(9)13)2-1-3-8(6)11(14)15/h1-5,9-10,12-13H", + "name": "1-Nitro-5,6-dihydroxy-dihydronaphthalene", + "names": [ + "1,2-Dihydro-5-nitro-1,2-naphthalenediol", + "1-Nitro-5,6-dihydroxy-dihydronaphthalene" + ] + }, + { + "compound_id": "C14802", + "inchi": "InChI=1S/C10H7NO3/c12-11(13)7-3-1-2-6-4-5-8-10(14-8)9(6)7/h1-5,8,10H", + "name": "1-Nitronaphthalene-7,8-oxide", + "names": [ + "1-Nitronaphthalene-7,8-oxide" + ] + }, + { + "compound_id": "C14803", + "inchi": "InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(26)23-12(19(29)22-8-16(27)28)9-34-18-14(25)6-4-10-2-1-3-13(17(10)18)24(32)33/h1-4,6,11-12,14,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t11-,12-,14?,18?/m0/s1", + "name": "1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene", + "names": [ + "1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene" + ] + }, + { + "compound_id": "C14804", + "inchi": "InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(25)23-12(19(29)22-8-16(26)27)9-34-14-6-4-10-2-1-3-13(24(32)33)17(10)18(14)28/h1-4,6,11-12,14,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t11-,12-,14?,18?/m0/s1", + "name": "1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene", + "names": [ + "1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene" + ] + }, + { + "compound_id": "C14805", + "inchi": "InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(25)23-13(19(29)22-8-17(26)27)9-34-15-6-4-10-11(18(15)28)2-1-3-14(10)24(32)33/h1-4,6,12-13,15,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t12-,13-,15?,18?/m0/s1", + "name": "1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene", + "names": [ + "1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene" + ] + }, + { + "compound_id": "C14806", + "inchi": "InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(26)23-13(19(29)22-8-17(27)28)9-34-18-11-2-1-3-14(24(32)33)10(11)4-6-15(18)25/h1-4,6,12-13,15,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t12-,13-,15?,18?/m0/s1", + "name": "1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene", + "names": [ + "1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene" + ] + }, + { + "compound_id": "C14807", + "inchi": "InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+", + "name": "12-OxoETE", + "names": [ + "(5Z,8Z,10E,14Z)-12-Oxoeicosa-5,8,10,14-tetraenoic acid", + "(5Z,8Z,10E,14Z)-12-Oxoicosa-5,8,10,14-tetraenoic acid", + "12-KETE", + "12-OxoETE" + ] + }, + { + "compound_id": "C14808", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1", + "name": "Hepoxilin A3", + "names": [ + "(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoic acid", + "(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid", + "Hepoxilin A3" + ] + }, + { + "compound_id": "C14809", + "inchi": "InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1", + "name": "Trioxilin A3", + "names": [ + "(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid", + "(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid", + "Trioxilin A3" + ] + }, + { + "compound_id": "C14810", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1", + "name": "Hepoxilin B3", + "names": [ + "(5Z,8Z,14Z)-(11R,12S)-11,12-Epoxy-10-hydroxyeicosa-5,8,14-trienoic acid", + "(5Z,8Z,14Z)-(11R,12S)-11,12-Epoxy-10-hydroxyicosa-5,8,14-trienoic acid", + "Hepoxilin B3" + ] + }, + { + "compound_id": "C14811", + "inchi": "InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6-,11-8-,15-12-/t17-,18?,20+/m1/s1", + "name": "Trioxilin B3", + "names": [ + "(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid", + "(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid", + "Trioxilin B3" + ] + }, + { + "compound_id": "C14812", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1", + "name": "12(R)-HPETE", + "names": [ + "(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoic acid", + "(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid", + "12(R)-HPETE" + ] + }, + { + "compound_id": "C14813", + "inchi": "InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+", + "name": "11H-14,15-EETA", + "names": [ + "(5Z,8Z,12E)-14,15-Epoxy-11-hydroxyeicosa-5,8,12-trienoic acid", + "(5Z,8Z,12E)-14,15-Epoxy-11-hydroxyicosa-5,8,12-trienoic acid", + "11-Hydroxy-14,15-EETA", + "11-Hydroxy-14,15-epoxyeicosatrienoic acid", + "11H-14,15-EETA" + ] + }, + { + "compound_id": "C14814", + "inchi": "InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+", + "name": "11,14,15-THETA", + "names": [ + "(5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid", + "(5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoic acid", + "11,14,15-THETA", + "11,14,15-Trihydroxyicosatrienoic acid" + ] + }, + { + "compound_id": "C14815", + "inchi": "InChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1", + "name": "5,6-Epoxytetraene", + "names": [ + "(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyeicosa-7,9,11,13-tetraenoic acid", + "(7E,9E,11Z,13E)-(5S,6S,15S)-5,6-Epoxy-15-hydroxyicosa-7,9,11,13-tetraenoic acid", + "5,6-Epoxytetraene" + ] + }, + { + "compound_id": "C14816", + "inchi": "InChI=1S/C41H49F2N8O9P/c1-3-38(29(2)60-39(52)5-4-20-59-61(54,55)56)51-40(53)50(28-46-51)34-9-7-32(8-10-34)47-16-18-48(19-17-47)33-11-13-35(14-12-33)57-23-30-22-41(58-24-30,25-49-27-44-26-45-49)36-15-6-31(42)21-37(36)43/h6-15,21,26-30,38H,3-5,16-20,22-25H2,1-2H3,(H2,54,55,56)/t29-,30+,38-,41-/m0/s1", + "name": "Sch 59884", + "names": [ + "Sch 59884" + ] + }, + { + "compound_id": "C14817", + "inchi": "InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1", + "name": "BMS 379224", + "names": [ + "BMS 379224" + ] + }, + { + "compound_id": "C14818", + "inchi": "InChI=1S/Fe/q+2", + "name": "Fe2+", + "names": [ + "Fe(II)", + "Fe2+", + "Ferrous ion", + "Iron(2+)" + ] + }, + { + "compound_id": "C14819", + "inchi": "InChI=1S/Fe/q+3", + "name": "Fe3+", + "names": [ + "Fe(III)", + "Fe3+", + "Ferric ion", + "Iron(3+)" + ] + }, + { + "compound_id": "C14820", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1", + "name": "11(R)-HPETE", + "names": [ + "(5Z,8Z,12E,14Z)-(11R)-Hydroperoxyeicosa-5,8,12,14-tetraenoic acid", + "(5Z,8Z,12E,14Z)-(11R)-Hydroperoxyicosa-5,8,12,14-tetraenoic acid", + "11(R)-HPETE" + ] + }, + { + "compound_id": "C14821", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1", + "name": "9(S)-HPETE", + "names": [ + "(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyeicosa-5,7,11,14-tetraenoic acid", + "(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyicosa-5,7,11,14-tetraenoic acid", + "9(S)-HPETE" + ] + }, + { + "compound_id": "C14822", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1", + "name": "12(R)-HETE", + "names": [ + "(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid", + "(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid", + "12(R)-HETE" + ] + }, + { + "compound_id": "C14823", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1", + "name": "8(S)-HPETE", + "names": [ + "(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoic acid", + "(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyicosa-5,9,11,14-tetraenoic acid", + "8(S)-HPETE" + ] + }, + { + "compound_id": "C14824", + "inchi": "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1", + "name": "8(R)-HETE", + "names": [ + "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyeicosa-5,9,11,14-tetraenoate", + "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyeicosa-5,9,11,14-tetraenoic acid", + "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyicosa-5,9,11,14-tetraenoate", + "(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyicosa-5,9,11,14-tetraenoic acid", + "8(R)-HETE" + ] + }, + { + "compound_id": "C14825", + "inchi": "InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17+/m0/s1", + "name": "9(10)-EpOME", + "names": [ + "(9R,10S)-(12Z)-9,10-Epoxyoctadecenoic acid", + "9(10)-EpOME" + ] + }, + { + "compound_id": "C14826", + "inchi": "InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1", + "name": "12(13)-EpOME", + "names": [ + "(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid", + "12(13)-EpOME" + ] + }, + { + "compound_id": "C14827", + "inchi": "InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1", + "name": "9(S)-HPODE", + "names": [ + "(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid", + "(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate", + "9(S)-HPOD", + "9(S)-HPODE" + ] + }, + { + "compound_id": "C14828", + "inchi": "InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-", + "name": "9,10-DHOME", + "names": [ + "(12Z)-9,10-Dihydroxyoctadec-12-enoic acid", + "9,10-DHOA", + "9,10-DHOME" + ] + }, + { + "compound_id": "C14829", + "inchi": "InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-", + "name": "12,13-DHOME", + "names": [ + "(9Z)-12,13-Dihydroxyoctadec-9-enoic acid", + "12,13-DHOA", + "12,13-DHOME" + ] + }, + { + "compound_id": "C14830", + "inchi": "InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,8+,9+,10+,11-,14+,15+/m0/s1", + "name": "GDP-4-keto-6-L-deoxygalactose", + "names": [ + "GDP-4-keto-6-L-deoxygalactose" + ] + }, + { + "compound_id": "C14831", + "inchi": "InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/b7-6-,14-11-/t17-/m0/s1", + "name": "8(R)-HPODE", + "names": [ + "(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid", + "8(R)-HPODE" + ] + }, + { + "compound_id": "C14832", + "inchi": "InChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/t15-,16-,17+/m0/s1", + "name": "12,13-Epoxy-9-hydroxy-10-octadecenoate", + "names": [ + "(10E)-(9S,12R,13S)-12,13-Epoxy-9-hydroxyoctadec-10-enoic acid", + "12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid", + "12,13-Epoxy-9-hydroxy-10-octadecenoate" + ] + }, + { + "compound_id": "C14833", + "inchi": "InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1", + "name": "9,12,13-TriHOME", + "names": [ + "(10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoic acid", + "9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoic acid", + "9,12,13-TriHOME" + ] + }, + { + "compound_id": "C14834", + "inchi": "InChI=1S/C18H32O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+", + "name": "9,10-Epoxy-13-hydroxy-11-octadecenoate", + "names": [ + "(11E)-9,10-Epoxyoctadecenoic acid", + "9,10-Epoxy-13-hydroxy-11-octadecenoate" + ] + }, + { + "compound_id": "C14835", + "inchi": "InChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+", + "name": "9,10,13-TriHOME", + "names": [ + "(11E)-9,10,13-Trihydroxyoctadec-11-enoic acid", + "9,10,13-TriHOME", + "9,10,13-Trihydroxyoctadec-11-enoic acid" + ] + }, + { + "compound_id": "C14836", + "inchi": "InChI=1S/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)", + "name": "9,10-12,13-Diepoxyoctadecanoate", + "names": [ + "9,10-12,13-Diepoxyoctadecanoate", + "9,10-12,13-Diepoxyoctadecanoic acid" + ] + }, + { + "compound_id": "C14837", + "inchi": "InChI=1S/C18H34O5/c1-2-3-7-11-16-17(23-16)13-15(20)14(19)10-8-5-4-6-9-12-18(21)22/h14-17,19-20H,2-13H2,1H3,(H,21,22)", + "name": "9,10-Dihydroxy-12,13-epoxyoctadecanoate", + "names": [ + "9,10-Dihydroxy-12,13-epoxyoctadecanoate", + "9,10-Dihydroxy-12,13-epoxyoctadecanoic acid" + ] + }, + { + "compound_id": "C14838", + "inchi": "InChI=1S/C18H13ClN2O2S/c19-13-5-7-14(8-6-13)21-17(22)11-12-9-10-24(23)16-4-2-1-3-15(16)18(12)20-21/h1-8,11H,9-10H2", + "name": "Y 23684", + "names": [ + "2-(4-Chlorophenyl)-5,6-dihydro-[1]benzothepino[5,4-c]pyridazin-3(2H)-one-7-oxide", + "Y 23684" + ] + }, + { + "compound_id": "C14839", + "inchi": "InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H", + "name": "Bromobenzene-3,4-oxide", + "names": [ + "Bromobenzene-3,4-epoxide", + "Bromobenzene-3,4-oxide" + ] + }, + { + "compound_id": "C14840", + "inchi": "InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H", + "name": "Bromobenzene-2,3-oxide", + "names": [ + "Bromobenzene-2,3-epoxide", + "Bromobenzene-2,3-oxide" + ] + }, + { + "compound_id": "C14841", + "inchi": "InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H", + "name": "2-Bromophenol", + "names": [ + "2-Bromophenol", + "o-Bromophenol" + ] + }, + { + "compound_id": "C14842", + "inchi": "InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H", + "name": "Bromobenzene-2,3-dihydrodiol", + "names": [ + "3-Bromo-3,5-cyclohexadiene-1,2-diol", + "Bromobenzene-2,3-dihydrodiol" + ] + }, + { + "compound_id": "C14843", + "inchi": "InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H", + "name": "4-Bromocatechol", + "names": [ + "4-Bromocatechol" + ] + }, + { + "compound_id": "C14844", + "inchi": "InChI=1S/C6H7BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H", + "name": "Bromobenzene-3,4-dihydrodiol", + "names": [ + "4-Bromo-3,5-cyclohexadiene-1,2-diol", + "Bromobenzene-3,4-dihydrodiol" + ] + }, + { + "compound_id": "C14845", + "inchi": "InChI=1S/C6H5BrO2/c7-3-1-2-4(8)6-5(3)9-6/h1-2,5-6,8H", + "name": "4-Bromophenol-2,3-epoxide", + "names": [ + "4-Bromophenol-2,3-epoxide" + ] + }, + { + "compound_id": "C14846", + "inchi": "InChI=1S/C6H3BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3H", + "name": "4-Bromo-3,5-cyclohexadiene-1,2-dione", + "names": [ + "4-Bromo-1,2-benzoquinone", + "4-Bromo-3,5-cyclohexadiene-1,2-dione" + ] + }, + { + "compound_id": "C14847", + "inchi": "InChI=1S/C16H22BrN3O7S/c17-8-1-3-12(11(21)5-8)28-7-10(15(25)19-6-14(23)24)20-13(22)4-2-9(18)16(26)27/h1,3,5,9-12,21H,2,4,6-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,12?/m0/s1", + "name": "3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene", + "names": [ + "3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene" + ] + }, + { + "compound_id": "C14848", + "inchi": "InChI=1S/C16H22BrN3O7S/c17-8-2-1-3-11(21)14(8)28-7-10(15(25)19-6-13(23)24)20-12(22)5-4-9(18)16(26)27/h1-3,9-11,14,21H,4-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,14?/m0/s1", + "name": "2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene", + "names": [ + "2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene" + ] + }, + { + "compound_id": "C14849", + "inchi": "InChI=1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H", + "name": "Benzo[a]pyrene-9,10-oxide", + "names": [ + "Benzo[a]pyrene-9,10-epoxide", + "Benzo[a]pyrene-9,10-oxide" + ] + }, + { + "compound_id": "C14850", + "inchi": "InChI=1S/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H", + "name": "Benzo[a]pyrene-7,8-oxide", + "names": [ + "Benzo[a]pyrene-7,8-epoxide", + "Benzo[a]pyrene-7,8-oxide" + ] + }, + { + "compound_id": "C14851", + "inchi": "InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H", + "name": "Benzo[a]pyrene-4,5-oxide", + "names": [ + "Benzo[a]pyrene-4,5-epoxide", + "Benzo[a]pyrene-4,5-oxide" + ] + }, + { + "compound_id": "C14852", + "inchi": "InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H", + "name": "Benzo[a]pyrene-7,8-diol", + "names": [ + "Benzo[a]pyrene-7,8-dihydrodiol", + "Benzo[a]pyrene-7,8-diol" + ] + }, + { + "compound_id": "C14853", + "inchi": "InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H", + "name": "Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide", + "names": [ + "7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide", + "Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide" + ] + }, + { + "compound_id": "C14854", + "inchi": "InChI=1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H", + "name": "9-Hydroxybenzo[a]pyrene-4,5-oxide", + "names": [ + "9-Hydroxybenzo[a]pyrene-4,5-epoxide", + "9-Hydroxybenzo[a]pyrene-4,5-oxide" + ] + }, + { + "compound_id": "C14855", + "inchi": "InChI=1S/C30H29N3O7S/c31-21(30(39)40)10-11-23(34)33-22(29(38)32-13-24(35)36)14-41-28-20-12-16-4-1-2-6-17(16)18-9-8-15-5-3-7-19(27(28)37)25(15)26(18)20/h1-9,12,21-22,27-28,37H,10-11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,27?,28?/m0/s1", + "name": "4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene", + "names": [ + "4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene" + ] + }, + { + "compound_id": "C14856", + "inchi": "InChI=1S/C30H29N3O7S/c31-21(30(39)40)9-11-24(34)33-22(29(38)32-13-25(35)36)14-41-23-10-8-18-19-7-6-16-3-1-2-15-4-5-17(27(19)26(15)16)12-20(18)28(23)37/h1-8,10,12,21-23,28,37H,9,11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,23?,28?/m0/s1", + "name": "7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene", + "names": [ + "7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene" + ] + }, + { + "compound_id": "C14857", + "inchi": "InChI=1S/C2H2Cl2O/c3-2(4)1-5-2/h1H2", + "name": "1,1-Dichloroethylene epoxide", + "names": [ + "1,1-Dichloroethylene epoxide", + "2,2-Dichlorooxirane" + ] + }, + { + "compound_id": "C14858", + "inchi": "InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H", + "name": "2,2-Dichloroacetaldehyde", + "names": [ + "2,2-Dichloroacetaldehyde" + ] + }, + { + "compound_id": "C14859", + "inchi": "InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2", + "name": "Chloroacetyl chloride", + "names": [ + "Chloroacetyl chloride" + ] + }, + { + "compound_id": "C14860", + "inchi": "InChI=1S/C2H4Cl2O2/c3-1(4)2(5)6/h1-2,5-6H", + "name": "2,2-Dichloro-1,1-ethanediol", + "names": [ + "2,2-Dichloro-1,1-ethanediol" + ] + }, + { + "compound_id": "C14861", + "inchi": "InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1", + "name": "S-(2,2-Dichloro-1-hydroxy)ethyl glutathione", + "names": [ + "S-(2,2-Dichloro-1-hydroxy)ethyl glutathione" + ] + }, + { + "compound_id": "C14862", + "inchi": "InChI=1S/C12H19N3O8S/c13-6(12(22)23)1-2-8(16)15-7(4-24-5-10(19)20)11(21)14-3-9(17)18/h6-7H,1-5,13H2,(H,14,21)(H,15,16)(H,17,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1", + "name": "2-S-Glutathionyl acetate", + "names": [ + "2-S-Glutathionyl acetate", + "S-(Carboxymethyl)glutathione" + ] + }, + { + "compound_id": "C14863", + "inchi": "InChI=1S/C22H34N6O13S2/c23-10(21(38)39)1-3-14(29)27-12(19(36)25-5-16(31)32)7-42-9-18(35)43-8-13(20(37)26-6-17(33)34)28-15(30)4-2-11(24)22(40)41/h10-13H,1-9,23-24H2,(H,25,36)(H,26,37)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,38,39)(H,40,41)/t10-,11-,12-,13-/m0/s1", + "name": "2-(S-Glutathionyl)acetyl glutathione", + "names": [ + "2-(S-Glutathionyl)acetyl glutathione" + ] + }, + { + "compound_id": "C14864", + "inchi": "InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1", + "name": "S-(2-Chloroacetyl)glutathione", + "names": [ + "S-(2-Chloroacetyl)glutathione" + ] + }, + { + "compound_id": "C14865", + "inchi": "InChI=1S/C12H18ClN3O7S/c13-8(17)5-24-4-7(11(21)15-3-10(19)20)16-9(18)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1", + "name": "2-(S-Glutathionyl)acetyl chloride", + "names": [ + "2-(S-Glutathionyl)acetyl chloride" + ] + }, + { + "compound_id": "C14866", + "inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H", + "name": "Chloral", + "names": [ + "Chloral", + "Trichloroacetaldehyde" + ] + }, + { + "compound_id": "C14867", + "inchi": "InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H", + "name": "Dichloroacetyl chloride", + "names": [ + "Dichloroacetyl chloride" + ] + }, + { + "compound_id": "C14868", + "inchi": "InChI=1S/C12H17Cl2N3O6S/c13-3-8(14)24-5-7(11(21)16-4-10(19)20)17-9(18)2-1-6(15)12(22)23/h3,6-7H,1-2,4-5,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/b8-3-/t6-,7-/m0/s1", + "name": "S-(1,2-Dichlorovinyl)glutathione", + "names": [ + "DCVG", + "S-(1,2-Dichlorovinyl)glutathione" + ] + }, + { + "compound_id": "C14869", + "inchi": "InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1", + "name": "Trichloroethanol glucuronide", + "names": [ + "2,2,2-Trichloroethyl beta-D-glucopyranosiduronic acid", + "Trichloroethanol glucuronide", + "Urochloralic acid" + ] + }, + { + "compound_id": "C14870", + "inchi": "InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2", + "name": "2-Bromoacetaldehyde", + "names": [ + "2-Bromoacetaldehyde" + ] + }, + { + "compound_id": "C14871", + "inchi": "InChI=1S/C12H19N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h3,7-8H,1-2,4-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1", + "name": "S-(Formylmethyl)glutathione", + "names": [ + "S-(Formylmethyl)glutathione" + ] + }, + { + "compound_id": "C14872", + "inchi": "InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)", + "name": "Thiodiacetic acid", + "names": [ + "Thiodiacetic acid" + ] + }, + { + "compound_id": "C14873", + "inchi": "InChI=1S/C4H6O5S/c5-3(6)1-10(9)2-4(7)8/h1-2H2,(H,5,6)(H,7,8)", + "name": "Thiodiacetic acid sulfoxide", + "names": [ + "Thiodiacetic acid sulfoxide" + ] + }, + { + "compound_id": "C14874", + "inchi": "InChI=1S/C12H19N3O6S/c13-7(12(20)21)1-2-9(16)15-8(6-22-3-4-22)11(19)14-5-10(17)18/h7-8H,1-6,13H2,(H3-,14,15,16,17,18,19,20,21)/p+1/t7-,8-/m0/s1", + "name": "Glutathione episulfonium ion", + "names": [ + "Glutathione episulfonium ion" + ] + }, + { + "compound_id": "C14875", + "inchi": "InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1", + "name": "S-(2-Hydroxyethyl)glutathione", + "names": [ + "S-(2-Hydroxyethyl)glutathione" + ] + }, + { + "compound_id": "C14876", + "inchi": "InChI=1S/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1", + "name": "S-(2-Hydroxyethyl)-N-acetyl-L-cysteine", + "names": [ + "S-(2-Hydroxyethyl)-N-acetyl-L-cysteine" + ] + }, + { + "compound_id": "C14877", + "inchi": "InChI=1S/C12H16N6O4S/c1-6(19)15-7(11(21)22)4-23-3-2-18-5-14-9-8(18)10(20)17-12(13)16-9/h5,7H,2-4H2,1H3,(H,15,19)(H,21,22)(H3,13,16,17,20)/t7-/m0/s1", + "name": "S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine", + "names": [ + "S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine" + ] + }, + { + "compound_id": "C14878", + "inchi": "InChI=1S/C21H36O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15+,16-,17-,18+,19+,20-,21-/m0/s1", + "name": "6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol", + "names": [ + "6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol" + ] + }, + { + "compound_id": "C14879", + "inchi": "InChI=1S/C25H36O/c1-23-13-10-18(17-6-4-5-7-17)16-19(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h4-7,19-22,26H,8-16H2,1-3H3/t19-,20+,21-,22-,23-,24-,25-/m0/s1", + "name": "17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol", + "names": [ + "17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol" + ] + }, + { + "compound_id": "C14880", + "inchi": "InChI=1S/C27H34O5/c1-16(28)27-23(31-26(4,32-27)22-6-5-13-30-22)15-21-19-8-7-17-14-18(29)9-11-24(17,2)20(19)10-12-25(21,27)3/h5-6,13-14,19-21,23H,7-12,15H2,1-4H3/t19-,20+,21+,23-,24+,25+,26?,27-/m1/s1", + "name": "16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone", + "names": [ + "16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone" + ] + }, + { + "compound_id": "C14881", + "inchi": "InChI=1S/C21H30O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h13,15-18H,2-12H2,1H3/t13-,15-,16+,17+,18-,20-,21+/m0/s1", + "name": "17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone", + "names": [ + "17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone" + ] + }, + { + "compound_id": "C14882", + "inchi": "InChI=1S/C20H34O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-18,21-22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "2alpha-Methyl-5alpha-androstane-3alpha,17beta-diol", + "names": [ + "2alpha-Methyl-5alpha-androstane-3alpha,17beta-diol" + ] + }, + { + "compound_id": "C14883", + "inchi": "InChI=1S/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17-,18-,19-,20-/m0/s1", + "name": "(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", + "names": [ + "(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol", + "9-Fluoro-17alpha-methyl-5alpha-androstane-3beta,11beta,17-triol" + ] + }, + { + "compound_id": "C14884", + "inchi": "InChI=1S/C17H23NO3/c1-3-21-17(19)13-4-7-16-15-6-5-14(20-2)10-12(15)8-9-18(16)11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16+/m1/s1", + "name": "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester", + "names": [ + "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester" + ] + }, + { + "compound_id": "C14885", + "inchi": "InChI=1S/C20H25FO3/c1-11-8-15-14-5-4-12-9-13(22)6-7-19(12,3)20(14,21)16(23)10-18(15,2)17(11)24/h6-7,9,11,14-16,23H,4-5,8,10H2,1-3H3/t11-,14-,15-,16-,18-,19-,20-/m0/s1", + "name": "9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione", + "names": [ + "9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione" + ] + }, + { + "compound_id": "C14886", + "inchi": "InChI=1S/C19H25FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-16H,3-8,10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1", + "name": "16beta-Fluoroandrost-4-ene-3,17-dione", + "names": [ + "16beta-Fluoroandrost-4-ene-3,17-dione" + ] + }, + { + "compound_id": "C14887", + "inchi": "InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1", + "name": "11alpha,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one", + "names": [ + "11alpha,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one" + ] + }, + { + "compound_id": "C14888", + "inchi": "InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)/t15-/m1/s1", + "name": "(+)-Methallenestrilphenol", + "names": [ + "(+)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid", + "(+)-Methallenestrilphenol", + "(+)-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid" + ] + }, + { + "compound_id": "C14889", + "inchi": "InChI=1S/C21H31FO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1", + "name": "5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate", + "names": [ + "(2beta,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one", + "5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate" + ] + }, + { + "compound_id": "C14890", + "inchi": "InChI=1S/C20H30O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16,18,22H,4-10H2,1-3H3/t12-,14+,15+,16+,18+,19-,20+/m1/s1", + "name": "17beta-Hydroxy-6beta-methylandrost-4-en-3-one", + "names": [ + "17beta-Hydroxy-6beta-methylandrost-4-en-3-one", + "6beta-Methyltestosterone" + ] + }, + { + "compound_id": "C14891", + "inchi": "InChI=1S/C20H30O3/c1-18-7-4-13(21)10-12(18)11-16(22)17-14(18)5-8-19(2)15(17)6-9-20(19,3)23/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1", + "name": "7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one", + "names": [ + "7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one", + "7alpha-Hydroxy-17alpha-methyltestosterone" + ] + }, + { + "compound_id": "C14892", + "inchi": "InChI=1S/C21H28O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,5,7,13,17-19,22-23H,1,4,6,8-12H2,2H3/t17-,18-,19+,20+,21+/m1/s1", + "name": "17-Allylestra-1,3,5(10)-triene-3,17beta-diol", + "names": [ + "17-Allylestra-1,3,5(10)-triene-3,17beta-diol" + ] + }, + { + "compound_id": "C14893", + "inchi": "InChI=1S/C20H13ClN2/c21-17-11-9-15(10-12-17)18(14-22)20(16-6-2-1-3-7-16)19-8-4-5-13-23-19/h1-13H/b20-18-", + "name": "2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile", + "names": [ + "2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile" + ] + }, + { + "compound_id": "C14894", + "inchi": "InChI=1S/C18H18O6/c1-22-12-7-4-11(5-8-12)6-9-13(19)16-14(20)10-15(23-2)17(21)18(16)24-3/h4-10,20-21H,1-3H3/b9-6+", + "name": "3',6'-Dihydroxy-2',4,4'-trimethoxy-chalcone", + "names": [ + "1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one", + "3',6'-Dihydroxy-2',4,4'-trimethoxy-chalcone" + ] + }, + { + "compound_id": "C14895", + "inchi": "InChI=1S/C23H28O10/c1-26-14-11-15(27-2)19(29-4)18(28-3)12(14)9-10-13(24)16-17(25)21(31-6)23(33-8)22(32-7)20(16)30-5/h9-11,25H,1-8H3/b10-9+", + "name": "1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one", + "names": [ + "1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one" + ] + }, + { + "compound_id": "C14896", + "inchi": "InChI=1S/C17H19NO2/c1-18-16(4-3-5-17(18)19)14-7-6-13-11-15(20-2)9-8-12(13)10-14/h3-5,8-9,11,14H,6-7,10H2,1-2H3", + "name": "1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone", + "names": [ + "1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone" + ] + }, + { + "compound_id": "C14897", + "inchi": "InChI=1S/C17H16O2/c1-19-17-9-6-14-10-13(2-3-15(14)11-17)12-4-7-16(18)8-5-12/h4-11,18H,2-3H2,1H3", + "name": "p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol", + "names": [ + "p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol" + ] + }, + { + "compound_id": "C14898", + "inchi": "InChI=1S/C16H18O2/c17-15-6-3-11(4-7-15)12-1-2-14-10-16(18)8-5-13(14)9-12/h3-4,6-7,10,12-13,17H,1-2,5,8-9H2", + "name": "4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone", + "names": [ + "4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone" + ] + }, + { + "compound_id": "C14899", + "inchi": "InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-3,5,7-8,10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,5-/m0/s1", + "name": "3-Dehydro-L-gulonate 6-phosphate", + "names": [ + "3-Dehydro-L-gulonate 6-phosphate" + ] + }, + { + "compound_id": "C14900", + "inchi": "InChI=1S/C16H17NO2/c1-19-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(18)17-15/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,17,18)", + "name": "6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone", + "names": [ + "6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone" + ] + }, + { + "compound_id": "C14901", + "inchi": "InChI=1S/C16H17NO2/c1-17-15(3-2-4-16(17)19)13-6-5-12-10-14(18)8-7-11(12)9-13/h2-4,7-8,10,13,18H,5-6,9H2,1H3", + "name": "1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone", + "names": [ + "1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone" + ] + }, + { + "compound_id": "C14902", + "inchi": "InChI=1S/C15H15NO2/c17-13-7-6-10-8-12(5-4-11(10)9-13)14-2-1-3-15(18)16-14/h1-3,6-7,9,12,17H,4-5,8H2,(H,16,18)", + "name": "6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone", + "names": [ + "6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone" + ] + }, + { + "compound_id": "C14903", + "inchi": "InChI=1S/C15H11NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,17-18H/b13-9+", + "name": "2,3-Bis(p-hydroxyphenyl)acrylonitrile", + "names": [ + "2,3-Bis(p-hydroxyphenyl)acrylonitrile" + ] + }, + { + "compound_id": "C14904", + "inchi": "InChI=1S/C15H12N2O/c1-18-15-6-4-13(5-7-15)14(10-16)9-12-3-2-8-17-11-12/h2-9,11H,1H3/b14-9+", + "name": "alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile", + "names": [ + "alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile" + ] + }, + { + "compound_id": "C14905", + "inchi": "InChI=1S/C14H12Cl2O/c15-11-7-5-10(6-8-11)13(9-17)12-3-1-2-4-14(12)16/h1-8,13,17H,9H2", + "name": "2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol", + "names": [ + "2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol" + ] + }, + { + "compound_id": "C14906", + "inchi": "InChI=1S/C20H32O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h8,14-18,21H,4-7,9-12H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1", + "name": "(5alpha,17beta)-3-Methyl-androst-2-en-17-ol", + "names": [ + "(5alpha,17beta)-3-Methyl-androst-2-en-17-ol" + ] + }, + { + "compound_id": "C14907", + "inchi": "InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h5,7,9,13-17,21-22H,3-4,6,8,10H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-/m0/s1", + "name": "7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one", + "names": [ + "7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one" + ] + }, + { + "compound_id": "C14908", + "inchi": "InChI=1S/C17H23NO3/c1-4-11-10-18-6-5-12-7-16(20-2)17(21-3)8-13(12)14(18)9-15(11)19/h7-8,11,14H,4-6,9-10H2,1-3H3", + "name": "3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one", + "names": [ + "3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one" + ] + }, + { + "compound_id": "C14909", + "inchi": "InChI=1S/C19H24O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-15,22H,3-6,9-10H2,1-2H3/t14-,15-,17-,18-,19+/m0/s1", + "name": "9alpha-Hydroxyandrosta-1,4-diene-3,17-dione", + "names": [ + "9alpha-Hydroxyandrosta-1,4-diene-3,17-dione" + ] + }, + { + "compound_id": "C14910", + "inchi": "InChI=1S/C20H28F2O2/c1-17-9-8-16(23)20(21,22)15(17)5-4-12-13(17)6-10-18(2)14(12)7-11-19(18,3)24/h5,12-14,24H,4,6-11H2,1-3H3/t12-,13+,14+,17-,18+,19+/m1/s1", + "name": "4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one", + "names": [ + "4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one" + ] + }, + { + "compound_id": "C14911", + "inchi": "InChI=1S/C18H28O3/c1-17-8-7-14-12(13(17)5-6-15(17)19)4-3-11-9-16(20)21-10-18(11,14)2/h11-15,19H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17-,18-/m0/s1", + "name": "17beta-Hydroxy-2-oxa-5alpha-androstan-3-one", + "names": [ + "17beta-Hydroxy-2-oxa-5alpha-androstan-3-one" + ] + }, + { + "compound_id": "C14912", + "inchi": "InChI=1S/C19H28O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h12,14-16H,3-11H2,1-2H3/t12-,14+,15-,16-,18-,19-/m0/s1", + "name": "1,2,4,5-Tetrahydrotestolactone", + "names": [ + "1,2,4,5-Tetrahydrotestolactone", + "D-Homo-17a-oxa-5alpha-androstane-3,17-dione" + ] + }, + { + "compound_id": "C14913", + "inchi": "InChI=1S/C20H30O4/c1-12(21)23-16-7-5-14-13-4-6-17-20(3,11-9-18(22)24-17)15(13)8-10-19(14,16)2/h13-17H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19-,20+/m0/s1", + "name": "17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate", + "names": [ + "17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate" + ] + }, + { + "compound_id": "C14914", + "inchi": "InChI=1S/C23H36Cl3N/c1-22-9-7-17(26)15-16(22)3-4-18-19-5-6-21(27(13-11-24)14-12-25)23(19,2)10-8-20(18)22/h3,17-21H,4-15H2,1-2H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", + "name": "3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine", + "names": [ + "3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine" + ] + }, + { + "compound_id": "C14915", + "inchi": "InChI=1S/C24H34O/c1-23-13-11-17(16-5-3-4-6-16)15-18(23)7-8-19-20-9-10-22(25)24(20,2)14-12-21(19)23/h3-6,18-22,25H,7-15H2,1-2H3/t18-,19-,20-,21-,22-,23-,24-/m0/s1", + "name": "3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol", + "names": [ + "3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol" + ] + }, + { + "compound_id": "C14916", + "inchi": "InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)", + "name": "Nirvanol", + "names": [ + "Nirvanol" + ] + }, + { + "compound_id": "C14917", + "inchi": "InChI=1S/C20H23NO3S/c1-18-10-17(24)20(25-11-21)15(14(18)5-6-16(18)23)4-3-12-9-13(22)7-8-19(12,20)2/h9,14-15H,3-8,10H2,1-2H3/t14-,15-,18-,19-,20-/m0/s1", + "name": "9-Thiocyanato-androst-4-ene-3,11,17-trione", + "names": [ + "9-Thiocyanato-androst-4-ene-3,11,17-trione" + ] + }, + { + "compound_id": "C14918", + "inchi": "InChI=1S/C22H29BrO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1", + "name": "9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione", + "names": [ + "9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione" + ] + }, + { + "compound_id": "C14919", + "inchi": "InChI=1S/C22H36O3/c1-20-12-14(13-25-4)19(23)11-15(20)5-6-16-17(20)7-9-21(2)18(16)8-10-22(21,3)24/h14-18,24H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,20-,21-,22-/m0/s1", + "name": "17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one", + "names": [ + "17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one" + ] + }, + { + "compound_id": "C14920", + "inchi": "InChI=1S/C15H11NO3/c1-9(17)16-10-6-7-12-11-4-2-3-5-13(11)15(18)19-14(12)8-10/h2-8H,1H3,(H,16,17)", + "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)acetamide", + "names": [ + "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)acetamide" + ] + }, + { + "compound_id": "C14921", + "inchi": "InChI=1S/C17H17NO2/c1-14(19)12-17(20)18(16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3", + "name": "3-Oxo-N-phenyl-N-(phenylmethyl)butanamide", + "names": [ + "3-Oxo-N-phenyl-N-(phenylmethyl)butanamide" + ] + }, + { + "compound_id": "C14922", + "inchi": "InChI=1S/C23H32O4S/c1-12(24)17-11-18(27)21-20-16(6-8-23(17,21)4)22(3)7-5-15(26)9-14(22)10-19(20)28-13(2)25/h9,16-21,27H,5-8,10-11H2,1-4H3/t16-,17+,18+,19+,20-,21-,22-,23+/m0/s1", + "name": "15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate", + "names": [ + "15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate" + ] + }, + { + "compound_id": "C14923", + "inchi": "InChI=1S/C22H31ClO3/c1-13(24)17-6-7-18-16-5-4-14-10-15(25)8-9-20(14,2)19(16)11-22(26,12-23)21(17,18)3/h10,16-19,26H,4-9,11-12H2,1-3H3/t16-,17+,18-,19-,20-,21+,22-/m0/s1", + "name": "12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione", + "names": [ + "12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C14924", + "inchi": "InChI=1S/C25H32O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,10,18,20,22H,7-9,11-14H2,1-4H3/t18-,20-,22+,24-,25-/m0/s1", + "name": "3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate", + "names": [ + "3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate" + ] + }, + { + "compound_id": "C14925", + "inchi": "InChI=1S/C20H28O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h10-11,14-16,18,22H,4-9H2,1-3H3/t14-,15-,16-,18-,19-,20-/m0/s1", + "name": "17beta-Hydroxy-2-methylandrost-1,4-dien-3-one", + "names": [ + "17beta-Hydroxy-2-methylandrost-1,4-dien-3-one" + ] + }, + { + "compound_id": "C14926", + "inchi": "InChI=1S/C23H31NO3/c1-23-7-6-17-18(20(23)4-5-22(23)26)3-2-15-13-21(25)16(12-19(15)17)14-24-8-10-27-11-9-24/h12-13,17-18,20,25H,2-11,14H2,1H3/t17-,18+,20-,23-/m0/s1", + "name": "3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one", + "names": [ + "2-Morpholinomethylestrone", + "3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one" + ] + }, + { + "compound_id": "C14927", + "inchi": "InChI=1S/C14H11NO4S/c1-20(17,18)15-9-6-7-13-12(8-9)10-4-2-3-5-11(10)14(16)19-13/h2-8,15H,1H3", + "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfonamide", + "names": [ + "N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfonamide" + ] + }, + { + "compound_id": "C14928", + "inchi": "InChI=1S/C28H44N2O2/c1-20(31)32-22-11-13-27(2)21(19-22)7-8-23-24-9-10-26(28(24,3)14-12-25(23)27)29-15-6-18-30-16-4-5-17-30/h7,22-25H,4-6,8-19H2,1-3H3/b29-26+/t22-,23-,24-,25-,27-,28-/m0/s1", + "name": "17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate", + "names": [ + "17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate" + ] + }, + { + "compound_id": "C14929", + "inchi": "InChI=1S/C20H30O3/c1-19-8-6-13(21)10-12(19)4-5-14-15(19)7-9-20(2)16(14)11-17(23-3)18(20)22/h10,14-18,22H,4-9,11H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+/m1/s1", + "name": "17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one", + "names": [ + "17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one" + ] + }, + { + "compound_id": "C14930", + "inchi": "InChI=1S/C20H26O3/c1-19-8-6-13(23-3)10-12(19)11-16(21)18-14-4-5-17(22)20(14,2)9-7-15(18)19/h10-11,14-15,18H,4-9H2,1-3H3/t14-,15-,18-,19-,20-/m0/s1", + "name": "3-Methoxy-androsta-3,5-diene-7,17-dione", + "names": [ + "3-Methoxy-androsta-3,5-diene-7,17-dione" + ] + }, + { + "compound_id": "C14931", + "inchi": "InChI=1S/C23H34O3/c1-4-5-11-23(25)14-20-19-8-6-15-13-16(26-3)7-9-17(15)18(19)10-12-22(20,2)21(23)24/h7,9,13,18-21,24-25H,4-6,8,10-12,14H2,1-3H3/t18-,19-,20+,21-,22+,23+/m1/s1", + "name": "16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol", + "names": [ + "16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol" + ] + }, + { + "compound_id": "C14932", + "inchi": "InChI=1S/C19H30O2/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(21)19(14,2)11-15(20)17(13)18/h12-15,17,20H,3-11H2,1-2H3/t12-,13+,14+,15+,17-,18+,19+/m1/s1", + "name": "11beta-Hydroxy-5alpha-androstan-17-one", + "names": [ + "11beta-Hydroxy-5alpha-androstan-17-one" + ] + }, + { + "compound_id": "C14933", + "inchi": "InChI=1S/C22H36O/c1-4-12-22(23)15-11-19-17-9-8-16-7-5-6-13-20(16,2)18(17)10-14-21(19,22)3/h5-6,16-19,23H,4,7-15H2,1-3H3/t16-,17-,18+,19+,20+,21+,22+/m1/s1", + "name": "17-Propyl-5alpha-androst-2-en-17beta-ol", + "names": [ + "17-Propyl-5alpha-androst-2-en-17beta-ol" + ] + }, + { + "compound_id": "C14934", + "inchi": "InChI=1S/C22H32O3/c1-4-10-22(24)13-19-18-7-5-14-12-15(25-3)6-8-16(14)17(18)9-11-21(19,2)20(22)23/h6,8,12,17-20,23-24H,4-5,7,9-11,13H2,1-3H3/t17-,18-,19+,20-,21+,22+/m1/s1", + "name": "16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol", + "names": [ + "16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol" + ] + }, + { + "compound_id": "C14935", + "inchi": "InChI=1S/C19H20O4/c1-3-17(14-5-4-6-15(11-14)19(22)23)18(12(2)20)13-7-9-16(21)10-8-13/h4-11,17-18,21H,3H2,1-2H3,(H,22,23)", + "name": "m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid", + "names": [ + "m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid" + ] + }, + { + "compound_id": "C14936", + "inchi": "InChI=1S/C16H12ClNO/c1-19-16-7-5-13(6-8-16)14(11-18)9-12-3-2-4-15(17)10-12/h2-10H,1H3/b14-9+", + "name": "2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile", + "names": [ + "2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile" + ] + }, + { + "compound_id": "C14937", + "inchi": "InChI=1S/C23H39NO3/c1-14(25)17-6-7-18-16-12-20(24(4)5)23(27)13-15(26)8-11-22(23,3)19(16)9-10-21(17,18)2/h15-20,26-27H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,21+,22+,23-/m0/s1", + "name": "6beta-(Dimethylamino)-3beta,5-dihydroxy-5alpha-pregnan-20-one", + "names": [ + "6beta-(Dimethylamino)-3beta,5-dihydroxy-5alpha-pregnan-20-one" + ] + }, + { + "compound_id": "C14938", + "inchi": "InChI=1S/C14H15ClN2/c1-2-17(14-5-3-4-10-16-14)11-12-6-8-13(15)9-7-12/h3-10H,2,11H2,1H3", + "name": "N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine", + "names": [ + "N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine" + ] + }, + { + "compound_id": "C14939", + "inchi": "InChI=1S/C22H32O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h10,12,15-16,18-19,25-26H,5-9,11H2,1-4H3/t12-,15-,16-,18-,19+,20-,21-,22-/m0/s1", + "name": "11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", + "names": [ + "11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", + "6alpha-Methyl-11beta,17alpha-dihydroxyprogesterone" + ] + }, + { + "compound_id": "C14940", + "inchi": "InChI=1S/C19H20O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-8,13,20H,9H2,1-4H3", + "name": "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", + "names": [ + "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C14941", + "inchi": null, + "name": "Pyrethrins", + "names": [ + "Pyrethrins", + "Pyrethrum" + ] + }, + { + "compound_id": "C14942", + "inchi": "InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3", + "name": "2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", + "names": [ + "2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C14943", + "inchi": "InChI=1S/C21H22O8/c1-23-11-7-8-14(24-2)12(9-11)15-10-13(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3", + "name": "2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", + "names": [ + "2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C14944", + "inchi": "InChI=1S/C21H22O8/c1-23-12-7-11(8-13(9-12)24-2)15-10-14(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3", + "name": "2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", + "names": [ + "2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C14945", + "inchi": "InChI=1S/C20H30O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,15-18,21-22H,4,6-11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1", + "name": "3-Methoxy-16-methyl-estra-2,5(10)-diene-16beta,17beta-diol", + "names": [ + "3-Methoxy-16-methyl-estra-2,5(10)-diene-16beta,17beta-diol" + ] + }, + { + "compound_id": "C14946", + "inchi": "InChI=1S/C19H24O4/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)17(13)15(21)10-16(22)23-19/h5,7,9,13-15,17,21H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17-,18+,19+/m1/s1", + "name": "1-Dehydro-15alpha-hydroxytestololactone", + "names": [ + "1-Dehydro-15alpha-hydroxytestololactone" + ] + }, + { + "compound_id": "C14947", + "inchi": "InChI=1S/C25H34O4/c1-5-12-25(29-17(3)27)14-11-23-22-8-6-18-15-19(28-16(2)26)7-9-20(18)21(22)10-13-24(23,25)4/h7,9,15,21-23H,5-6,8,10-14H2,1-4H3/t21-,22-,23+,24+,25+/m1/s1", + "name": "17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate", + "names": [ + "17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate" + ] + }, + { + "compound_id": "C14948", + "inchi": "InChI=1S/C21H22O7/c1-6-27-13-9-7-12(8-10-13)15-11-14(22)16-17(23-2)19(24-3)21(26-5)20(25-4)18(16)28-15/h7-11H,6H2,1-5H3", + "name": "2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", + "names": [ + "2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C14949", + "inchi": "InChI=1S/C20H11Cl2NO2/c21-17-6-3-7-18(22)16(17)11-23-12-8-9-14-13-4-1-2-5-15(13)20(24)25-19(14)10-12/h1-11H/b23-11+", + "name": "3-[(2,6-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one", + "names": [ + "3-[(2,6-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one" + ] + }, + { + "compound_id": "C14950", + "inchi": "InChI=1S/C20H11Cl2NO2/c21-13-6-5-12(18(22)9-13)11-23-14-7-8-16-15-3-1-2-4-17(15)20(24)25-19(16)10-14/h1-11H/b23-11+", + "name": "3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one", + "names": [ + "3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one" + ] + }, + { + "compound_id": "C14951", + "inchi": "InChI=1S/C20H12ClNO2/c21-18-8-4-1-5-13(18)12-22-14-9-10-16-15-6-2-3-7-17(15)20(23)24-19(16)11-14/h1-12H/b22-12+", + "name": "3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one", + "names": [ + "3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one" + ] + }, + { + "compound_id": "C14952", + "inchi": "InChI=1S/C13H9NO2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7H,14H2", + "name": "3-Amino-6H-dibenzo[b,d]pyran-6-one", + "names": [ + "3-Amino-6H-dibenzo[b,d]pyran-6-one" + ] + }, + { + "compound_id": "C14953", + "inchi": "InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3", + "name": "2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", + "names": [ + "2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C14954", + "inchi": "InChI=1S/C22H32O3/c1-14(23)25-16-7-10-20(2)15(13-16)5-6-17-18(20)8-11-21(3)19(17)9-12-22(21,4)24/h5-6,13,16-19,24H,7-12H2,1-4H3/t16-,17+,18-,19-,20-,21-,22-/m0/s1", + "name": "17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate", + "names": [ + "17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate" + ] + }, + { + "compound_id": "C14955", + "inchi": "InChI=1S/C22H28O3S/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1", + "name": "17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate", + "names": [ + "17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate" + ] + }, + { + "compound_id": "C14956", + "inchi": "InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-17,21H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,19+,20+/m1/s1", + "name": "3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one", + "names": [ + "2alpha-Methylandrosterone", + "3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one" + ] + }, + { + "compound_id": "C14957", + "inchi": "InChI=1S/C21H29ClO3/c1-12(23)25-13-4-5-16-14-8-9-20(2)17(6-7-19(20)24)15(14)10-18(22)21(16,3)11-13/h13,15,17-18H,4-11H2,1-3H3/t13-,15+,17-,18+,20-,21+/m0/s1", + "name": "3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one", + "names": [ + "3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one" + ] + }, + { + "compound_id": "C14958", + "inchi": "InChI=1S/C19H31NO/c1-18-9-7-14(21)12-13(18)5-6-15-16(18)8-10-19(2)17(15)4-3-11-20-19/h5,14-17,20-21H,3-4,6-12H2,1-2H3/t14-,15+,16-,17-,18-,19-/m0/s1", + "name": "17a-Aza-D-homoandrost-5-en-3beta-ol", + "names": [ + "17a-Aza-D-homoandrost-5-en-3beta-ol" + ] + }, + { + "compound_id": "C14959", + "inchi": "InChI=1S/C25H26O2/c1-25-14-5-8-23(25)22-11-9-18-16-19(10-12-20(18)21(22)13-15-25)27-24(26)17-6-3-2-4-7-17/h2-7,10,12,14,16,21-23H,8-9,11,13,15H2,1H3/t21-,22-,23+,25+/m1/s1", + "name": "Estra-1,3,5(10),16-tetraen-3-ol benzoate", + "names": [ + "Estra-1,3,5(10),16-tetraen-3-ol benzoate" + ] + }, + { + "compound_id": "C14960", + "inchi": "InChI=1S/C19H32O2S2/c1-17-7-6-14-12(13(17)3-4-15(17)21)5-8-19(23)10-11(20)9-16(22)18(14,19)2/h11-16,20-23H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,16+,17+,18+,19-/m1/s1", + "name": "1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol", + "names": [ + "1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol" + ] + }, + { + "compound_id": "C14961", + "inchi": "InChI=1S/C20H32O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-17,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16+,17+,19+,20+/m1/s1", + "name": "3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one", + "names": [ + "3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one" + ] + }, + { + "compound_id": "C14962", + "inchi": "InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h7,10,14,16-18,23H,4-6,8-9,11-13H2,1-3H3/t14-,16+,17-,18-,19-,20-,21-/m0/s1", + "name": "17-Hydroxy-5alpha,17alpha-pregn-1-en-3-one", + "names": [ + "17-Hydroxy-5alpha,17alpha-pregn-1-en-3-one" + ] + }, + { + "compound_id": "C14963", + "inchi": "InChI=1S/C21H20O8/c1-11(22)28-13-8-6-12(7-9-13)15-10-14(23)16-17(24-2)19(25-3)21(27-5)20(26-4)18(16)29-15/h6-10H,1-5H3", + "name": "2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one", + "names": [ + "2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C14964", + "inchi": "InChI=1S/C22H32O3/c1-12-20(25)19-16(18-8-7-17(13(2)23)22(12,18)4)6-5-14-11-15(24)9-10-21(14,19)3/h11-12,16-20,25H,5-10H2,1-4H3/t12-,16-,17+,18-,19+,20+,21-,22+/m0/s1", + "name": "11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione", + "names": [ + "11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C14965", + "inchi": "InChI=1S/C14H11NO4S/c1-20(17,18)15-9-6-7-11-10-4-2-3-5-12(10)14(16)19-13(11)8-9/h2-8,15H,1H3", + "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide", + "names": [ + "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide" + ] + }, + { + "compound_id": "C14966", + "inchi": "InChI=1S/C23H39NO3/c1-22-9-7-17(27)15-16(22)3-4-18-19-5-6-21(24(11-13-25)12-14-26)23(19,2)10-8-20(18)22/h3,17-21,25-27H,4-15H2,1-2H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", + "name": "17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol", + "names": [ + "17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol" + ] + }, + { + "compound_id": "C14967", + "inchi": "InChI=1S/C14H9BrCl2/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17/h1-9H/b13-9-", + "name": "1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene", + "names": [ + "1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene" + ] + }, + { + "compound_id": "C14968", + "inchi": "InChI=1S/C26H34O/c1-17(27)22-10-11-23-21-9-8-20-16-19(18-6-4-5-7-18)12-14-25(20,2)24(21)13-15-26(22,23)3/h4-7,16,21-24H,8-15H2,1-3H3/t21-,22+,23-,24-,25-,26+/m0/s1", + "name": "3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one", + "names": [ + "3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one" + ] + }, + { + "compound_id": "C14969", + "inchi": "InChI=1S/C17H16O6/c1-21-14-8-13-15(17(22-2)16(14)20)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3", + "name": "2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", + "names": [ + "2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", + "4',6-Dihydroxy-5,7-dimethoxyflavanone" + ] + }, + { + "compound_id": "C14970", + "inchi": "InChI=1S/C20H34O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h12-18,21-23H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-,20-/m0/s1", + "name": "2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol", + "names": [ + "2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol" + ] + }, + { + "compound_id": "C14971", + "inchi": "InChI=1S/C15H8F3NO3/c16-15(17,18)14(21)19-8-5-6-10-9-3-1-2-4-11(9)13(20)22-12(10)7-8/h1-7H,(H,19,21)", + "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-2,2,2-trifluoroacetamide", + "names": [ + "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-2,2,2-trifluoroacetamide" + ] + }, + { + "compound_id": "C14972", + "inchi": "InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1", + "name": "3-Deoxyestrone", + "names": [ + "3-Deoxyestrone", + "Adopron", + "Estra-1,3,5(10)-trien-17-one" + ] + }, + { + "compound_id": "C14973", + "inchi": "InChI=1S/C22H32O3S/c1-4-19(25)26-17-12-13-11-14(23)7-9-21(13,2)16-8-10-22(3)15(20(16)17)5-6-18(22)24/h11,15-18,20,24H,4-10,12H2,1-3H3/t15-,16-,17+,18-,20-,21-,22-/m0/s1", + "name": "17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate", + "names": [ + "17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate", + "S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate" + ] + }, + { + "compound_id": "C14974", + "inchi": "InChI=1S/C22H30O4/c1-13(23)26-20-21(2)10-9-17-16-8-6-15(25-4)11-14(16)5-7-18(17)19(21)12-22(20,3)24/h6,8,11,17-20,24H,5,7,9-10,12H2,1-4H3/t17-,18-,19+,20-,21+,22+/m1/s1", + "name": "3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate", + "names": [ + "3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate" + ] + }, + { + "compound_id": "C14975", + "inchi": "InChI=1S/C19H32O2/c1-18-9-7-14(20)12-13(18)5-6-15-16(18)8-10-19(2)17(15)4-3-11-21-19/h13-17,20H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-/m0/s1", + "name": "D-Homo-17a-oxa-5alpha-androstan-3beta-ol", + "names": [ + "D-Homo-17a-oxa-5alpha-androstan-3beta-ol" + ] + }, + { + "compound_id": "C14976", + "inchi": "InChI=1S/C22H34O3/c1-21-10-8-16(24)12-15(21)6-7-17-18-5-3-4-14(9-11-23)22(18,2)13-19(25)20(17)21/h9,15-18,20,23-24H,3-8,10-13H2,1-2H3/b14-9+/t15-,16-,17+,18+,20-,21+,22-/m1/s1", + "name": "3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one", + "names": [ + "3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one" + ] + }, + { + "compound_id": "C14977", + "inchi": "InChI=1S/C21H36O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1", + "name": "2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol", + "names": [ + "2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol" + ] + }, + { + "compound_id": "C14978", + "inchi": "InChI=1S/C21H34O3/c1-20-9-8-17-15(16(20)6-7-19(20)23)5-4-14-10-18(22)13(12-24-3)11-21(14,17)2/h13-17,19,23H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-,21-/m0/s1", + "name": "17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one", + "names": [ + "17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one" + ] + }, + { + "compound_id": "C14979", + "inchi": "InChI=1S/C24H40O/c1-23-13-11-17(16-5-3-4-6-16)15-18(23)7-8-19-20-9-10-22(25)24(20,2)14-12-21(19)23/h16-22,25H,3-15H2,1-2H3/t17-,18-,19-,20-,21-,22-,23-,24-/m0/s1", + "name": "3beta-Cyclopentyl-5alpha-androstan-17beta-ol", + "names": [ + "3beta-Cyclopentyl-5alpha-androstan-17beta-ol" + ] + }, + { + "compound_id": "C14980", + "inchi": "InChI=1S/C20H30O3/c1-12-10-17-15-5-4-13-11-14(21)6-8-19(13,2)16(15)7-9-20(17,3)23-18(12)22/h12-13,15-17H,4-11H2,1-3H3/t12-,13-,15+,16-,17-,19-,20-/m0/s1", + "name": "16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione", + "names": [ + "16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione" + ] + }, + { + "compound_id": "C14981", + "inchi": "InChI=1S/C21H33FO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1", + "name": "3beta-Fluoro-5beta-pregnan-20-one", + "names": [ + "3beta-Fluoro-5beta-pregnan-20-one" + ] + }, + { + "compound_id": "C14982", + "inchi": "InChI=1S/C21H36O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,18-,19-,20+,21+/m1/s1", + "name": "6beta,17-Dimethyl-5alpha-androstane-3beta,17beta-diol", + "names": [ + "6beta,17-Dimethyl-5alpha-androstane-3beta,17beta-diol" + ] + }, + { + "compound_id": "C14983", + "inchi": "InChI=1S/C19H26O4/c1-18-7-5-11(20)9-15(18)16(21)10-12-13(18)6-8-19(2)14(12)3-4-17(22)23-19/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13+,14+,16-,18-,19+/m1/s1", + "name": "6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione", + "names": [ + "6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione" + ] + }, + { + "compound_id": "C14984", + "inchi": "InChI=1S/C21H30O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h13,15-18H,2-12H2,1H3/t13-,15+,16-,17-,18+,20+,21-/m1/s1", + "name": "17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone", + "names": [ + "17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone" + ] + }, + { + "compound_id": "C14985", + "inchi": "InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)17(20)18(16)23-3/h4-9,20H,1-3H3", + "name": "6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", + "names": [ + "6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", + "6-Hydroxy-4',5,7-trimethoxyflavone" + ] + }, + { + "compound_id": "C14986", + "inchi": "InChI=1S/C18H16O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-9,19H,1-3H3", + "name": "2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "names": [ + "2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "4'-Hydroxy-5,6,7-trimethoxyflavone" + ] + }, + { + "compound_id": "C14987", + "inchi": "InChI=1S/C16H30O4/c17-14-12-11-13(16(14)20)9-7-5-3-1-2-4-6-8-10-15(18)19/h13-14,16-17,20H,1-12H2,(H,18,19)", + "name": "2,3-Dihydroxycyclopentaneundecanoic acid", + "names": [ + "2,3-Dihydroxycyclopentaneundecanoic acid" + ] + }, + { + "compound_id": "C14988", + "inchi": "InChI=1S/C18H23NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1", + "name": "4-Nitroestra-1,3,5(10)-triene-3,17beta-diol", + "names": [ + "4-Nitroestra-1,3,5(10)-triene-3,17beta-diol", + "4-Nitroestradiol" + ] + }, + { + "compound_id": "C14990", + "inchi": "InChI=1S/C27H40O7/c1-16(28)33-19-14-23(2)18(5-6-20(23)25(4)29-9-10-30-25)17-13-21-27(34-21)15-26(31-11-12-32-26)8-7-24(27,3)22(17)19/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23-,24+,27-/m0/s1", + "name": "Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione", + "names": [ + "Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione" + ] + }, + { + "compound_id": "C14991", + "inchi": "InChI=1S/C24H38O3/c1-21(2)19-7-6-16-15(22(19,3)11-10-20(21)27)8-12-24(5)17(18(26)14-25)9-13-23(16,24)4/h17,19-20,25,27H,6-14H2,1-5H3/t17-,19+,20+,22-,23+,24-/m1/s1", + "name": "3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one", + "names": [ + "3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one" + ] + }, + { + "compound_id": "C14992", + "inchi": "InChI=1S/C21H26O4S/c1-12(22)25-14-8-9-20(3)13(10-14)4-5-16-15-6-7-17(23)19(15,2)11-18(24)21(16,20)26/h4,10,15-16,26H,5-9,11H2,1-3H3/t15-,16-,19-,20-,21-/m0/s1", + "name": "3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione", + "names": [ + "3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione" + ] + }, + { + "compound_id": "C14993", + "inchi": null, + "name": "Nonylphenol", + "names": [ + "Nonylphenol" + ] + }, + { + "compound_id": "C14994", + "inchi": "InChI=1S/C27H42O3/c1-4-5-6-7-8-9-15-27(29)18-24-23-12-10-19-17-20(30-3)11-13-21(19)22(23)14-16-26(24,2)25(27)28/h11,13,17,22-25,28-29H,4-10,12,14-16,18H2,1-3H3/t22-,23-,24+,25-,26+,27+/m1/s1", + "name": "3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol", + "names": [ + "3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol" + ] + }, + { + "compound_id": "C14995", + "inchi": "InChI=1S/C21H30O3/c1-4-21(23)12-18-17-7-5-13-11-14(24-3)6-8-15(13)16(17)9-10-20(18,2)19(21)22/h6,8,11,16-19,22-23H,4-5,7,9-10,12H2,1-3H3/t16-,17-,18+,19-,20+,21+/m1/s1", + "name": "3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol", + "names": [ + "3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol" + ] + }, + { + "compound_id": "C14996", + "inchi": "InChI=1S/C17H32O3/c1-14(18)10-8-6-4-2-3-5-7-9-11-15-12-13-16(19)17(15)20/h15-17,19-20H,2-13H2,1H3", + "name": "12-(2,3-Dihydroxycyclopentyl)-2-dodecanone", + "names": [ + "12-(2,3-Dihydroxycyclopentyl)-2-dodecanone" + ] + }, + { + "compound_id": "C14997", + "inchi": "InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)17(20)18(16)23-3/h4-7,9,13,20H,8H2,1-3H3", + "name": "2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", + "names": [ + "2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", + "6-Hydroxy-4',5,7-trimethoxyflavanone" + ] + }, + { + "compound_id": "C14998", + "inchi": "InChI=1S/C22H32N2O/c1-21-9-7-15(25)11-14(21)3-4-16-17-5-6-19(20-12-23-13-24-20)22(17,2)10-8-18(16)21/h3,12-13,15-19,25H,4-11H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,19+,21-,22-/m0/s1", + "name": "17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol", + "names": [ + "17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol" + ] + }, + { + "compound_id": "C14999", + "inchi": "InChI=1S/C20H26O3/c1-13(21)23-20-11-7-15(22)12-14(20)5-6-16-17-4-3-9-19(17,2)10-8-18(16)20/h7,11-12,16-18H,3-6,8-10H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1", + "name": "10-Hydroxyestra-1,4-dien-3-one acetate", + "names": [ + "10-Hydroxyestra-1,4-dien-3-one acetate" + ] + }, + { + "compound_id": "C15000", + "inchi": "InChI=1S/C25H30O3/c1-24-12-10-18(26)14-17(24)15-19-20-8-9-22(25(20,2)13-11-21(19)24)28-23(27)16-6-4-3-5-7-16/h3-7,14,19-22H,8-13,15H2,1-2H3/t19-,20-,21-,22-,24-,25-/m0/s1", + "name": "17beta-(Benzoyloxy)-B-norandrost-4-en-3-one", + "names": [ + "17beta-(Benzoyloxy)-B-norandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15001", + "inchi": "InChI=1S/C22H32O3/c1-14(24)25-17-6-9-22(3)16(11-17)4-5-18-19(22)7-8-21(2)12-15(13-23)10-20(18)21/h12-13,16-20H,4-11H2,1-3H3/t16-,17-,18+,19-,20-,21+,22-/m0/s1", + "name": "3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde", + "names": [ + "3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde" + ] + }, + { + "compound_id": "C15002", + "inchi": "InChI=1S/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16-,17+,18+,19+,20-,21+/m0/s1", + "name": "11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione", + "names": [ + "11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C15003", + "inchi": "InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h16-18,22H,3-12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1", + "name": "17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one", + "names": [ + "17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one" + ] + }, + { + "compound_id": "C15004", + "inchi": "InChI=1S/C19H27ClO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", + "name": "16beta-Chloro-17beta-hydroxyandrost-4-en-3-one", + "names": [ + "16beta-Chloro-17beta-hydroxyandrost-4-en-3-one", + "16beta-Chlorotestosterone" + ] + }, + { + "compound_id": "C15005", + "inchi": "InChI=1S/C18H25NO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9,19H2,1H3/t11-,12-,14+,16+,18+/m1/s1", + "name": "4-Aminoestra-1,3,5(10)-triene-3,17beta-diol", + "names": [ + "4-Aminoestra-1,3,5(10)-triene-3,17beta-diol" + ] + }, + { + "compound_id": "C15006", + "inchi": "InChI=1S/C18H25NO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7,19H2,1H3/t11-,12+,14-,17-,18-/m0/s1", + "name": "2-Aminoestra-1,3,5(10)-triene-3,17beta-diol", + "names": [ + "2-Aminoestra-1,3,5(10)-triene-3,17beta-diol", + "2-Aminoestradiol" + ] + }, + { + "compound_id": "C15007", + "inchi": "InChI=1S/C18H23NO4/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19(22)23)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1", + "name": "2-Nitroestra-1,3,5(10)-triene-3,17beta-diol", + "names": [ + "2-Nitroestra-1,3,5(10)-triene-3,17beta-diol", + "2-Nitroestradiol" + ] + }, + { + "compound_id": "C15008", + "inchi": "InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3", + "name": "1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol", + "names": [ + "1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol" + ] + }, + { + "compound_id": "C15009", + "inchi": "InChI=1S/C22H30O4/c1-4-19(25)26-18-8-7-16-15-6-5-13-11-14(23)9-10-21(13,2)20(15)17(24)12-22(16,18)3/h11,15-16,18,20H,4-10,12H2,1-3H3/t15-,16-,18-,20+,21-,22-/m0/s1", + "name": "17beta-Hydroxyandrost-4-ene-3,11-dione propionate", + "names": [ + "17beta-Hydroxyandrost-4-ene-3,11-dione propionate" + ] + }, + { + "compound_id": "C15010", + "inchi": "InChI=1S/C19H25ClO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-16H,3-8,10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1", + "name": "16beta-Chloroandrost-4-ene-3,17-dione", + "names": [ + "16beta-Chloroandrost-4-ene-3,17-dione" + ] + }, + { + "compound_id": "C15011", + "inchi": "InChI=1S/C21H32O3/c1-12-9-14-15-6-8-21(4,24)20(15,3)11-17(23)18(14)19(2)7-5-13(22)10-16(12)19/h10,12,14-15,17-18,23-24H,5-9,11H2,1-4H3/t12-,14-,15-,17-,18+,19-,20-,21-/m0/s1", + "name": "11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one", + "names": [ + "11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15012", + "inchi": "InChI=1S/C21H32O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h12,14-17,23H,5-11H2,1-4H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1", + "name": "17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one", + "names": [ + "17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one" + ] + }, + { + "compound_id": "C15013", + "inchi": "InChI=1S/C25H39NO2/c1-16(27)20-8-9-21-19-7-6-17-14-18(26-12-4-5-13-26)10-11-24(17,2)23(19)22(28)15-25(20,21)3/h17-21,23H,4-15H2,1-3H3/t17-,18-,19-,20+,21-,23+,24-,25+/m0/s1", + "name": "3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione", + "names": [ + "3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione" + ] + }, + { + "compound_id": "C15014", + "inchi": "InChI=1S/C21H25NO3/c1-3-10-25-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23/h3,5,7,11,16-18,24H,1,4,6,8-10,12H2,2H3/b22-19+/t16-,17-,18+,21+/m1/s1", + "name": "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime", + "names": [ + "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime" + ] + }, + { + "compound_id": "C15015", + "inchi": "InChI=1S/C21H30O4/c1-20-8-7-15-13(14(20)5-6-16(20)19(25)11-22)4-3-12-9-17(23)18(24)10-21(12,15)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,18-,20-,21-/m0/s1", + "name": "2beta,21-Dihydroxypregn-4-ene-3,20-dione", + "names": [ + "2beta,21-Dihydroxypregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C15016", + "inchi": "InChI=1S/C20H28O/c1-3-14-5-9-19-18-7-4-13-12-15(21)6-8-16(13)17(18)10-11-20(14,19)2/h3,12,16-19H,4-11H2,1-2H3/b14-3+/t16-,17+,18+,19-,20+/m0/s1", + "name": "19-Norpregna-4,17(20)-dien-3-one", + "names": [ + "19-Norpregna-4,17(20)-dien-3-one" + ] + }, + { + "compound_id": "C15017", + "inchi": "InChI=1S/C20H30O2/c1-19-10-9-17-15(16(19)7-8-18(19)22)6-5-14-4-3-13(12-21)11-20(14,17)2/h3,12,14-18,22H,4-11H2,1-2H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde", + "names": [ + "17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde" + ] + }, + { + "compound_id": "C15018", + "inchi": "InChI=1S/C18H21NO4/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19(22)23)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1", + "name": "3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one", + "names": [ + "2-Nitroestrone", + "3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one" + ] + }, + { + "compound_id": "C15019", + "inchi": "InChI=1S/C18H18O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-7,9,13,19H,8H2,1-3H3", + "name": "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "names": [ + "2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "4'-Hydroxy-5,6,7-trimethoxyflavanone" + ] + }, + { + "compound_id": "C15020", + "inchi": "InChI=1S/C19H26O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11-12,16-18,20H,3-4,6,8-10H2,1-2H3/t12-,16+,17+,18-,19+/m0/s1", + "name": "17beta-Methylestra-1,3,5(10)-trien-3-ol", + "names": [ + "17beta-Methylestra-1,3,5(10)-trien-3-ol" + ] + }, + { + "compound_id": "C15021", + "inchi": "InChI=1S/C30H30N2/c1-31(2)27-19-15-25(16-20-27)30(26-17-21-28(22-18-26)32(3)4)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-22H,1-4H3", + "name": "4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]", + "names": [ + "4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]" + ] + }, + { + "compound_id": "C15022", + "inchi": "InChI=1S/C21H32O3/c1-12-10-19(2)13(9-16(12)22)5-6-14-15-7-8-21(4,24)20(15,3)11-17(23)18(14)19/h9,12,14-15,17-18,23-24H,5-8,10-11H2,1-4H3/t12-,14+,15+,17-,18-,19+,20+,21+/m1/s1", + "name": "11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one", + "names": [ + "11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15023", + "inchi": "InChI=1S/C21H29ClO3/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1", + "name": "19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate", + "names": [ + "19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate" + ] + }, + { + "compound_id": "C15024", + "inchi": "InChI=1S/C19H27ClO2/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1", + "name": "19-Chloro-17beta-hydroxyandrost-4-en-3-one", + "names": [ + "19-Chloro-17beta-hydroxyandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15025", + "inchi": "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1", + "name": "(S)-Carnitine", + "names": [ + "(S)-Carnitine", + "D-Carnitine" + ] + }, + { + "compound_id": "C15026", + "inchi": "InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1", + "name": "L-365260", + "names": [ + "L-365260", + "N-[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea" + ] + }, + { + "compound_id": "C15027", + "inchi": "InChI=1S/C27H26O5/c1-17(28)31-22-14-15-23-24(16-22)32-27(2,3)26(19-8-12-21(30-5)13-9-19)25(23)18-6-10-20(29-4)11-7-18/h6-16H,1-5H3", + "name": "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate", + "names": [ + "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate" + ] + }, + { + "compound_id": "C15028", + "inchi": "InChI=1S/C21H21NO/c1-2-21(23,18-13-7-4-8-14-18)20(17-11-5-3-6-12-17)19-15-9-10-16-22-19/h3-16,20,23H,2H2,1H3", + "name": "alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol", + "names": [ + "alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol" + ] + }, + { + "compound_id": "C15029", + "inchi": "InChI=1S/C22H26O3/c1-13(23)19-7-8-20-17-12-21(25-4)18-11-14(24-3)5-6-15(18)16(17)9-10-22(19,20)2/h5-6,11-12,19-20H,7-10H2,1-4H3/t19-,20+,22-/m1/s1", + "name": "3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one", + "names": [ + "3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one" + ] + }, + { + "compound_id": "C15030", + "inchi": "InChI=1S/C22H26O4/c1-22-10-9-15-14-6-5-13(24-2)11-17(14)20(25-3)12-16(15)18(22)7-8-19(22)21(23)26-4/h5-6,11-12,18-19H,7-10H2,1-4H3/t18-,19+,22-/m0/s1", + "name": "3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester", + "names": [ + "3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester" + ] + }, + { + "compound_id": "C15031", + "inchi": "InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H", + "name": "2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one", + "names": [ + "2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one", + "5,6,7,8,4'-Pentahydroxyflavone", + "Nortangeretin" + ] + }, + { + "compound_id": "C15032", + "inchi": "InChI=1S/C14H19NO3/c1-17-13-4-2-12(3-5-13)14(16)6-7-15-8-10-18-11-9-15/h2-5H,6-11H2,1H3", + "name": "1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone", + "names": [ + "1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone", + "4'-Methoxy-3-morpholino-propiophenone" + ] + }, + { + "compound_id": "C15033", + "inchi": "InChI=1S/C21H30N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h10,12,15-17,24H,4-9,11H2,1-3H3,(H,22,23)/t15-,16+,17+,19+,20+,21+/m1/s1", + "name": "Hydroxystenozole", + "names": [ + "17alpha-Methyl-2'H-androsta-2,4-dieno[3,2-c]pyrazol-17beta-ol", + "Hydroxystenozole" + ] + }, + { + "compound_id": "C15034", + "inchi": "InChI=1S/C21H30O5/c1-20-6-5-12(23)7-11(20)3-4-13-14-8-15(24)19(17(26)10-22)21(14,2)9-16(25)18(13)20/h7,13-16,18-19,22,24-25H,3-6,8-10H2,1-2H3/t13-,14-,15+,16-,18+,19+,20-,21-/m0/s1", + "name": "16alpha-Hydroxycorticosterone", + "names": [ + "11beta,16alpha,21-Trihydroxypregn-4-ene-3,20-dione", + "16alpha-Hydroxycorticosterone" + ] + }, + { + "compound_id": "C15035", + "inchi": "InChI=1S/C20H32O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h12-16,18,21,23H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1", + "name": "17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one", + "names": [ + "17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one" + ] + }, + { + "compound_id": "C15036", + "inchi": "InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,19+,20+/m1/s1", + "name": "2alpha-Methyl-5alpha-androstane-3,17-dione", + "names": [ + "2alpha-Methyl-5alpha-androstane-3,17-dione" + ] + }, + { + "compound_id": "C15037", + "inchi": "InChI=1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,27,30-31H,14-15H2", + "name": "Oplophorus luciferin", + "names": [ + "8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-[1,2a]pyrazin-3(7H)-one", + "Coelenterazine", + "Oplophorus luciferin" + ] + }, + { + "compound_id": "C15038", + "inchi": "InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)", + "name": "Oxidized Oplophorus luciferin", + "names": [ + "Coelenteramide", + "Oxidized Oplophorus luciferin" + ] + }, + { + "compound_id": "C15039", + "inchi": "InChI=1S/C16H14N2O/c1-19-16-7-5-13(6-8-16)14(11-17)9-12-3-2-4-15(18)10-12/h2-10H,18H2,1H3/b14-9+", + "name": "3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile", + "names": [ + "3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile" + ] + }, + { + "compound_id": "C15040", + "inchi": "InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3", + "name": "GYKI 52466", + "names": [ + "4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine", + "GYKI 52466" + ] + }, + { + "compound_id": "C15041", + "inchi": "InChI=1S/C20H32O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h4,13-17,21-23H,5-11H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-/m0/s1", + "name": "17-Methylandrost-5-ene-3beta,11beta,17beta-triol", + "names": [ + "17-Methylandrost-5-ene-3beta,11beta,17beta-triol" + ] + }, + { + "compound_id": "C15042", + "inchi": "InChI=1S/C12H10N2O/c15-12-5-2-10(3-6-12)1-4-11-9-13-7-8-14-11/h1-9,15H/b4-1+", + "name": "4-(2-Pyrazinylethenyl)phenol", + "names": [ + "4-(2-Pyrazinylethenyl)phenol" + ] + }, + { + "compound_id": "C15043", + "inchi": "InChI=1S/C15H15NO/c1-2-12(13-7-9-16-10-8-13)11-14-5-3-4-6-15(14)17/h3-11,17H,2H2,1H3/b12-11+", + "name": "2-[2-(4-Pyridinyl)-1-butenyl]phenol", + "names": [ + "2-[2-(4-Pyridinyl)-1-butenyl]phenol" + ] + }, + { + "compound_id": "C15044", + "inchi": "InChI=1S/C17H19NO2/c1-4-13(14-8-10-18-11-9-14)12-15-6-5-7-16(19-2)17(15)20-3/h5-12H,4H2,1-3H3/b13-12+", + "name": "2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol", + "names": [ + "2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol", + "4-[1-[(2,3-Dimethoxyphenyl)methylene]propyl]pyridine" + ] + }, + { + "compound_id": "C15045", + "inchi": "InChI=1S/C15H14ClN/c1-2-13(14-7-9-17-10-8-14)11-12-3-5-15(16)6-4-12/h3-11H,2H2,1H3/b13-11+", + "name": "4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol", + "names": [ + "4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol", + "4-[1-[(4-Chlorophenyl)methylene]propyl]pyridine" + ] + }, + { + "compound_id": "C15046", + "inchi": "InChI=1S/C25H34O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h6,8,19-20,22-23H,1,7,9-14H2,2-5H3/t19-,20-,22-,23-,24-,25+/m0/s1", + "name": "Pregna-5,16,20-triene-3beta,20-diol diacetate", + "names": [ + "Pregna-5,16,20-triene-3beta,20-diol diacetate" + ] + }, + { + "compound_id": "C15047", + "inchi": "InChI=1S/C21H36O2/c1-18-11-6-5-7-14(18)8-9-15-16-10-12-21(4,23)19(16,2)13-20(3,22)17(15)18/h14-17,22-23H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,19+,20+,21+/m1/s1", + "name": "11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol", + "names": [ + "11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol" + ] + }, + { + "compound_id": "C15048", + "inchi": "InChI=1S/C16H11NO4/c1-10(18)20-13-5-4-11-7-14(12-3-2-6-17-9-12)16(19)21-15(11)8-13/h2-9H,1H3", + "name": "7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one", + "names": [ + "7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one" + ] + }, + { + "compound_id": "C15049", + "inchi": "InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3", + "name": "(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone", + "names": [ + "(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone", + "2-Butyl-3-(4-hydroxybenzoyl)benzofuran" + ] + }, + { + "compound_id": "C15050", + "inchi": "InChI=1S/C23H24O5/c1-6-19-20-12-11-18(27-15(3)25)13-21(20)28-23(4,5)22(19)16-7-9-17(10-8-16)26-14(2)24/h7-13H,6H2,1-5H3", + "name": "2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate", + "names": [ + "2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate", + "4-Ethyl-3-(p-hydroxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-ol diacetate" + ] + }, + { + "compound_id": "C15051", + "inchi": "InChI=1S/C19H18O4/c1-3-4-16-15-10-7-13(20)11-17(15)23-19(21)18(16)12-5-8-14(22-2)9-6-12/h5-11,20H,3-4H2,1-2H3", + "name": "7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one", + "names": [ + "7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one", + "7-Hydroxy-3-(4-methoxyphenyl)-4-propylcoumarin" + ] + }, + { + "compound_id": "C15052", + "inchi": "InChI=1S/C17H14O4/c1-10-14-8-5-12(18)9-15(14)21-17(19)16(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3", + "name": "7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin", + "names": [ + "7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one", + "7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin" + ] + }, + { + "compound_id": "C15053", + "inchi": "InChI=1S/C23H26O4/c1-6-7-20-19-13-12-18(26-15(2)24)14-21(19)27-23(3,4)22(20)16-8-10-17(25-5)11-9-16/h8-14H,6-7H2,1-5H3", + "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate", + "names": [ + "2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate" + ] + }, + { + "compound_id": "C15054", + "inchi": "InChI=1S/C20H22O3/c1-5-16-17-11-8-14(21)12-18(17)23-20(2,3)19(16)13-6-9-15(22-4)10-7-13/h6-12,21H,5H2,1-4H3", + "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol", + "names": [ + "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol" + ] + }, + { + "compound_id": "C15055", + "inchi": "InChI=1S/C22H24O4/c1-6-18-19-12-11-17(25-14(2)23)13-20(19)26-22(3,4)21(18)15-7-9-16(24-5)10-8-15/h7-13H,6H2,1-5H3", + "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate", + "names": [ + "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate" + ] + }, + { + "compound_id": "C15056", + "inchi": "InChI=1S/C20H19FO3/c1-12-17-10-9-16(23-13(2)22)11-18(17)24-20(3,4)19(12)14-5-7-15(21)8-6-14/h5-11H,1-4H3", + "name": "2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate", + "names": [ + "2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate" + ] + }, + { + "compound_id": "C15057", + "inchi": "InChI=1S/C24H36O3/c1-5-22(25)27-21-10-9-19-18-8-7-16-15-17(26-6-2)11-13-23(16,3)20(18)12-14-24(19,21)4/h7,15,18-21H,5-6,8-14H2,1-4H3/t18-,19-,20-,21-,23-,24-/m0/s1", + "name": "3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate", + "names": [ + "3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate" + ] + }, + { + "compound_id": "C15058", + "inchi": "InChI=1S/C20H34O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-18,21-22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17-,18+,19+,20+/m1/s1", + "name": "2alpha-Methyl-5alpha-androstane-3beta,17beta-diol", + "names": [ + "2alpha-Methyl-5alpha-androstane-3beta,17beta-diol" + ] + }, + { + "compound_id": "C15059", + "inchi": "InChI=1S/C21H22O4/c1-13-18-11-10-17(24-14(2)22)12-19(18)25-21(3,4)20(13)15-6-8-16(23-5)9-7-15/h6-12H,1-5H3", + "name": "2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate", + "names": [ + "2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate" + ] + }, + { + "compound_id": "C15060", + "inchi": "InChI=1S/C20H22O3/c1-13-17-11-10-16(22-5)12-18(17)23-20(2,3)19(13)14-6-8-15(21-4)9-7-14/h6-12H,1-5H3", + "name": "7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran", + "names": [ + "7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran" + ] + }, + { + "compound_id": "C15061", + "inchi": "InChI=1S/C27H34O4/c1-6-8-16-27(17-9-7-2)26(21-10-12-22(29-5)13-11-21)19(3)24-15-14-23(30-20(4)28)18-25(24)31-27/h10-15,18H,6-9,16-17H2,1-5H3", + "name": "2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate", + "names": [ + "2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate" + ] + }, + { + "compound_id": "C15062", + "inchi": "InChI=1S/C20H25NO2/c1-19-9-7-16-15-6-4-14(23-2)11-13(15)3-5-17(16)18(19)8-10-20(19,22)12-21/h4,6,11,16-18,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20-/m1/s1", + "name": "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile", + "names": [ + "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile" + ] + }, + { + "compound_id": "C15063", + "inchi": "InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h4,7,9,12,19,21H,3,5-6,8,10-11H2,1-2H3/t19-,20-/m0/s1", + "name": "3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol", + "names": [ + "3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol" + ] + }, + { + "compound_id": "C15064", + "inchi": "InChI=1S/C22H32O3/c1-14(23)25-13-16-5-7-19-18-6-4-15-12-17(24)8-10-21(15,2)20(18)9-11-22(16,19)3/h12,16,18-20H,4-11,13H2,1-3H3/t16-,18+,19+,20+,21+,22-/m1/s1", + "name": "17beta-(Hydroxymethyl)androst-4-en-3-one acetate", + "names": [ + "17beta-(Hydroxymethyl)androst-4-en-3-one acetate" + ] + }, + { + "compound_id": "C15065", + "inchi": "InChI=1S/C20H27FO3/c1-11(22)14-6-7-15-16-5-4-12-8-13(23)9-19(12,3)20(16,21)17(24)10-18(14,15)2/h8,14-17,24H,4-7,9-10H2,1-3H3/t14-,15+,16+,17+,18-,19+,20+/m1/s1", + "name": "9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione", + "names": [ + "9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione" + ] + }, + { + "compound_id": "C15066", + "inchi": "InChI=1S/C24H24O2/c1-5-17-25-21-13-9-19(10-14-21)23(7-3)24(8-4)20-11-15-22(16-12-20)26-18-6-2/h1-2,9-16H,7-8,17-18H2,3-4H3/b24-23+", + "name": "alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene", + "names": [ + "alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene" + ] + }, + { + "compound_id": "C15067", + "inchi": "InChI=1S/C26H30ClNO2/c1-3-28(4-2)18-19-30-25-16-12-23(13-17-25)26(29,22-8-6-5-7-9-22)20-21-10-14-24(27)15-11-21/h5-17,29H,3-4,18-20H2,1-2H3", + "name": "4-Chloro-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol", + "names": [ + "4-Chloro-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol" + ] + }, + { + "compound_id": "C15068", + "inchi": "InChI=1S/C20H28O4/c1-12(21)23-16-7-5-14-13-4-6-17-20(3,11-9-18(22)24-17)15(13)8-10-19(14,16)2/h9,11,13-17H,4-8,10H2,1-3H3/t13-,14-,15-,16-,17+,19-,20+/m0/s1", + "name": "17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate", + "names": [ + "17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate" + ] + }, + { + "compound_id": "C15069", + "inchi": "InChI=1S/C16H18O2/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,16-18H,2-3H2,1H3", + "name": "4,4'-(Butane-1,1-diyl)diphenol", + "names": [ + "1,1-Bis(4-hydroxyphenyl)butane", + "4,4'-(Butane-1,1-diyl)diphenol" + ] + }, + { + "compound_id": "C15070", + "inchi": "InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16(18(12)13)6-8-19(2)17(15)7-9-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t12?,15-,16+,17+,19+,20+/m1/s1", + "name": "17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one", + "names": [ + "17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one" + ] + }, + { + "compound_id": "C15071", + "inchi": "InChI=1S/C21H31FO3/c1-12(23)15-4-5-16-14-10-18(22)21(25)11-13(24)6-9-20(21,3)17(14)7-8-19(15,16)2/h14-18,25H,4-11H2,1-3H3/t14-,15+,16-,17-,18+,19+,20+,21-/m0/s1", + "name": "6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione", + "names": [ + "6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione" + ] + }, + { + "compound_id": "C15072", + "inchi": "InChI=1S/C19H26O3/c1-18-6-5-14-12(13(18)2-3-17(18)21)9-16-15-8-11(20)4-7-19(14,15)10-22-16/h8,12-14,16-17,21H,2-7,9-10H2,1H3/t12-,13-,14-,16+,17-,18-,19-/m0/s1", + "name": "6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one", + "names": [ + "6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15073", + "inchi": "InChI=1S/C20H23ClO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5,12,16-18,22-23H,2,4,6-9H2,1H3/t16-,17-,18+,19+,20-/m1/s1", + "name": "17alpha-Chloroethynylestradiol", + "names": [ + "17alpha-Chloroethynylestradiol", + "21-Chloro-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol" + ] + }, + { + "compound_id": "C15074", + "inchi": "InChI=1S/C19H27FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17-,18+,19+/m1/s1", + "name": "16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one", + "names": [ + "16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15075", + "inchi": "InChI=1S/C9H9FO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2", + "name": "3-Fluoro-1-(4-hydroxyphenyl)-1-propanone", + "names": [ + "3-Fluoro-1-(4-hydroxyphenyl)-1-propanone" + ] + }, + { + "compound_id": "C15076", + "inchi": "InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)13-10-25-14-9-15(22-2)18(23-3)19(24-4)16(14)17(13)20/h5-10H,1-4H3", + "name": "3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "names": [ + "3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "5,6,7,4'-Tetramethoxyisoflavone" + ] + }, + { + "compound_id": "C15077", + "inchi": "InChI=1S/C15H12O3S/c16-15(13-7-3-1-4-8-13)11-12-19(17,18)14-9-5-2-6-10-14/h1-12H/b12-11+", + "name": "1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one", + "names": [ + "1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one", + "3-(Phenylsulfonyl)acrylophenone" + ] + }, + { + "compound_id": "C15078", + "inchi": "InChI=1S/C19H23NO3/c1-19-8-7-14-13-6-4-12(23-2)9-11(13)3-5-15(14)16(19)10-17(20-22)18(19)21/h4,6,9,14-16,22H,3,5,7-8,10H2,1-2H3/b20-17+/t14-,15-,16+,19+/m1/s1", + "name": "3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime", + "names": [ + "3-Methoxyestra-1,3,5(10)-trien-16-oximino-17-one", + "3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime" + ] + }, + { + "compound_id": "C15079", + "inchi": "InChI=1S/C21H27FO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h6,10,16-18,25H,4-5,7-9,11H2,1-3H3/t16-,17-,18-,19+,20-,21-/m0/s1", + "name": "9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione", + "names": [ + "9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione" + ] + }, + { + "compound_id": "C15080", + "inchi": "InChI=1S/C26H26O7/c1-29-23-21(22(28)24(30-2)26(32-4)25(23)31-3)20(27)15-12-17-10-13-19(14-11-17)33-16-18-8-6-5-7-9-18/h5-15,28H,16H2,1-4H3/b15-12+", + "name": "4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone", + "names": [ + "4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone" + ] + }, + { + "compound_id": "C15081", + "inchi": "InChI=1S/C17H23NO3/c1-3-21-17(19)13-4-7-16-15-6-5-14(20-2)10-12(15)8-9-18(16)11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3/t13-,16-/m0/s1", + "name": "trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester", + "names": [ + "trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester" + ] + }, + { + "compound_id": "C15082", + "inchi": "InChI=1S/C18H22O/c1-3-17(14-8-6-5-7-9-14)18(4-2)15-10-12-16(19)13-11-15/h5-13,17-19H,3-4H2,1-2H3", + "name": "4-(1-Ethyl-2-phenylbutyl)phenol", + "names": [ + "4-(1-Ethyl-2-phenylbutyl)phenol" + ] + }, + { + "compound_id": "C15083", + "inchi": "InChI=1S/C14H10Cl2/c1-10(11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)16/h2-9H,1H2", + "name": "1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene", + "names": [ + "1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene" + ] + }, + { + "compound_id": "C15084", + "inchi": "InChI=1S/C20H14N2/c21-15-18(16-9-3-1-4-10-16)20(17-11-5-2-6-12-17)19-13-7-8-14-22-19/h1-14H/b20-18-", + "name": "2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile", + "names": [ + "2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile" + ] + }, + { + "compound_id": "C15085", + "inchi": "InChI=1S/C19H26O/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(20)9-10-19(13,18)2/h11,16-18H,3-10H2,1-2H3/t16-,17+,18+,19+/m1/s1", + "name": "17-Methyl-18-norandrosta-4,13(17)-dien-3-one", + "names": [ + "17-Methyl-18-norandrosta-4,13(17)-dien-3-one" + ] + }, + { + "compound_id": "C15086", + "inchi": "InChI=1S/C21H24N2O3/c1-3-10-26-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22-24)20(21)23-25/h3,5-7,11,16,18,24-25H,1,4,8-10,12H2,2H3/b22-19+,23-20+/t16-,18+,21+/m1/s1", + "name": "3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime", + "names": [ + "3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime" + ] + }, + { + "compound_id": "C15087", + "inchi": "InChI=1S/C18H19NO3/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19-22)17(18)21/h3-5,8,13,15,20,22H,2,6-7,9H2,1H3/b19-16+/t13-,15+,18+/m1/s1", + "name": "3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime", + "names": [ + "3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime" + ] + }, + { + "compound_id": "C15088", + "inchi": "InChI=1S/C22H31FO3/c1-4-19(25)26-18-8-7-14-13-5-6-16-20(23)17(24)10-12-21(16,2)15(13)9-11-22(14,18)3/h13-15,18H,4-12H2,1-3H3/t13-,14-,15-,18-,21+,22-/m0/s1", + "name": "4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "names": [ + "4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "4-Fluorotestosterone propionate" + ] + }, + { + "compound_id": "C15089", + "inchi": "InChI=1S/C15H15NO4/c1-20-13-4-2-3-11(9-13)7-8-16-10-12(15(18)19)5-6-14(16)17/h2-6,9-10H,7-8H2,1H3,(H,18,19)", + "name": "1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid", + "names": [ + "1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid" + ] + }, + { + "compound_id": "C15090", + "inchi": "InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h5,9,13,16-18H,3-4,6-8,10-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1", + "name": "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone", + "names": [ + "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone" + ] + }, + { + "compound_id": "C15091", + "inchi": "InChI=1S/C21H29FO3/c1-12-9-16-14-6-8-20(4,25)19(14,3)11-17(24)21(16,22)18(2)7-5-13(23)10-15(12)18/h10,12,14,16,25H,5-9,11H2,1-4H3/t12-,14-,16-,18-,19-,20-,21-/m0/s1", + "name": "9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione", + "names": [ + "9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione" + ] + }, + { + "compound_id": "C15092", + "inchi": "InChI=1S/C20H27FO3/c1-11-8-15-14-5-4-12-9-13(22)6-7-19(12,3)20(14,21)16(23)10-18(15,2)17(11)24/h6-7,9,11,14-17,23-24H,4-5,8,10H2,1-3H3/t11-,14+,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one", + "names": [ + "9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-one" + ] + }, + { + "compound_id": "C15093", + "inchi": "InChI=1S/C19H29FO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "3beta-Fluoroandrost-5-en-17beta-ol", + "names": [ + "3beta-Fluoroandrost-5-en-17beta-ol" + ] + }, + { + "compound_id": "C15094", + "inchi": "InChI=1S/C17H17N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8,10,19H,6,9,18H2,1H3", + "name": "GYKI 52895", + "names": [ + "4-(8,9-Dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine", + "GYKI 52895" + ] + }, + { + "compound_id": "C15095", + "inchi": "InChI=1S/C19H12O7/c1-9(20)23-11-3-5-13-15(7-11)25-18-14-6-4-12(24-10(2)21)8-16(14)26-19(22)17(13)18/h3-8H,1-2H3", + "name": "Coumestrol diacetate", + "names": [ + "3,9-Diacetoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one", + "Coumestrol diacetate" + ] + }, + { + "compound_id": "C15096", + "inchi": "InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22?,23?,24?,29-,33?/m1/s1", + "name": "GV 150013X", + "names": [ + "GV 150013X", + "N-Phenyl-N'-[(3R)-2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]urea" + ] + }, + { + "compound_id": "C15097", + "inchi": "InChI=1S/C19H30O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h2,13-17,20-22H,3-11H2,1H3/t13-,14-,15-,16-,17-,18-,19+/m0/s1", + "name": "Androst-5-ene-3beta,17beta,19-triol", + "names": [ + "Androst-5-ene-3beta,17beta,19-triol" + ] + }, + { + "compound_id": "C15098", + "inchi": "InChI=1S/C21H29FO3/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1", + "name": "21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione", + "names": [ + "21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione", + "21-Fluoro-11beta-hydroxyprogesterone" + ] + }, + { + "compound_id": "C15099", + "inchi": "InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1", + "name": "17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one", + "names": [ + "17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one", + "2alpha,17alpha-Dimethyldihydrotestosterone" + ] + }, + { + "compound_id": "C15100", + "inchi": "InChI=1S/C17H14O6/c1-21-14-8-13-15(17(22-2)16(14)20)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3", + "name": "6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one", + "names": [ + "4',6-Dihydroxy-5,7-dimethoxyflavone", + "6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C15101", + "inchi": "InChI=1S/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1", + "name": "17-Methyl-5-alpha-androst-2-en-17-beta-ol", + "names": [ + "17-Methyl-5-alpha-androst-2-en-17-beta-ol" + ] + }, + { + "compound_id": "C15102", + "inchi": "InChI=1S/C11H10O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-4,9H,5-6H2,(H,13,14)", + "name": "1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid", + "names": [ + "1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid" + ] + }, + { + "compound_id": "C15103", + "inchi": "InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-17,21-22H,3-6,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1", + "name": "11alpha,17beta-Dihydroxy-1,4-androstadien-3-one", + "names": [ + "11alpha,17beta-Dihydroxy-1,4-androstadien-3-one" + ] + }, + { + "compound_id": "C15104", + "inchi": "InChI=1S/C27H24ClN3O2/c1-17(2)33-21-7-5-6-20(15-21)31-26(30-25-9-4-3-8-22(25)27(31)32)13-10-18-16-29-24-12-11-19(28)14-23(18)24/h3-9,11-12,14-17,29H,10,13H2,1-2H3", + "name": "LY-202769", + "names": [ + "2-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-4(3H)-quinazolinone", + "LY-202769" + ] + }, + { + "compound_id": "C15105", + "inchi": "InChI=1S/C19H23FO4/c1-17-9-15(23)19(20)12(13(17)8-14(22)16(17)24)4-3-10-7-11(21)5-6-18(10,19)2/h7,12-14,22H,3-6,8-9H2,1-2H3/t12-,13-,14+,17-,18-,19-/m0/s1", + "name": "9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione", + "names": [ + "9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione" + ] + }, + { + "compound_id": "C15106", + "inchi": "InChI=1S/C22H34N2O2/c1-14(13-23-25)18-6-7-19-17-5-4-15-12-16(24-26)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20,25-26H,4-11H2,1-3H3/b23-13+,24-16+/t14-,17-,18+,19-,20-,21-,22+/m0/s1", + "name": "3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime", + "names": [ + "3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime" + ] + }, + { + "compound_id": "C15107", + "inchi": "InChI=1S/C19H24O/c1-19-10-3-4-18(19)17-7-5-13-12-14(20-2)6-8-15(13)16(17)9-11-19/h3,6,8,10,12,16-18H,4-5,7,9,11H2,1-2H3/t16-,17-,18+,19+/m1/s1", + "name": "3-Methoxyestra-1,3,5(10),16-tetraene", + "names": [ + "3-Methoxyestra-1,3,5(10),16-tetraene" + ] + }, + { + "compound_id": "C15108", + "inchi": "InChI=1S/C21H32O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h12-13,15-17,23H,5-11H2,1-4H3/t13-,15+,16-,17-,19+,20-,21-/m0/s1", + "name": "17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one", + "names": [ + "17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one", + "6alpha,17alpha-Dimethyltestosterone" + ] + }, + { + "compound_id": "C15109", + "inchi": "InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3", + "name": "Gardenin B", + "names": [ + "5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one", + "5-Hydroxy-4',6,7,8-tetramethoxyflavone", + "Demethyltangeretin", + "Gardenin B" + ] + }, + { + "compound_id": "C15110", + "inchi": "InChI=1S/C16H12O4/c1-9(17)15-13-7-6-12(19)8-14(13)20-16(15)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3", + "name": "1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone", + "names": [ + "1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone", + "6-Hydroxy-2-(4-hydroxyphenyl)-3-benzofuranyl methyl ketone" + ] + }, + { + "compound_id": "C15111", + "inchi": "InChI=1S/C16H12O3/c1-10(17)15-13-4-2-3-5-14(13)19-16(15)11-6-8-12(18)9-7-11/h2-9,18H,1H3", + "name": "1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone", + "names": [ + "1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone", + "2-(4-Hydroxyphenyl)-3-benzofuranyl methyl ketone" + ] + }, + { + "compound_id": "C15112", + "inchi": "InChI=1S/C22H30F2O3/c1-4-19(26)27-18-8-6-14-13-5-7-16-20(2,12-10-17(25)22(16,23)24)15(13)9-11-21(14,18)3/h7,13-15,18H,4-6,8-12H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1", + "name": "4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate", + "names": [ + "4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate" + ] + }, + { + "compound_id": "C15113", + "inchi": "InChI=1S/C21H31FO3/c1-12-10-18(2)13(9-16(12)23)5-6-15-14-7-8-20(4,25)19(14,3)11-17(24)21(15,18)22/h9,12,14-15,17,24-25H,5-8,10-11H2,1-4H3/t12?,14-,15-,17-,18-,19-,20-,21-/m0/s1", + "name": "9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one", + "names": [ + "9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15114", + "inchi": "InChI=1S/C20H26O2/c1-20-10-9-16-14-4-5-15(22-2)12-13(11-14)3-6-17(16)18(20)7-8-19(20)21/h4-5,12,16-18H,3,6-11H2,1-2H3/t16-,17-,18+,20+/m1/s1", + "name": "3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one", + "names": [ + "3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one", + "3-Methoxy-5,19-cyclo-5,10-secoandrosta-1(10),2,4-trien-17-one" + ] + }, + { + "compound_id": "C15115", + "inchi": "InChI=1S/C23H34O3/c1-13-10-16-18-7-6-17(14(2)24)22(18,4)12-23(5,26)20(16)21(3)9-8-15(25)11-19(13)21/h11,13,16-18,20,26H,6-10,12H2,1-5H3/t13-,16-,17+,18-,20-,21-,22+,23-/m0/s1", + "name": "11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione", + "names": [ + "11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione", + "11beta-Hydroxy-6alpha,11-dimethylprogesterone" + ] + }, + { + "compound_id": "C15116", + "inchi": "InChI=1S/C22H32O2/c1-13-12-22(4)15(11-20(13)24)5-6-16-18-8-7-17(14(2)23)21(18,3)10-9-19(16)22/h11,13,16-19H,5-10,12H2,1-4H3/t13-,16+,17-,18+,19+,21-,22+/m1/s1", + "name": "2alpha-Methylpregn-4-ene-3,20-dione", + "names": [ + "2alpha-Methylpregn-4-ene-3,20-dione", + "2alpha-Methylprogesterone" + ] + }, + { + "compound_id": "C15117", + "inchi": "InChI=1S/C21H30O/c1-4-21(22)12-10-19-18-8-6-15-13-14(2)5-7-16(15)17(18)9-11-20(19,21)3/h5,7,13,17-19,22H,4,6,8-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1", + "name": "3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol", + "names": [ + "3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol" + ] + }, + { + "compound_id": "C15118", + "inchi": "InChI=1S/C19H20O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-8,10,14H,9H2,1-4H3", + "name": "2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "names": [ + "2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one", + "4',5,6,7-Tetramethoxyflavanone" + ] + }, + { + "compound_id": "C15119", + "inchi": "InChI=1S/C26H42O/c1-17(2)7-6-8-18(3)22-9-10-23-21-16-19-15-20(27)11-13-25(19,4)24(21)12-14-26(22,23)5/h15,17-18,21-24H,6-14,16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26-/m1/s1", + "name": "B-Norcholest-4-en-3-one", + "names": [ + "B-Norcholest-4-en-3-one" + ] + }, + { + "compound_id": "C15120", + "inchi": "InChI=1S/C15H13NO3/c1-19-13-4-2-12(3-5-13)14(15(17)18)10-11-6-8-16-9-7-11/h2-10H,1H3,(H,17,18)/b14-10-", + "name": "alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid", + "names": [ + "alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid" + ] + }, + { + "compound_id": "C15121", + "inchi": "InChI=1S/C15H12N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-10H,1H3/b13-10+", + "name": "alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile", + "names": [ + "alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile" + ] + }, + { + "compound_id": "C15122", + "inchi": "InChI=1S/C16H15NO3/c1-11-4-3-5-13(17-11)10-15(16(18)19)12-6-8-14(20-2)9-7-12/h3-10H,1-2H3,(H,18,19)/b15-10-", + "name": "alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid", + "names": [ + "alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid" + ] + }, + { + "compound_id": "C15123", + "inchi": "InChI=1S/C14H12Cl2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H", + "name": "1,1-Dichloro-2,2-diphenylethane", + "names": [ + "1,1-Dichloro-2,2-diphenylethane" + ] + }, + { + "compound_id": "C15124", + "inchi": "InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,18H,3-6,8,10-11H2,1-2H3/t18-,20-/m0/s1", + "name": "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one", + "names": [ + "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one" + ] + }, + { + "compound_id": "C15125", + "inchi": "InChI=1S/C14H21N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3", + "name": "N-(Cyclohexylmethyl)-N-methylbenzenamine", + "names": [ + "N-(Cyclohexylmethyl)-N-methylbenzenamine", + "N-Methyl-N-phenylcyclohexanemethylamine" + ] + }, + { + "compound_id": "C15126", + "inchi": "InChI=1S/C20H28O3/c1-18-11-17(22)16(21)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h10-11,13-15,22-23H,4-9H2,1-3H3/t13-,14+,15+,18+,19+,20+/m1/s1", + "name": "2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one", + "names": [ + "2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one" + ] + }, + { + "compound_id": "C15127", + "inchi": "InChI=1S/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1", + "name": "6alpha-Fluoropregn-4-ene-3,20-dione", + "names": [ + "6alpha-Fluoropregn-4-ene-3,20-dione", + "6alpha-Fluoroprogesterone" + ] + }, + { + "compound_id": "C15128", + "inchi": "InChI=1S/C25H33NO/c1-24-12-11-20-17(19(24)9-10-23(24)27)8-7-15-13-22-18(14-25(15,20)2)16-5-3-4-6-21(16)26-22/h3-6,15,17,19-20,23,26-27H,7-14H2,1-2H3/t15-,17-,19-,20-,23-,24-,25-/m0/s1", + "name": "1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol", + "names": [ + "1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol" + ] + }, + { + "compound_id": "C15129", + "inchi": "InChI=1S/C18H24O2/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,19-20H,3,5-9H2,1H3/t13-,14+,16-,17-,18-/m0/s1", + "name": "Estra-1,3,5(10)-triene-2,17beta-diol", + "names": [ + "2-Hydroxy-3-deoxyestradiol", + "Estra-1,3,5(10)-triene-2,17beta-diol" + ] + }, + { + "compound_id": "C15130", + "inchi": "InChI=1S/C21H28O3/c1-12(22)15-3-4-16-14-10-19-18-9-13(23)5-8-21(18,11-24-19)17(14)6-7-20(15,16)2/h9,14-17,19H,3-8,10-11H2,1-2H3/t14-,15+,16-,17-,19+,20+,21-/m0/s1", + "name": "6beta,19-Epoxypregn-4-ene-3,20-dione", + "names": [ + "6beta,19-Epoxypregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C15131", + "inchi": "InChI=1S/C16H16O2/c1-17-15-10-11-16(18-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+", + "name": "2,5-Dimethoxystilbene", + "names": [ + "1,4-Dimethoxy-2-(2-phenylethenyl)benzene", + "2,5-Dimethoxystilbene" + ] + }, + { + "compound_id": "C15132", + "inchi": "InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1", + "name": "11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione", + "names": [ + "11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione" + ] + }, + { + "compound_id": "C15133", + "inchi": "InChI=1S/C21H31NO2/c1-13(23)15-6-7-16-14-5-8-18-21(3,12-10-19(24)22(18)4)17(14)9-11-20(15,16)2/h8,14-17H,5-7,9-12H2,1-4H3/t14-,15+,16-,17-,20+,21+/m0/s1", + "name": "4-Methyl-4-aza-5-pregnene-3,20-dione", + "names": [ + "4-Methyl-4-aza-5-pregnene-3,20-dione" + ] + }, + { + "compound_id": "C15134", + "inchi": "InChI=1S/C15H18O2/c16-14-5-3-11-7-10(1-2-12(11)8-14)13-4-6-15(17)9-13/h3,5,8,10,13,16H,1-2,4,6-7,9H2", + "name": "3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone", + "names": [ + "3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone" + ] + }, + { + "compound_id": "C15135", + "inchi": "InChI=1S/C21H28O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,12,15-18H,4-11H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1", + "name": "3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate", + "names": [ + "3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate" + ] + }, + { + "compound_id": "C15136", + "inchi": "InChI=1S/C19H30O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15-,16-,18-,19-/m0/s1", + "name": "3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one", + "names": [ + "3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one", + "Isoandrololactone" + ] + }, + { + "compound_id": "C15137", + "inchi": "InChI=1S/C21H34O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h13-17,22,24H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,19-,20-,21-/m0/s1", + "name": "17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one", + "names": [ + "17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one" + ] + }, + { + "compound_id": "C15138", + "inchi": "InChI=1S/C20H32O3/c1-19-8-6-13(21)10-12(19)4-5-14-15(19)7-9-20(2)16(14)11-17(22)18(20)23-3/h4,13-18,21-22H,5-11H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1", + "name": "17beta-Methoxyandrost-5-ene-3beta,16beta-diol", + "names": [ + "17beta-Methoxyandrost-5-ene-3beta,16beta-diol" + ] + }, + { + "compound_id": "C15139", + "inchi": "InChI=1S/C21H34O3/c1-14(22)24-16-8-10-20(2)15(13-16)6-7-17-18(20)9-11-21(3)19(17)5-4-12-23-21/h15-19H,4-13H2,1-3H3/t15-,16-,17+,18-,19-,20-,21-/m0/s1", + "name": "D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate", + "names": [ + "D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate" + ] + }, + { + "compound_id": "C15140", + "inchi": "InChI=1S/C20H32F2O/c1-17-10-11-20(21,22)12-13(17)4-5-14-15(17)6-8-18(2)16(14)7-9-19(18,3)23/h13-16,23H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1", + "name": "3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol", + "names": [ + "3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol" + ] + }, + { + "compound_id": "C15141", + "inchi": "InChI=1S/C13H14N2/c1-15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3", + "name": "N-(Phenylmethyl)-N-methyl-2-pyridinamine", + "names": [ + "N-(Phenylmethyl)-N-methyl-2-pyridinamine" + ] + }, + { + "compound_id": "C15142", + "inchi": "InChI=1S/C20H26O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,18-19,21H,3-6,8,10-11H2,1-2H3/t18-,19-,20-/m0/s1", + "name": "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol", + "names": [ + "3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol" + ] + }, + { + "compound_id": "C15143", + "inchi": "InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3", + "name": "(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone", + "names": [ + "(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone" + ] + }, + { + "compound_id": "C15144", + "inchi": "InChI=1S/C19H28O3/c1-18-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(18)10-19(2,22)17(18)21/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18-,19-/m0/s1", + "name": "16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one", + "names": [ + "16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one" + ] + }, + { + "compound_id": "C15145", + "inchi": "InChI=1S/C22H24O5/c1-5-21(25)22(6-2,17-7-11-19(12-8-17)26-15(3)23)18-9-13-20(14-10-18)27-16(4)24/h7-14H,5-6H2,1-4H3", + "name": "4,4-Bis[4-(acetyloxy)phenyl]3-hexanone", + "names": [ + "4,4-Bis(4-hydroxyphenyl)-3-hexanone diacetate", + "4,4-Bis[4-(acetyloxy)phenyl]3-hexanone" + ] + }, + { + "compound_id": "C15146", + "inchi": "InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h6,10,15,17,19H,4-5,7-9,11H2,1-3H3/t15-,17-,19+,20-,21+/m0/s1", + "name": "Pregna-4,16-diene-3,11,20-trione", + "names": [ + "Pregna-4,16-diene-3,11,20-trione" + ] + }, + { + "compound_id": "C15147", + "inchi": "InChI=1S/C20H25FO3/c1-11-8-15-14-5-4-12-9-13(22)6-7-19(12,3)20(14,21)16(23)10-18(15,2)17(11)24/h6-7,9,11,14-16,23H,4-5,8,10H2,1-3H3/t11-,14+,15+,16+,18+,19+,20+/m1/s1", + "name": "9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione", + "names": [ + "9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione" + ] + }, + { + "compound_id": "C15148", + "inchi": "InChI=1S/C22H29FO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1", + "name": "9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione", + "names": [ + "9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione" + ] + }, + { + "compound_id": "C15149", + "inchi": "InChI=1S/C21H31NO2/c1-13(23)22-19-7-6-17-16-5-4-14-12-15(24)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3,(H,22,23)/t16-,17-,18-,19-,20-,21-/m0/s1", + "name": "17beta-Acetamidoandrost-4-en-3-one", + "names": [ + "17beta-Acetamidoandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15150", + "inchi": "InChI=1S/C19H24O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-15,22H,3-4,6-7,9-10H2,1-2H3/t14-,15+,17-,18+,19+/m0/s1", + "name": "14-Hydroxyandrosta-1,4-diene-3,17-dione", + "names": [ + "14-Hydroxyandrosta-1,4-diene-3,17-dione" + ] + }, + { + "compound_id": "C15151", + "inchi": "InChI=1S/C19H26O4/c1-11(20)22-17-7-5-15-13-3-6-16-14(4-8-18(21)23-16)12(13)9-10-19(15,17)2/h4,8,12-17H,3,5-7,9-10H2,1-2H3/t12-,13+,14+,15-,16+,17-,19-/m0/s1", + "name": "17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate", + "names": [ + "17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate" + ] + }, + { + "compound_id": "C15152", + "inchi": "InChI=1S/C21H28F2O2/c1-12(24)14-5-6-15-13-4-7-17-20(3,11-9-18(25)21(17,22)23)16(13)8-10-19(14,15)2/h7,13-16H,4-6,8-11H2,1-3H3/t13-,14+,15-,16-,19+,20+/m0/s1", + "name": "4,4-Difluoropregn-5-ene-3,20-dione", + "names": [ + "4,4-Difluoropregn-5-ene-3,20-dione" + ] + }, + { + "compound_id": "C15153", + "inchi": "InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)/t15-/m0/s1", + "name": "(-)-Methallenestrilphenol", + "names": [ + "(-)-3-(6-Hydroxy-2-naphthyl)-2,2-dimethylpentanoic acid", + "(-)-Methallenestrilphenol", + "(-)-beta-Ethyl-6-hydroxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acid" + ] + }, + { + "compound_id": "C15154", + "inchi": "InChI=1S/C21H30O3/c1-12(22)14-4-5-15-13-6-11-21-18(24-21)17(23)8-10-20(21,3)16(13)7-9-19(14,15)2/h13-16,18H,4-11H2,1-3H3/t13-,14+,15-,16-,18-,19+,20+,21-/m0/s1", + "name": "4beta,5beta-Epoxypregnane-3,20-dione", + "names": [ + "4beta,5beta-Epoxypregnane-3,20-dione" + ] + }, + { + "compound_id": "C15155", + "inchi": "InChI=1S/C22H31BrO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-19,26H,5-9,11H2,1-4H3/t12-,16+,17+,18+,19-,20+,21+,22+/m1/s1", + "name": "9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione", + "names": [ + "9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C15156", + "inchi": "InChI=1S/C21H32O2/c1-13(22)14-8-10-20(2)15(12-14)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h8,15-19,23H,4-7,9-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1", + "name": "3-Acetyl-5alpha-androst-2-en-17beta-ol", + "names": [ + "3-Acetyl-5alpha-androst-2-en-17beta-ol" + ] + }, + { + "compound_id": "C15157", + "inchi": "InChI=1S/C23H36O4/c1-14(24)23(27-15(2)25)12-11-21(3)16(13-23)5-6-17-18-7-8-20(26)22(18,4)10-9-19(17)21/h16-20,26H,5-13H2,1-4H3/t16-,17-,18-,19-,20-,21-,22-,23-/m0/s1", + "name": "3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate", + "names": [ + "3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate" + ] + }, + { + "compound_id": "C15158", + "inchi": "InChI=1S/C21H30O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-17,23H,5-13H2,2-3H3/t14-,15-,16-,17-,19-,20-,21-/m0/s1", + "name": "3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one", + "names": [ + "3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one" + ] + }, + { + "compound_id": "C15159", + "inchi": "InChI=1S/C20H30O4/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(23)24-20/h11,13-17,21-22H,3-10H2,1-2H3/b12-11-/t13-,14-,15+,16-,17-,19-,20-/m0/s1", + "name": "3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone", + "names": [ + "3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone" + ] + }, + { + "compound_id": "C15160", + "inchi": "InChI=1S/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3", + "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol", + "names": [ + "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol" + ] + }, + { + "compound_id": "C15161", + "inchi": "InChI=1S/C25H28O6/c1-7-19-20-12-13-22(30-16(3)27)21(14-29-15(2)26)24(20)31-25(4,5)23(19)17-8-10-18(28-6)11-9-17/h8-13H,7,14H2,1-6H3", + "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate", + "names": [ + "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate" + ] + }, + { + "compound_id": "C15162", + "inchi": "InChI=1S/C25H31NO3/c1-5-19-20-12-13-22(27)21(16-26-14-6-7-15-26)24(20)29-25(2,3)23(19)17-8-10-18(28-4)11-9-17/h8-13,27H,5-7,14-16H2,1-4H3", + "name": "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol", + "names": [ + "2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol" + ] + }, + { + "compound_id": "C15163", + "inchi": "InChI=1S/C26H33NO2/c1-25-13-11-22-21-10-8-20(28)15-19(21)7-9-23(22)24(25)12-14-26(25,29)17-27-16-18-5-3-2-4-6-18/h2-6,8,10,15,22-24,27-29H,7,9,11-14,16-17H2,1H3/t22-,23-,24+,25+,26-/m1/s1", + "name": "17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol", + "names": [ + "17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol" + ] + }, + { + "compound_id": "C15164", + "inchi": "InChI=1S/C19H27FO3/c1-18-8-7-11(21)9-10(18)3-4-12-13-5-6-14(22)19(13,2)17(20)16(23)15(12)18/h9,12-17,22-23H,3-8H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,19-/m0/s1", + "name": "12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one", + "names": [ + "12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15165", + "inchi": "InChI=1S/C19H25FO3/c1-18-8-7-11(21)9-10(18)3-4-12-13-5-6-14(22)19(13,2)17(20)16(23)15(12)18/h7-9,12-17,22-23H,3-6H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,19-/m0/s1", + "name": "12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one", + "names": [ + "12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one" + ] + }, + { + "compound_id": "C15166", + "inchi": "InChI=1S/C21H31FO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19-,20-,21-/m0/s1", + "name": "5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate", + "names": [ + "(2alpha,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one", + "5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate" + ] + }, + { + "compound_id": "C15167", + "inchi": "InChI=1S/C21H28O2/c1-13(22)19-8-9-20-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18-,19-,20+,21-/m1/s1", + "name": "3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one", + "names": [ + "3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one" + ] + }, + { + "compound_id": "C15168", + "inchi": "InChI=1S/C18H20O2/c1-3-13(4-2)18(14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4H2,1-2H3", + "name": "4,4'-(2-Ethyl-1-butenylidene)diphenol", + "names": [ + "1,1-Bis(4-hydroxyphenyl)-2-ethyl-1-butene", + "4,4'-(2-Ethyl-1-butenylidene)diphenol" + ] + }, + { + "compound_id": "C15169", + "inchi": "InChI=1S/C19H25FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-16H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1", + "name": "16alpha-Fluoroandrost-4-ene-3,17-dione", + "names": [ + "16alpha-Fluoroandrost-4-ene-3,17-dione" + ] + }, + { + "compound_id": "C15170", + "inchi": "InChI=1S/C20H28O/c1-3-20(2)11-10-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-9-19(18)20/h12,15-17H,3-11H2,1-2H3/t15-,16+,17+,20+/m0/s1", + "name": "17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one", + "names": [ + "17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one" + ] + }, + { + "compound_id": "C15171", + "inchi": "InChI=1S/C25H30O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h2-6,15,19-23H,7-14H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1", + "name": "17beta-Hydroxyestr-4-en-3-one benzoate", + "names": [ + "17beta-Hydroxyestr-4-en-3-one benzoate", + "Nandrolone benzoate" + ] + }, + { + "compound_id": "C15172", + "inchi": "InChI=1S/C21H29FO4/c1-11(23)21(26)7-5-14-13-9-16(22)15-8-12(24)4-6-19(15,2)18(13)17(25)10-20(14,21)3/h8,13-14,16-18,25-26H,4-7,9-10H2,1-3H3/t13-,14-,16-,17-,18+,19-,20-,21-/m0/s1", + "name": "6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione", + "names": [ + "6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione", + "6alpha-Fluoro-11beta,17-dihydroxyprogesterone" + ] + }, + { + "compound_id": "C15173", + "inchi": "InChI=1S/C23H37O5P/c1-5-28-29(26,27)20-13-19-17-7-6-15-12-16(25)8-10-22(15,3)18(17)9-11-23(19,4)21(20)14(2)24/h6,16-21,25H,5,7-13H2,1-4H3,(H,26,27)/t16-,17+,18-,19-,20?,21-,22-,23-/m0/s1", + "name": "3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester", + "names": [ + "(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester", + "3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester" + ] + }, + { + "compound_id": "C15174", + "inchi": "InChI=1S/C20H24O4/c1-20-9-8-15-14-5-3-13(24-11-19(22)23)10-12(14)2-4-16(15)17(20)6-7-18(20)21/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H,22,23)/t15-,16-,17+,20+/m1/s1", + "name": "Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid", + "names": [ + "3-O-(Carboxymethyl)estrone", + "Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid" + ] + }, + { + "compound_id": "C15175", + "inchi": "InChI=1S/C20H31NO2/c1-18-10-9-17(22)21(4)16(18)6-5-13-14(18)7-11-19(2)15(13)8-12-20(19,3)23/h6,13-15,23H,5,7-12H2,1-4H3/t13-,14+,15+,18-,19+,20+/m1/s1", + "name": "17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one", + "names": [ + "17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one" + ] + }, + { + "compound_id": "C15176", + "inchi": "InChI=1S/C20H32O2/c1-18-11-9-16-14(15(18)10-12-19(18,2)22)8-7-13-5-4-6-17(21)20(13,16)3/h4,6,13-17,21-22H,5,7-12H2,1-3H3/t13-,14+,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol", + "names": [ + "17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol" + ] + }, + { + "compound_id": "C15177", + "inchi": "InChI=1S/C21H29NO2/c1-19-11-13-12-22-24-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h10,12,15-17,23H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1", + "name": "17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol", + "names": [ + "17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol" + ] + }, + { + "compound_id": "C15178", + "inchi": "InChI=1S/C7H9N3O4/c11-4-3-8-9-5-6-1-2-7(14-6)10(12)13/h1-2,5,8,11H,3-4H2/b9-5+", + "name": "5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone", + "names": [ + "5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone" + ] + }, + { + "compound_id": "C15179", + "inchi": "InChI=1S/C22H20O/c1-17(18-13-15-21(23-2)16-14-18)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3", + "name": "1,1-Diphenyl-2-(4-methoxyphenyl)propene", + "names": [ + "1,1-Diphenyl-2-(4-methoxyphenyl)propene" + ] + }, + { + "compound_id": "C15180", + "inchi": "InChI=1S/C24H34O4S/c1-5-21(27)28-20-9-8-16-15-6-7-18-22(29-14(2)25)19(26)11-13-23(18,3)17(15)10-12-24(16,20)4/h15-17,20H,5-13H2,1-4H3/t15-,16-,17-,20-,23+,24-/m0/s1", + "name": "17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate", + "names": [ + "17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate" + ] + }, + { + "compound_id": "C15181", + "inchi": "InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1", + "name": "Wortmannin", + "names": [ + "Wortmannin" + ] + }, + { + "compound_id": "C15182", + "inchi": "InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1", + "name": "Temsirolimus", + "names": [ + "42-[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoate]rapamycin", + "CCI 779", + "Temsirolimus" + ] + }, + { + "compound_id": "C15183", + "inchi": "InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1", + "name": "AP 23573", + "names": [ + "42-(Dimethylphosphinate)rapamycin", + "AP 23573", + "Deforolimus" + ] + }, + { + "compound_id": "C15184", + "inchi": "InChI=1S/C20H30O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16,18,22H,4-10H2,1-3H3/t12-,14-,15-,16-,18-,19+,20-/m0/s1", + "name": "17beta-Hydroxy-6alpha-methylandrost-4-en-3-one", + "names": [ + "17beta-Hydroxy-6alpha-methylandrost-4-en-3-one", + "6alpha-Methyltestosterone" + ] + }, + { + "compound_id": "C15185", + "inchi": "InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h6,9,12,17-19,27H,4-5,7-8,10-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1", + "name": "21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione", + "names": [ + "11-Deoxyprednisone acetate", + "21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione" + ] + }, + { + "compound_id": "C15186", + "inchi": "InChI=1S/C23H32O2/c1-5-23(25-16(2)24)15-12-20-18-10-9-17-8-6-7-13-21(17,3)19(18)11-14-22(20,23)4/h1,6-7,17-20H,8-15H2,2-4H3/t17-,18-,19+,20+,21+,22+,23+/m1/s1", + "name": "5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate", + "names": [ + "17alpha-Ethynyl-5alpha-androst-2-en 17beta-acetate", + "5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate" + ] + }, + { + "compound_id": "C15187", + "inchi": "InChI=1S/C21H28O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h10,14-19H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19+,20-,21+/m0/s1", + "name": "11beta,12beta-Epoxypregn-4-ene-3,20-dione", + "names": [ + "11beta,12beta-Epoxypregn-4-ene-3,20-dione", + "11beta,12beta-Epoxyprogesterone" + ] + }, + { + "compound_id": "C15188", + "inchi": "InChI=1S/C20H30O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h13,15-19H,3-11H2,1-2H3/t13-,15-,16+,17+,18+,19-,20+/m0/s1", + "name": "19-Nor-5alpha-pregnane-3,20-dione", + "names": [ + "19-Nor-5alpha-pregnane-3,20-dione" + ] + }, + { + "compound_id": "C15189", + "inchi": "InChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H", + "name": "3-(4-Chlorophenyl)-2H-1-benzopyran-2-one", + "names": [ + "3-(4-Chlorophenyl)-2H-1-benzopyran-2-one", + "3-(p-Chlorophenyl)coumarin" + ] + }, + { + "compound_id": "C15190", + "inchi": "InChI=1S/C22H30O2/c1-13-11-20-17(19-8-7-18(14(2)23)22(13,19)4)6-5-15-12-16(24)9-10-21(15,20)3/h11-13,17-19H,5-10H2,1-4H3/t13-,17-,18+,19-,21-,22+/m0/s1", + "name": "12alpha-Methylpregna-4,9(11)-diene-3,20-dione", + "names": [ + "12alpha-Methylpregna-4,9(11)-diene-3,20-dione" + ] + }, + { + "compound_id": "C15191", + "inchi": "InChI=1S/C18H16O3/c1-11(2)18-16(14-5-3-4-6-15(14)21-18)17(20)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3", + "name": "(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone", + "names": [ + "(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone", + "2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran" + ] + }, + { + "compound_id": "C15192", + "inchi": "InChI=1S/C20H28O3/c1-17-8-6-13(21)10-12(17)4-5-15-14-7-9-19(3,22)18(14,2)11-16-20(15,17)23-16/h10,14-16,22H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20+/m0/s1", + "name": "9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one", + "names": [ + "9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one" + ] + }, + { + "compound_id": "C15193", + "inchi": "InChI=1S/C18H18N2O2/c1-3-15-17(14-6-4-5-7-16(14)21)18(20-19-15)12-8-10-13(22-2)11-9-12/h4-11,21H,3H2,1-2H3,(H,19,20)", + "name": "2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol", + "names": [ + "2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol" + ] + }, + { + "compound_id": "C15194", + "inchi": "InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h8,11,14-15H,3-7,9-10H2,1-2H3/t14-,15-,18-,19-/m0/s1", + "name": "Androsta-4,9(11)-diene-3,17-dione", + "names": [ + "9(11)-Dehydroandrostenedione", + "Androsta-4,9(11)-diene-3,17-dione" + ] + }, + { + "compound_id": "C15195", + "inchi": "InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2", + "name": "LY 294002", + "names": [ + "2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one", + "LY 294002" + ] + }, + { + "compound_id": "C15196", + "inchi": "InChI=1S/C14H12O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1,3,5,7,15,17H,2,4,6H2", + "name": "3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone", + "names": [ + "3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone" + ] + }, + { + "compound_id": "C15197", + "inchi": "InChI=1S/C22H32N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h3,9,12,15-19,25H,4-8,10-11,13H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,19+,21-,22-/m0/s1", + "name": "17beta-Pyrazol-3-ylandrost-5-en-3beta-ol", + "names": [ + "17beta-Pyrazol-3-ylandrost-5-en-3beta-ol" + ] + }, + { + "compound_id": "C15198", + "inchi": "InChI=1S/C21H36O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h14-18,22-23H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21+/m0/s1", + "name": "3-Ethyl-5alpha-androstane-3alpha,17beta-diol", + "names": [ + "3-Ethyl-5alpha-androstane-3alpha,17beta-diol" + ] + }, + { + "compound_id": "C15199", + "inchi": "InChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1", + "name": "3-Ethynyl-5alpha-androstane-3beta,17beta-diol", + "names": [ + "3-Ethynyl-5alpha-androstane-3beta,17beta-diol" + ] + }, + { + "compound_id": "C15200", + "inchi": "InChI=1S/C19H24O3/c1-17-10-16-19(22-16)14(13(17)5-6-15(17)21)4-3-11-9-12(20)7-8-18(11,19)2/h9,13-14,16H,3-8,10H2,1-2H3/t13-,14-,16-,17-,18-,19+/m0/s1", + "name": "9beta,11beta-Epoxyandrost-4-ene-3,17-dione", + "names": [ + "9beta,11beta-Epoxyandrost-4-ene-3,17-dione" + ] + }, + { + "compound_id": "C15201", + "inchi": "InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,17+,18+/m1/s1", + "name": "5beta-Estrane-3alpha,17beta-diol", + "names": [ + "19-Nor-5beta-androstane-3alpha,17beta-diol", + "5beta-Estrane-3alpha,17beta-diol" + ] + }, + { + "compound_id": "C15202", + "inchi": "InChI=1S/C12H9ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-8,14H", + "name": "2'-Chloro-4-biphenylol", + "names": [ + "2'-Chloro-4-biphenylol" + ] + }, + { + "compound_id": "C15203", + "inchi": "InChI=1S/C16H12O4/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-9,17H,1H3", + "name": "6-Hydroxy-2'-methoxyflavone", + "names": [ + "6-Hydroxy-2'-methoxyflavone", + "6-Hydroxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C15204", + "inchi": "InChI=1S/C15H12O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15-16H,9H2", + "name": "3'-Hydroxyflavanone", + "names": [ + "3'-Hydroxyflavanone" + ] + }, + { + "compound_id": "C15205", + "inchi": "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3", + "name": "Diisobutyl phthalate", + "names": [ + "DIBP", + "Diisobutyl phthalate" + ] + }, + { + "compound_id": "C15206", + "inchi": "InChI=1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3", + "name": "3,3-Bis(4-hydroxyphenyl)pentane", + "names": [ + "3,3-Bis(4-hydroxyphenyl)pentane", + "4,4'-(1-Ethylpropane-1,1,-diyl)diphenol" + ] + }, + { + "compound_id": "C15207", + "inchi": "InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(33-23-20(27)18(25)19(26)21(34-23)22(28)29)10-11(13)2-4-15(14)16(24)6-7-17(24)35-36(30,31)32/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1", + "name": "17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate", + "names": [ + "17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate", + "Estradiol 3-glucuronide 17beta-sulfate" + ] + }, + { + "compound_id": "C15208", + "inchi": "InChI=1S/C21H28O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h5-12,15-16,22-23H,13-14H2,1-4H3", + "name": "Bisphenol A bis(2-hydroxypropyl) ether", + "names": [ + "2,2-Bis[4-(2-hydroxy-2-methylethoxy)phenyl]propane", + "Bisphenol A bis(2-hydroxypropyl) ether", + "Bisphenol A propoxylate" + ] + }, + { + "compound_id": "C15209", + "inchi": "InChI=1S/C25H28O6/c1-5-23(26)30-17-15-28-21-11-7-19(8-12-21)25(3,4)20-9-13-22(14-10-20)29-16-18-31-24(27)6-2/h5-14H,1-2,15-18H2,3-4H3", + "name": "Bisphenol A ethoxylate diacrylate", + "names": [ + "Bisphenol A ethoxylate diacrylate" + ] + }, + { + "compound_id": "C15210", + "inchi": "InChI=1S/C15H16O2/c1-2-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,15-17H,2H2,1H3", + "name": "1,1-Bis(4-hydroxyphenyl)propane", + "names": [ + "1,1-Bis(4-hydroxyphenyl)propane" + ] + }, + { + "compound_id": "C15211", + "inchi": "InChI=1S/C19H24O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h5-12,20-21H,3-4,13-14H2,1-2H3", + "name": "4,4-Bis(4-hydroxyphenyl)heptane", + "names": [ + "4,4-Bis(4-hydroxyphenyl)heptane" + ] + }, + { + "compound_id": "C15212", + "inchi": "InChI=1S/C12H7Cl3O/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6,16H", + "name": "2,2',5-Trichloro-4-hydroxybiphenyl", + "names": [ + "2,2',5-Trichloro-4-hydroxybiphenyl" + ] + }, + { + "compound_id": "C15213", + "inchi": "InChI=1S/C12H3Cl7O/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2,20H", + "name": "2,2',3',4,4',5,5'-Heptachloro-3-biphenylol", + "names": [ + "2,2',3',4,4',5,5'-Heptachloro-3-biphenylol" + ] + }, + { + "compound_id": "C15214", + "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m0/s1", + "name": "alpha-Hexachlorocyclohexane", + "names": [ + "1alpha,2alpha,3beta,4alpha,5beta,6beta-Hexachlorocyclohexane", + "alpha-HCH", + "alpha-Hexachlorocyclohexane", + "alpha-Lindane" + ] + }, + { + "compound_id": "C15215", + "inchi": "InChI=1S/C18H22O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,15-17,19H,2,4,6-7,9-10H2,1H3/t15-,16-,17+,18-/m1/s1", + "name": "3-Hydroxyestra-1,3,5(10)-trien-16-one", + "names": [ + "3-Hydroxyestra-1,3,5(10)-trien-16-one" + ] + }, + { + "compound_id": "C15216", + "inchi": "InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1", + "name": "3-Methoxyestriol", + "names": [ + "3-Methoxyestra-1,3,5(10)-triene-16alpha,17beta-diol", + "3-Methoxyestriol", + "Estriol 3-methyl ether" + ] + }, + { + "compound_id": "C15217", + "inchi": "InChI=1S/C19H24O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h6-13,18-20H,4-5H2,1-3H3", + "name": "4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol", + "names": [ + "3-(p-Phenyl)-4-(p-tolyl)hexane", + "4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol" + ] + }, + { + "compound_id": "C15218", + "inchi": "InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H", + "name": "2,2',4,4'-Tetrahydroxybenzil", + "names": [ + "2,2',4,4'-Tetrahydroxybenzil", + "Bis(2,4-dihydroxyphenyl)ethanedione" + ] + }, + { + "compound_id": "C15219", + "inchi": "InChI=1S/C20H26O2/c1-5-18(15-7-9-16(21)10-8-15)19(6-2)20-13(3)11-17(22)12-14(20)4/h7-12,18-19,21-22H,5-6H2,1-4H3", + "name": "2,6-Dimethylhexestrol", + "names": [ + "2,6-Dimethylhexestrol", + "4-[1-Ethyl-2-(4-hydroxyphenyl)butyl]-3,5-dimethylphenol" + ] + }, + { + "compound_id": "C15220", + "inchi": "InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3", + "name": "2-Chloro-4-methylphenol", + "names": [ + "2-Chloro-4-methylphenol", + "2-Chloro-p-cresol" + ] + }, + { + "compound_id": "C15221", + "inchi": "InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3", + "name": "Diisononyl phthalate", + "names": [ + "Diisononyl phthalate" + ] + }, + { + "compound_id": "C15222", + "inchi": "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-7-10(17)5-6-12(11)20-15/h1-7,16-17,19H", + "name": "3,6,4'-Trihydroxyflavone", + "names": [ + "3,6,4'-Trihydroxyflavone", + "3,6-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" + ] + }, + { + "compound_id": "C15224", + "inchi": "InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1", + "name": "Tributyltin chloride", + "names": [ + "Tri-n-butylchlorotin", + "Tributylchlorostannane", + "Tributyltin chloride" + ] + }, + { + "compound_id": "C15225", + "inchi": null, + "name": "Manzeb", + "names": [ + "Mancozeb", + "Manzeb" + ] + }, + { + "compound_id": "C15226", + "inchi": "InChI=1S/ClH.Tl/h1H;/q;+1/p-1", + "name": "Thallium chloride", + "names": [ + "Thallium chloride", + "Thallous chloride" + ] + }, + { + "compound_id": "C15227", + "inchi": "InChI=1S/2Cr.2K.7O/q;;2*+1;;;;;;2*-1", + "name": "Potassium dichromate", + "names": [ + "Potassium dichromate" + ] + }, + { + "compound_id": "C15228", + "inchi": "InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1", + "name": "beta-Estradiol 17-acetate", + "names": [ + "17beta-Acetylestradiol", + "Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate", + "beta-Estradiol 17-acetate" + ] + }, + { + "compound_id": "C15229", + "inchi": "InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2", + "name": "Ziram", + "names": [ + "Ziram" + ] + }, + { + "compound_id": "C15230", + "inchi": "InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3", + "name": "Iprobenfos", + "names": [ + "IBP", + "Iprobenfos", + "Kitazin P", + "S-Benzyl O,O-diisopropyl phosphorothioate" + ] + }, + { + "compound_id": "C15231", + "inchi": null, + "name": "Maneb", + "names": [ + "Maneb" + ] + }, + { + "compound_id": "C15232", + "inchi": "InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2", + "name": "Zineb", + "names": [ + "Zineb" + ] + }, + { + "compound_id": "C15233", + "inchi": "InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2", + "name": "Cadmium chloride", + "names": [ + "Cadmium chloride" + ] + }, + { + "compound_id": "C15234", + "inchi": "InChI=1S/2NO3.Pb/c2*2-1(3)4;/q2*-1;+2", + "name": "Lead nitrate", + "names": [ + "Lead nitrate" + ] + }, + { + "compound_id": "C15235", + "inchi": "InChI=1S/3ClH.Sb/h3*1H;/q;;;+3/p-3", + "name": "Antimony trichloride", + "names": [ + "Antimony trichloride", + "Antimony(III) chloride", + "Trichlorostibine" + ] + }, + { + "compound_id": "C15236", + "inchi": "InChI=1S/C12H5Cl3O2/c13-8-4-7-6-3-5(16)1-2-9(6)17-12(7)11(15)10(8)14/h1-4,16H", + "name": "8-Hydroxy-2,3,4-trichlorodibenzofuran", + "names": [ + "8-Hydroxy-2,3,4-trichlorodibenzofuran" + ] + }, + { + "compound_id": "C15237", + "inchi": "InChI=1S/C12H7ClO2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,14H", + "name": "8-Hydroxy-2-chlorodibenzofuran", + "names": [ + "8-Chloro-2-dibenzofuranol", + "8-Hydroxy-2-chlorodibenzofuran" + ] + }, + { + "compound_id": "C15238", + "inchi": "InChI=1S/C12H5Cl3O2/c13-8-2-1-6-7-3-5(16)4-9(14)11(7)17-12(6)10(8)15/h1-4,16H", + "name": "8-Hydroxy-3,4,6-trichlorodibenzofuran", + "names": [ + "4,6,7-Trichloro-2-dibenzofuranol", + "8-Hydroxy-3,4,6-trichlorodibenzofuran" + ] + }, + { + "compound_id": "C15239", + "inchi": "InChI=1S/C12H6Cl2O2/c13-9-3-2-7-8-5-6(15)1-4-10(8)16-12(7)11(9)14/h1-5,15H", + "name": "8-Hydroxy-3,4-dichlorodibenzofuran", + "names": [ + "6,7-Dichloro-2-dibenzofuranol", + "8-Hydroxy-3,4-dichlorodibenzofuran" + ] + }, + { + "compound_id": "C15240", + "inchi": "InChI=1S/C12H6Cl2O2/c13-8-5-4-7-6-2-1-3-9(15)11(6)16-12(7)10(8)14/h1-5,15H", + "name": "6-Hydroxy-3,4-dichlorodibenzofuran", + "names": [ + "6,7-Dichloro-4-dibenzofuranol", + "6-Hydroxy-3,4-dichlorodibenzofuran" + ] + }, + { + "compound_id": "C15241", + "inchi": "InChI=1S/C12H7ClO2/c13-7-1-3-9-10-6-8(14)2-4-11(10)15-12(9)5-7/h1-6,14H", + "name": "8-Hydroxy-3-chlorodibenzofuran", + "names": [ + "7-Chloro-2-dibenzofuranol", + "8-Hydroxy-3-chlorodibenzofuran" + ] + }, + { + "compound_id": "C15242", + "inchi": "InChI=1S/C12H7ClO3/c13-9-4-8-7-3-6(14)1-2-11(7)16-12(8)5-10(9)15/h1-5,14-15H", + "name": "8-Chloro-2,7-dibenzofurandiol", + "names": [ + "3,8-Dihydroxy-2-chlorodibenzofuran", + "8-Chloro-2,7-dibenzofurandiol" + ] + }, + { + "compound_id": "C15243", + "inchi": "InChI=1S/C12H6Cl2O2/c13-6-1-2-11-7(3-6)8-4-9(14)10(15)5-12(8)16-11/h1-5,15H", + "name": "3-Hydroxy-2,8-dichlorodibenzofuran", + "names": [ + "2,8-Dichloro-3-dibenzofuranol", + "3-Hydroxy-2,8-dichlorodibenzofuran" + ] + }, + { + "compound_id": "C15244", + "inchi": "InChI=1S/C12H3Cl5O2/c13-4-2-6-7(9(16)8(4)15)3-1-5(14)11(18)10(17)12(3)19-6/h1-2,18H", + "name": "7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran", + "names": [ + "2,4,7,8,9-Pentachloro-3-dibenzofuranol", + "7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran" + ] + }, + { + "compound_id": "C15245", + "inchi": "InChI=1S/C12H6Cl2O2/c13-9-4-3-8-7-2-1-6(15)5-10(7)16-12(8)11(9)14/h1-5,15H", + "name": "7-Hydroxy-3,4-dichlorodibenzofuran", + "names": [ + "6,7-Dichloro-3-dibenzofuranol", + "7-Hydroxy-3,4-dichlorodibenzofuran" + ] + }, + { + "compound_id": "C15246", + "inchi": "InChI=1S/C12H6Cl2O2/c13-7-5-4-6-10-8(15)2-1-3-9(10)16-12(6)11(7)14/h1-5,15H", + "name": "9-Hydroxy-3,4-dichlorodibenzofuran", + "names": [ + "6,7-Dichloro-1-dibenzofuranol", + "9-Hydroxy-3,4-dichlorodibenzofuran" + ] + }, + { + "compound_id": "C15247", + "inchi": "InChI=1S/C12H6Cl2O2/c13-6-1-4-10-7(5-6)11-9(15)3-2-8(14)12(11)16-10/h1-5,15H", + "name": "9-Hydroxy-2,6-dichlorodibenzofuran", + "names": [ + "4,8-Dichloro-1-dibenzofuranol", + "9-Hydroxy-2,6-dichlorodibenzofuran" + ] + }, + { + "compound_id": "C15248", + "inchi": "InChI=1S/C12H6Cl4O/c13-7-1-2-9(14)8(5-7)6-3-10(15)12(17)11(16)4-6/h1-5,17H", + "name": "4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl", + "names": [ + "2',3,5,5'-Tetrachloro-4-biphenylol", + "4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl" + ] + }, + { + "compound_id": "C15249", + "inchi": "InChI=1S/C13H13Cl2NO3/c1-12(6-13(12,2)11(18)19)10(17)16-9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3,(H,16,17)(H,18,19)", + "name": "2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid", + "names": [ + "2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid" + ] + }, + { + "compound_id": "C15250", + "inchi": "InChI=1S/C8H8Cl2N2O2/c1-12(14)8(13)11-5-2-3-6(9)7(10)4-5/h2-4,14H,1H3,(H,11,13)", + "name": "3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea", + "names": [ + "3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea", + "Hydroxylinuron" + ] + }, + { + "compound_id": "C15251", + "inchi": "InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h17-19,21-24H,6-16H2,1-5H3,(H,28,29)/t19-,21+,22-,23+,24+,26+,27-/m1/s1", + "name": "3-Aza-A-homocholest-4a-en-4-one", + "names": [ + "3-Aza-A-homocholest-4a-en-4-one" + ] + }, + { + "compound_id": "C15252", + "inchi": "InChI=1S/C20H32O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h12-16,18,22H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1", + "name": "17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one", + "names": [ + "17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one", + "4,5alpha-Dihydro-4alpha-methyltestosterone" + ] + }, + { + "compound_id": "C15253", + "inchi": "InChI=1S/C22H31FO3/c1-4-19(25)26-20-18(23)12-17-15-6-5-13-11-14(24)7-9-21(13,2)16(15)8-10-22(17,20)3/h11,15-18,20H,4-10,12H2,1-3H3/t15-,16+,17+,18+,20+,21+,22+/m1/s1", + "name": "16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "names": [ + "16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "16beta-Fluorotestosterone propionate" + ] + }, + { + "compound_id": "C15254", + "inchi": "InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19-,20+,21+/m1/s1", + "name": "3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol", + "names": [ + "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol", + "3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol", + "3-Allyloxyestriol" + ] + }, + { + "compound_id": "C15255", + "inchi": "InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-17,20-21H,5-8H2,1-2H3/t14-,15+,16+,17+,19+/m1/s1", + "name": "1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol", + "names": [ + "1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol" + ] + }, + { + "compound_id": "C15256", + "inchi": "InChI=1S/C23H31FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h8,14-15,17-18,20,27,29H,4-7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1", + "name": "6alpha-Fluoro-17-hydroxycorticosterone 21-acetate", + "names": [ + "6alpha-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate", + "6alpha-Fluoro-17-hydroxycorticosterone 21-acetate" + ] + }, + { + "compound_id": "C15257", + "inchi": "InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-17,20H,2-10H2,1H3/t14-,15-,16+,17+,18+/m1/s1", + "name": "17beta-Hydroxyestr-5(10)-en-3-one", + "names": [ + "17beta-Hydroxyestr-5(10)-en-3-one", + "Prenortestosterone" + ] + }, + { + "compound_id": "C15258", + "inchi": "InChI=1S/C19H28O2/c1-11-9-15-12(10-17(11)20)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h10-11,13-16,18,21H,3-9H2,1-2H3/t11-,13+,14-,15+,16+,18+,19+/m1/s1", + "name": "17beta-Hydroxy-2alpha-methylestr-4-en-3-one", + "names": [ + "17beta-Hydroxy-2alpha-methylestr-4-en-3-one", + "2alpha-Methyl-19-nortestosterone" + ] + }, + { + "compound_id": "C15259", + "inchi": "InChI=1S/C20H30O2/c1-12-10-16-13(11-18(12)21)4-5-15-14(16)6-8-19(2)17(15)7-9-20(19,3)22/h11-12,14-17,22H,4-10H2,1-3H3/t12-,14+,15-,16+,17+,19+,20+/m1/s1", + "name": "17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one", + "names": [ + "17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one", + "2alpha,17-Dimethyl-19-nortestosterone" + ] + }, + { + "compound_id": "C15260", + "inchi": "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11,14,16-19H,4-8,10,12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1", + "name": "5beta-Pregn-11-ene-3,20-dione", + "names": [ + "5beta-Pregn-11-ene-3,20-dione" + ] + }, + { + "compound_id": "C15261", + "inchi": "InChI=1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15+,16+,17-,18+/m0/s1", + "name": "Estra-1,3,5(10)-triene-3,16beta-diol", + "names": [ + "16beta-Estradiol", + "Estra-1,3,5(10)-triene-3,16beta-diol" + ] + }, + { + "compound_id": "C15262", + "inchi": "InChI=1S/C20H28O/c1-13-10-19-18-6-4-14-11-15(21-3)5-7-16(14)17(18)8-9-20(19,2)12-13/h5,7,11,13,17-19H,4,6,8-10,12H2,1-3H3/t13-,17+,18+,19-,20+/m0/s1", + "name": "3-Methoxyestra-1,3,5(10)-trien-16beta-ol", + "names": [ + "16beta-Estradiol-3-methyl ether", + "3-Methoxyestra-1,3,5(10)-trien-16beta-ol" + ] + }, + { + "compound_id": "C15263", + "inchi": "InChI=1S/C20H28O2/c1-12(21)16-6-7-17-15-5-4-13-10-14(22)11-20(13,3)18(15)8-9-19(16,17)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-/m0/s1", + "name": "A-Norpregn-3(5)-ene-2,20-dione", + "names": [ + "A-Norpregn-3(5)-ene-2,20-dione", + "A-Norprogesterone" + ] + }, + { + "compound_id": "C15264", + "inchi": "InChI=1S/C21H34O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1", + "name": "17beta-Hydroxy-5alpha-androstane acetate", + "names": [ + "17beta-Acetoxy-5alpha-androstane", + "17beta-Hydroxy-5alpha-androstane acetate" + ] + }, + { + "compound_id": "C15265", + "inchi": "InChI=1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17+,18-,19-,20+,21-,22-/m0/s1", + "name": "16beta-Methylpregn-4-ene-3,20-dione", + "names": [ + "16beta-Methylpregn-4-ene-3,20-dione", + "16beta-Methylprogesterone" + ] + }, + { + "compound_id": "C15266", + "inchi": "InChI=1S/C23H34O3/c1-4-21(25)26-20-7-5-6-18-17-9-8-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h14,17-20H,4-13H2,1-3H3/t17-,18-,19-,20-,22-,23-/m0/s1", + "name": "17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate", + "names": [ + "17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate", + "D-Homotestosterone propionate" + ] + }, + { + "compound_id": "C15267", + "inchi": "InChI=1S/C22H28O4/c1-21-9-8-15(23)10-13(21)4-6-16-17-7-5-14(11-19(25)26-3)22(17,2)12-18(24)20(16)21/h10-11,16-17,20H,4-9,12H2,1-3H3/b14-11-/t16-,17-,20+,21-,22+/m0/s1", + "name": "(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester", + "names": [ + "(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester" + ] + }, + { + "compound_id": "C15268", + "inchi": "InChI=1S/C14H11NO3/c16-15(17)12-8-6-11(7-9-12)14-13(18-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1", + "name": "trans-2-(4-Nitrophenyl)-3-phenyloxirane", + "names": [ + "trans- alpha,alpha'-Epoxy-4-nitrobibenzyl", + "trans-2-(4-Nitrophenyl)-3-phenyloxirane", + "trans-4-Nitrostilbene oxide" + ] + }, + { + "compound_id": "C15269", + "inchi": "InChI=1S/C24H33FO6/c1-13-10-21(3)15(9-18(13)27)5-6-17-16-7-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(17,21)25/h9,13,16-17,19,28,30H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21+,22+,23+,24+/m1/s1", + "name": "9-Fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", + "names": [ + "9-Fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", + "9-Fluoro-2alpha-methylcortisol 21-acetate" + ] + }, + { + "compound_id": "C15270", + "inchi": "InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H", + "name": "Cycloguanil hydrochloride", + "names": [ + "1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine monohydrochloride", + "Cycloguanil hydrochloride" + ] + }, + { + "compound_id": "C15271", + "inchi": "InChI=1S/C22H29FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1", + "name": "9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione", + "names": [ + "9-Fluoro-2alpha-methyl-11-oxoprogesterone", + "9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione" + ] + }, + { + "compound_id": "C15272", + "inchi": "InChI=1S/C25H38O5/c1-14(26)20-8-9-21-19-7-6-17-12-18(29-15(2)27)10-11-24(17,4)22(19)13-23(25(20,21)5)30-16(3)28/h17-23H,6-13H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1", + "name": "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate", + "names": [ + "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate" + ] + }, + { + "compound_id": "C15273", + "inchi": "InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h9,11,14,16-19H,4-8,10,12-13H2,1-3H3/t14-,16-,17-,18-,19-,21-,22-/m0/s1", + "name": "17beta-Hydroxy-5alpha-androst-1-en-3-one propionate", + "names": [ + "17beta-Hydroxy-5alpha-androst-1-en-3-one propionate" + ] + }, + { + "compound_id": "C15274", + "inchi": "InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24+,27-,28+,29+,30+/m0/s1", + "name": "Allobetulinol", + "names": [ + "19beta,28-Epoxy-18alpha-oleanan-3beta-ol", + "Allobetulin", + "Allobetulinol" + ] + }, + { + "compound_id": "C15275", + "inchi": "InChI=1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h10,13,16-17,19,21,27,29H,5-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1", + "name": "21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", + "names": [ + "17-Hydroxy-6alpha-methylcorticosterone 21-acetate", + "21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C15276", + "inchi": "InChI=1S/C19H27FO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-16(21)15(20)10-19(11,14)2/h9,12-15,17,22H,3-8,10H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1", + "name": "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one", + "names": [ + "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one", + "2alpha-Fluorotestosterone" + ] + }, + { + "compound_id": "C15277", + "inchi": "InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18-,19+,20-/m1/s1", + "name": "3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one", + "names": [ + "3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one" + ] + }, + { + "compound_id": "C15278", + "inchi": "InChI=1S/C16H18O2/c1-11(2)16(12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-11,16-18H,1-2H3", + "name": "4,4'-(2-Methylpropylidene)bisphenol", + "names": [ + "4,4'-(2-Methylpropylidene)bisphenol", + "4,4'-Isobutylidenediphenol" + ] + }, + { + "compound_id": "C15279", + "inchi": "InChI=1S/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)", + "name": "2-Amino-6-(benzylthio)purine", + "names": [ + "2-Amino-6-(benzylthio)purine", + "6-Benzylthioguanine", + "Benzythioguanine" + ] + }, + { + "compound_id": "C15280", + "inchi": "InChI=1S/C25H36O4/c1-14-11-17-18(23(5)9-7-16(27)12-19(14)23)8-10-24(6)20(17)13-21-25(24,15(2)26)29-22(3,4)28-21/h12,14,17-18,20-21H,7-11,13H2,1-6H3/t14-,17+,18-,20-,21+,23+,24-,25+/m0/s1", + "name": "16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone", + "names": [ + "16alpha,17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione cyclic acetal with acetone", + "16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone" + ] + }, + { + "compound_id": "C15281", + "inchi": "InChI=1S/C19H31NO2/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20(21)22)19(15,2)12-10-16(14)18/h13-17H,3-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", + "name": "17beta-Nitro-5alpha-androstane", + "names": [ + "17beta-Nitro-5alpha-androstane" + ] + }, + { + "compound_id": "C15282", + "inchi": "InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h16-19H,3-11H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1", + "name": "17beta-Hydroxyestr-5(10)-en-3-one acetate", + "names": [ + "17beta-Hydroxyestr-5(10)-en-3-one acetate", + "19-Norandrost-5(10)-en-17beta-acetoxy-3-one" + ] + }, + { + "compound_id": "C15283", + "inchi": "InChI=1S/C26H40O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-18,20-23H,3-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1", + "name": "17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate", + "names": [ + "17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate" + ] + }, + { + "compound_id": "C15284", + "inchi": "InChI=1S/C23H32O5/c1-13(24)27-20-12-16-17-5-6-21(28-14(2)25)23(17,4)10-8-18(16)22(3)9-7-15(26)11-19(20)22/h11,16-18,20-21H,5-10,12H2,1-4H3/t16-,17-,18-,20+,21-,22+,23-/m0/s1", + "name": "6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate", + "names": [ + "6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate", + "6beta-Hydroxytestosterone diacetate" + ] + }, + { + "compound_id": "C15285", + "inchi": "InChI=1S/C20H34O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12-17,21-23H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,18-,19-,20-/m0/s1", + "name": "17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol", + "names": [ + "17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol", + "U6952" + ] + }, + { + "compound_id": "C15286", + "inchi": "InChI=1S/C19H28O3/c1-17-8-6-13-11(12(17)3-4-15(17)21)5-10-19-16(22-19)14(20)7-9-18(13,19)2/h11-13,15-16,21H,3-10H2,1-2H3/t11-,12-,13-,15-,16-,17-,18+,19-/m0/s1", + "name": "4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one", + "names": [ + "4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one", + "4beta,5beta-Epoxytestosterone" + ] + }, + { + "compound_id": "C15287", + "inchi": "InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1", + "name": "11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one", + "names": [ + "11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one" + ] + }, + { + "compound_id": "C15288", + "inchi": "InChI=1S/C19H32O2/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(21)19(14,2)11-15(20)17(13)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1", + "name": "5alpha-Androstane-11beta,17beta-diol", + "names": [ + "5alpha-Androstane-11beta,17beta-diol" + ] + }, + { + "compound_id": "C15289", + "inchi": "InChI=1S/C25H36O5/c1-5-21(27)29-20-14-19-17-8-7-15-13-16(26)9-11-24(15,3)18(17)10-12-25(19,4)23(20)30-22(28)6-2/h13,17-20,23H,5-12,14H2,1-4H3/t17-,18+,19+,20-,23+,24+,25+/m1/s1", + "name": "16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate", + "names": [ + "16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate" + ] + }, + { + "compound_id": "C15290", + "inchi": "InChI=1S/C25H36O5/c1-5-22(27)29-20-14-25(4)15(13-19(20)26)7-8-16-17-9-10-21(30-23(28)6-2)24(17,3)12-11-18(16)25/h13,16-18,20-21H,5-12,14H2,1-4H3/t16-,17-,18-,20+,21-,24-,25-/m0/s1", + "name": "2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate", + "names": [ + "2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate", + "2alpha-Hydroxytestosterone dipropionate" + ] + }, + { + "compound_id": "C15291", + "inchi": "InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1", + "name": "6alpha-Hydroxycortisol", + "names": [ + "6alpha,11beta,17,21-Tetrahydroxypregn-4-ene-3,20-dione", + "6alpha-Hydroxycortisol" + ] + }, + { + "compound_id": "C15292", + "inchi": "InChI=1S/C26H44O/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(27)16-26(19,5)24(21)13-14-25(22,23)4/h17-19,21-24H,6-16H2,1-5H3/t18-,19+,21+,22-,23+,24+,25-,26+/m1/s1", + "name": "A-Nor-5alpha-cholestan-2-one", + "names": [ + "A-Nor-5alpha-cholestan-2-one" + ] + }, + { + "compound_id": "C15293", + "inchi": "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h8,11,14-15,17,21H,3-7,9-10H2,1-2H3/t14-,15-,17-,18-,19-/m0/s1", + "name": "17beta-Hydroxyandrosta-4,9(11)-dien-3-one", + "names": [ + "17beta-Hydroxyandrosta-4,9(11)-dien-3-one", + "9(11)-Dehydrotestosterone" + ] + }, + { + "compound_id": "C15294", + "inchi": "InChI=1S/C34H51N/c1-22(2)10-9-11-23(3)28-16-17-29-26-15-14-24-20-32-27(25-12-7-8-13-31(25)35(32)6)21-34(24,5)30(26)18-19-33(28,29)4/h7-8,12-13,22-24,26,28-30H,9-11,14-21H2,1-6H3/t23-,24+,26+,28-,29+,30+,33-,34+/m1/s1", + "name": "N-Methylindolo[3,2-b]-5alpha-cholest-2-ene", + "names": [ + "1'-Methyl-1'H-5alpha-cholest-2-eno[3,2-b]indole", + "N-Methylindolo[3,2-b]-5alpha-cholest-2-ene" + ] + }, + { + "compound_id": "C15295", + "inchi": "InChI=1S/C19H24O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-16,18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,18+,19+/m1/s1", + "name": "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one", + "names": [ + "16-Oxoestradiol 3-methyl ether", + "17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one" + ] + }, + { + "compound_id": "C15296", + "inchi": "InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+", + "name": "4,4'-Dinitrostilbene", + "names": [ + "4,4'-Dinitrostilbene" + ] + }, + { + "compound_id": "C15297", + "inchi": "InChI=1S/C12H7N3O7/c16-13(17)8-2-1-3-10(6-8)22-12-5-4-9(14(18)19)7-11(12)15(20)21/h1-7H", + "name": "2,4-Dinitro-1-(3-nitrophenoxy)benzene", + "names": [ + "2,4-Dinitro-1-(3-nitrophenoxy)benzene", + "2,4-Dinitro-3'-nitrodiphenyl ether" + ] + }, + { + "compound_id": "C15298", + "inchi": "InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-17,20H,5-12H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1", + "name": "5alpha-Androstan-2-en-17beta-ol", + "names": [ + "17beta-Hydroxy-5alpha-androst-2-ene", + "5alpha-Androstan-2-en-17beta-ol" + ] + }, + { + "compound_id": "C15299", + "inchi": "InChI=1S/C22H32O2/c1-13-11-15-12-16(24)7-9-21(15,3)19-8-10-22(4)17(14(2)23)5-6-18(22)20(13)19/h12-13,17-20H,5-11H2,1-4H3/t13-,17-,18+,19+,20+,21+,22-/m1/s1", + "name": "7alpha-Methyl-4-pregnene-3,20-dione", + "names": [ + "7alpha-Methyl-4-pregnene-3,20-dione", + "7alpha-Methylprogesterone" + ] + }, + { + "compound_id": "C15300", + "inchi": "InChI=1S/C17H17ClO5S/c1-8-5-9(19)6-12(24-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)23-17/h6-8H,5H2,1-4H3", + "name": "Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione", + "names": [ + "Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-methyl-2'-(methylthio)-3,4'-dione" + ] + }, + { + "compound_id": "C15301", + "inchi": "InChI=1S/C22H30O3/c1-12-10-21(3)14(9-18(12)24)5-6-15-17-8-7-16(13(2)23)22(17,4)11-19(25)20(15)21/h9,12,15-17,20H,5-8,10-11H2,1-4H3/t12-,15+,16-,17+,20-,21+,22-/m1/s1", + "name": "2alpha-Methylpregn-4-ene-3,11,20-trione", + "names": [ + "2alpha-Methyl-11-oxoprogesterone", + "2alpha-Methylpregn-4-ene-3,11,20-trione" + ] + }, + { + "compound_id": "C15302", + "inchi": "InChI=1S/C24H34O6/c1-13-10-22(3)15(9-18(13)26)5-6-16-17-7-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22/h9,13,16-17,19,21,27,29H,5-8,10-12H2,1-4H3/t13-,16+,17+,19+,21-,22+,23+,24+/m1/s1", + "name": "11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", + "names": [ + "11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate", + "17-Hydroxy-2alpha-methylcorticosterone 21-acetate", + "2alpha-Methylcortisol acetate" + ] + }, + { + "compound_id": "C15303", + "inchi": "InChI=1S/C21H28O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h7-9,11,16-19,22,24H,3-6,10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1", + "name": "(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one", + "names": [ + "(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one" + ] + }, + { + "compound_id": "C15304", + "inchi": "InChI=1S/C21H30O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,22H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1", + "name": "3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate", + "names": [ + "3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate", + "3beta-Acetoxy-19-hydroxyandrost-5-en-17-one" + ] + }, + { + "compound_id": "C15305", + "inchi": "InChI=1S/C23H31ClO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1", + "name": "9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate", + "names": [ + "9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate", + "9-Chloro-17-hydroxycorticosterone 21-acetate", + "9alpha-Chlorocortisol acetate" + ] + }, + { + "compound_id": "C15306", + "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1", + "name": "11alpha,17beta-Dihydroxyandrost-4-en-3-one", + "names": [ + "11alpha,17beta-Dihydroxyandrost-4-en-3-one", + "11alpha-Hydroxytestosterone" + ] + }, + { + "compound_id": "C15307", + "inchi": "InChI=1S/C20H28O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h6,8,11-12,15-18,22H,4-5,7,9-10H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one", + "names": [ + "1-Dehydro-7alpha-methyltestosterone", + "17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one" + ] + }, + { + "compound_id": "C15308", + "inchi": "InChI=1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1", + "name": "3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one", + "names": [ + "1-Methyl-6-dehydroestrone", + "3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one" + ] + }, + { + "compound_id": "C15309", + "inchi": "InChI=1S/C21H27FO4/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(17(25)11-26-20)19(14,2)10-16(24)21(15,18)22/h9,14-16,24H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1", + "name": "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione", + "names": [ + "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione", + "17,21-Epoxy-9-fluoro-11beta-hydroxyprogesterone" + ] + }, + { + "compound_id": "C15310", + "inchi": "InChI=1S/C23H31FO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1", + "name": "6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate", + "names": [ + "6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate" + ] + }, + { + "compound_id": "C15311", + "inchi": "InChI=1S/C7H13Cl2NO2.ClH/c1-6(7(11)12)10(4-2-8)5-3-9;/h6H,2-5H2,1H3,(H,11,12);1H", + "name": "N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride", + "names": [ + "N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride" + ] + }, + { + "compound_id": "C15312", + "inchi": "InChI=1S/C21H29FO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-18,25H,4-9,11H2,1-3H3/t15-,16+,17+,18+,19-,20+,21+/m1/s1", + "name": "9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione", + "names": [ + "11beta-Hydroxy-9alpha-fluoroprogesterone", + "9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione" + ] + }, + { + "compound_id": "C15313", + "inchi": "InChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19,21H,6-9,11H2,1-3H3/t16-,17-,19+,21+,22+/m1/s1", + "name": "3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one", + "names": [ + "3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one", + "3,17beta-Dihydroxyestra-1,3,5(10)-trien-6-one diacetate", + "6-Oxo-17beta-estradiol diacetate" + ] + }, + { + "compound_id": "C15314", + "inchi": "InChI=1S/C22H32O4/c1-4-19(25)26-18-8-7-16-15-6-5-13-11-14(23)9-10-21(13,2)20(15)17(24)12-22(16,18)3/h11,15-18,20,24H,4-10,12H2,1-3H3/t15-,16-,17-,18-,20+,21-,22-/m0/s1", + "name": "11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate", + "names": [ + "11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate", + "11beta-Hydroxytestosterone 17-propionate" + ] + }, + { + "compound_id": "C15315", + "inchi": "InChI=1S/C19H26O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-17,20-21H,3-8H2,1-2H3/t14-,15+,16+,17+,19+/m1/s1", + "name": "1-Methylestra-1,3,5(10)-triene-3,17beta-diol", + "names": [ + "1-Methylestra-1,3,5(10)-triene-3,17beta-diol", + "1-Methylestradiol" + ] + }, + { + "compound_id": "C15316", + "inchi": "InChI=1S/C20H34O/c1-13-4-5-14-6-7-15-16-8-9-18(21)19(16,2)11-10-17(15)20(14,3)12-13/h13-18,21H,4-12H2,1-3H3/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1", + "name": "5alpha-Androstane-2alpha-methyl-17beta-ol", + "names": [ + "5alpha-Androstane-2alpha-methyl-17beta-ol" + ] + }, + { + "compound_id": "C15317", + "inchi": "InChI=1S/C22H31FO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-19,26H,5-9,11H2,1-4H3/t12-,16+,17+,18+,19-,20+,21+,22+/m1/s1", + "name": "9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione", + "names": [ + "9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C15318", + "inchi": "InChI=1S/C20H30O2/c1-19-10-8-14(21)12-13(19)6-7-15-16-4-3-5-18(22)20(16,2)11-9-17(15)19/h12,15-18,22H,3-11H2,1-2H3/t15-,16-,17-,18-,19-,20-/m0/s1", + "name": "17abeta-Hydroxy-D-homoandrost-4-en-3-one", + "names": [ + "17abeta-Hydroxy-D-homoandrost-4-en-3-one", + "D-Homotestosterone" + ] + }, + { + "compound_id": "C15319", + "inchi": "InChI=1S/C22H29FO5/c1-12-8-16-14-5-7-21(28,18(27)11-24)20(14,3)10-17(26)22(16,23)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,24,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22-/m0/s1", + "name": "9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione", + "names": [ + "9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione", + "9alpha-Fluoro-6alpha-methylprednisolone" + ] + }, + { + "compound_id": "C15320", + "inchi": "InChI=1S/C22H31FO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,25,27H,4-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1", + "name": "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", + "names": [ + "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione", + "21-Fluoro-11beta,17-dihydroxy-6alpha-methylprogesterone" + ] + }, + { + "compound_id": "C15321", + "inchi": "InChI=1S/C22H31FO3/c1-4-20(25)26-19-6-5-15-14-12-18(23)17-11-13(24)7-9-21(17,2)16(14)8-10-22(15,19)3/h11,14-16,18-19H,4-10,12H2,1-3H3/t14-,15-,16-,18-,19-,21+,22-/m0/s1", + "name": "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "names": [ + "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "6alpha-Fluorotestosterone propionate" + ] + }, + { + "compound_id": "C15322", + "inchi": "InChI=1S/C22H32F2O2/c1-12(25)26-19-7-6-15-14-5-4-13-10-17-18(22(17,23)24)11-21(13,3)16(14)8-9-20(15,19)2/h13-19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-/m0/s1", + "name": "2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate", + "names": [ + "2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate" + ] + }, + { + "compound_id": "C15323", + "inchi": "InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-16,20H,3-8H2,1-2H3/t14-,15+,16+,19+/m1/s1", + "name": "3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one", + "names": [ + "1-Methylestrone", + "3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one" + ] + }, + { + "compound_id": "C15324", + "inchi": "InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h13,17-21H,5-12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", + "name": "Androst-4-ene-3beta,17beta-diol diacetate", + "names": [ + "3beta,17beta-Diacetoxyandrost-4-ene", + "Androst-4-ene-3beta,17beta-diol diacetate" + ] + }, + { + "compound_id": "C15325", + "inchi": "InChI=1S/C17H17NO2/c1-17-7-6-11-12-3-2-10(19)8-15(12)18-9-13(11)14(17)4-5-16(17)20/h2-3,8-9,14,19H,4-7H2,1H3/t14-,17-/m0/s1", + "name": "6-Azaequilenin", + "names": [ + "3-Hydroxy-6-azaestra-1,3,5(10),6,8-pentaen-17-one", + "6-Azaequilenin" + ] + }, + { + "compound_id": "C15326", + "inchi": "InChI=1S/C19H30O2/c1-11-9-15-12(10-17(11)20)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h11-16,18,21H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16+,18+,19+/m1/s1", + "name": "17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one", + "names": [ + "17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one" + ] + }, + { + "compound_id": "C15327", + "inchi": "InChI=1S/C21H27FO3/c1-11(23)14-4-5-15-13-9-17(22)16-8-12(24)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17,19H,4-7,9-10H2,1-3H3/t13-,14+,15-,17-,19+,20-,21+/m0/s1", + "name": "6alpha-Fluoropregn-4-ene-3,11,20-trione", + "names": [ + "6alpha-Fluoro-11-oxoprogesterone", + "6alpha-Fluoropregn-4-ene-3,11,20-trione" + ] + }, + { + "compound_id": "C15328", + "inchi": "InChI=1S/C29H33NO3.ClH/c1-5-30(6-2)17-18-33-25-13-9-22(10-14-25)29-27-16-15-26(32-4)19-23(27)20-28(29)21-7-11-24(31-3)12-8-21;/h7-16,19H,5-6,17-18,20H2,1-4H3;1H", + "name": "N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-yl]phenoxy]ethanamine hydrochloride", + "names": [ + "N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-yl]phenoxy]ethanamine hydrochloride" + ] + }, + { + "compound_id": "C15329", + "inchi": "InChI=1S/C22H29FO4/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1", + "name": "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione", + "names": [ + "21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione" + ] + }, + { + "compound_id": "C15330", + "inchi": "InChI=1S/C19H31FO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "3beta-Fluoro-5alpha-androstan-17beta-ol", + "names": [ + "3beta-Fluoro-5alpha-androstan-17beta-ol" + ] + }, + { + "compound_id": "C15331", + "inchi": "InChI=1S/C23H36O3/c1-5-21(25)26-20-7-6-17-16-12-14(2)19-13-15(24)8-10-22(19,3)18(16)9-11-23(17,20)4/h14,16-20H,5-13H2,1-4H3/t14-,16+,17+,18+,19-,20+,22-,23+/m1/s1", + "name": "17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate", + "names": [ + "17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate", + "4,5alpha-Dihydro-6beta-methyltestosterone propionate" + ] + }, + { + "compound_id": "C15332", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13+,14+,17+,18+,19+/m1/s1", + "name": "3beta-Hydroxy-5alpha-androstane-7,17-dione", + "names": [ + "3beta-Hydroxy-5alpha-androstane-7,17-dione" + ] + }, + { + "compound_id": "C15333", + "inchi": "InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3/t15-,16-,17+,19+,21-,22+,23-/m1/s1", + "name": "3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate", + "names": [ + "3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate" + ] + }, + { + "compound_id": "C15334", + "inchi": "InChI=1S/C21H32O2/c1-19(2)16-7-5-13-14-6-8-18(23)21(14,4)11-9-15(13)20(16,3)12-10-17(19)22/h7,13-15,18,23H,5-6,8-12H2,1-4H3/t13-,14-,15-,18-,20+,21-/m0/s1", + "name": "17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one", + "names": [ + "17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one" + ] + }, + { + "compound_id": "C15335", + "inchi": "InChI=1S/C19H28O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13,15-17,20H,4-11H2,1-2H3/t13-,15+,16-,17-,18+,19-/m0/s1", + "name": "3beta-Hydroxy-5-androsten-16-one", + "names": [ + "3beta-Hydroxy-5-androsten-16-one", + "5-Androsten-3beta-ol-16-one" + ] + }, + { + "compound_id": "C15336", + "inchi": "InChI=1S/C28H51N/c1-19(2)9-8-10-20(3)23-12-13-24-22-11-14-26-28(6,17-15-21(4)29(26)7)25(22)16-18-27(23,24)5/h19-26H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-/m1/s1", + "name": "3beta,4-Dimethyl-4-aza-5alpha-cholestane", + "names": [ + "3beta,4-Dimethyl-4-aza-5alpha-cholestane" + ] + }, + { + "compound_id": "C15337", + "inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Allocholesterol", + "names": [ + "3beta-Hydroxycholest-4-ene", + "Allocholesterol", + "Coprostenol" + ] + }, + { + "compound_id": "C15338", + "inchi": "InChI=1S/C20H31FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12,14-16,23-24H,4-11H2,1-3H3/t12-,14-,15-,16-,17-,18-,19-,20-/m0/s1", + "name": "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one", + "names": [ + "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one" + ] + }, + { + "compound_id": "C15339", + "inchi": "InChI=1S/C21H32O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h11,13,15-17,23H,5-10,12H2,1-4H3/t13-,15-,16+,17+,19+,20+,21+/m1/s1", + "name": "17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one", + "names": [ + "17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one", + "2alpha,17-Dimethyltestosterone" + ] + }, + { + "compound_id": "C15340", + "inchi": "InChI=1S/C21H25F3O2/c1-20-9-7-15-14-6-4-13(26-2)11-12(14)3-5-16(15)17(20)8-10-21(20,25)18(22)19(23)24/h4,6,11,15-17,25H,3,5,7-10H2,1-2H3/t15-,16-,17+,20+,21-/m1/s1", + "name": "20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol", + "names": [ + "17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol", + "20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol" + ] + }, + { + "compound_id": "C15341", + "inchi": "InChI=1S/C11H13FN2O4/c12-11(6-17-9(13)15,7-18-10(14)16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,15)(H2,14,16)", + "name": "Fluorofelbamate", + "names": [ + "Fluorofelbamate" + ] + }, + { + "compound_id": "C15342", + "inchi": "InChI=1S/C21H30O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h7,11,13,15,17,23H,5-6,8-10,12H2,1-4H3/t13-,15-,17+,19+,20+,21+/m1/s1", + "name": "17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one", + "names": [ + "17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one", + "9(11)-Dehydro-2alpha,17-dimethyltestosterone" + ] + }, + { + "compound_id": "C15343", + "inchi": "InChI=1S/C26H23N7O4.2ClH/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24;;/h1-10,15H,11-14H2,(H,27,28)(H,29,30)(H,31,34)(H,32,35);2*1H", + "name": "HR1917", + "names": [ + "4',4''-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride", + "HR1917" + ] + }, + { + "compound_id": "C15344", + "inchi": "InChI=1S/C9H13N5/c1-2-3-4-10-8-7-5-13-14-9(7)12-6-11-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)", + "name": "N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine", + "names": [ + "N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine", + "NSC4928" + ] + }, + { + "compound_id": "C15345", + "inchi": "InChI=1S/C24H38O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h6,17-22,25H,3-5,7-15H2,1-2H3/t17-,18-,19-,20-,21-,22+,23-,24-/m0/s1", + "name": "3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol", + "names": [ + "3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol", + "Androst-5-ene-3beta,17beta-diol 3-tetrahydropyranyl ether" + ] + }, + { + "compound_id": "C15346", + "inchi": "InChI=1S/C23H36O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19-,20-,21-,22-,23-/m0/s1", + "name": "5alpha-Androstane-3beta,17beta-diol diacetate", + "names": [ + "3beta,17beta-Diacetoxy-5alpha-androstane", + "5alpha-Androstane-3beta,17beta-diol diacetate" + ] + }, + { + "compound_id": "C15347", + "inchi": "InChI=1S/C8H10N4S/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H,9,10,11,12)", + "name": "6-(Isopropylthio)purine", + "names": [ + "6-(Isopropylthio)purine" + ] + }, + { + "compound_id": "C15348", + "inchi": "InChI=1S/C8H8N4S/c1-2-3-13-8-6-7(10-4-9-6)11-5-12-8/h2,4-5H,1,3H2,(H,9,10,11,12)", + "name": "6-(Allylthio)purine", + "names": [ + "6-(Allylthio)purine" + ] + }, + { + "compound_id": "C15349", + "inchi": "InChI=1S/C20H32O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-17,22-23H,4-11H2,1-3H3/t12-,14-,15-,16-,17+,18-,19-,20-/m0/s1", + "name": "11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one", + "names": [ + "11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one", + "4,5alpha-Dihydro-11beta-hydroxy-17-methyltestosterone" + ] + }, + { + "compound_id": "C15350", + "inchi": "InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-18-15(12-16)6-8-20-19(18)10-11-24(3)14-17(13-21(20)24)28-23(26)5-2/h7,9,12,17,19-21H,4-6,8,10-11,13-14H2,1-3H3/t17-,19-,20-,21+,24-/m1/s1", + "name": "Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate", + "names": [ + "Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate" + ] + }, + { + "compound_id": "C15351", + "inchi": "InChI=1S/C19H26O4/c1-18-7-5-12(20)9-11(18)10-15(21)17-13(18)6-8-19(2)14(17)3-4-16(22)23-19/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17+,18-,19-/m0/s1", + "name": "7alpha-Hydroxytestololactone", + "names": [ + "7alpha-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione", + "7alpha-Hydroxytestololactone" + ] + }, + { + "compound_id": "C15352", + "inchi": "InChI=1S/C20H26Br2O2/c1-19-7-5-11(23)9-16(19)13(18(21)22)10-12-14-3-4-17(24)20(14,2)8-6-15(12)19/h9,12,14-15,17,24H,3-8,10H2,1-2H3/t12-,14-,15-,17-,19+,20-/m0/s1", + "name": "6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one", + "names": [ + "6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one", + "6-(Dibromomethylene)testosterone" + ] + }, + { + "compound_id": "C15353", + "inchi": "InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1", + "name": "17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one", + "names": [ + "17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one", + "17alpha-Methyl-6,7-dehydrotestosterone" + ] + }, + { + "compound_id": "C15354", + "inchi": "InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-15,17,23H,4-11H2,1-3H3/t12-,14-,15-,17+,18-,19-,20-/m0/s1", + "name": "17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione", + "names": [ + "17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione" + ] + }, + { + "compound_id": "C15355", + "inchi": "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18-,19-,20+,21-/m1/s1", + "name": "11alpha-Hydroxy-5beta-pregnane-3,20-dione", + "names": [ + "11alpha-Hydroxy-5beta-pregnane-3,20-dione" + ] + }, + { + "compound_id": "C15356", + "inchi": "InChI=1S/C19H33NO/c1-18-10-4-3-5-12(18)6-7-13-14-8-9-16(20)19(14,2)11-15(21)17(13)18/h12-17,21H,3-11,20H2,1-2H3/t12-,13+,14+,15+,16+,17-,18+,19+/m1/s1", + "name": "17beta-Amino-5alpha-androstan-11beta-ol", + "names": [ + "17beta-Amino-5alpha-androstan-11beta-ol" + ] + }, + { + "compound_id": "C15357", + "inchi": "InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25?,26+,27-/m1/s1", + "name": "Cholesta-3,5-dien-7-one", + "names": [ + "Cholesta-3,5-dien-7-one" + ] + }, + { + "compound_id": "C15358", + "inchi": "InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1", + "name": "4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one", + "names": [ + "4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one", + "4-Chloro-17alpha-methyltestosterone" + ] + }, + { + "compound_id": "C15359", + "inchi": "InChI=1S/C23H30Br2O3/c1-4-20(27)28-19-6-5-16-14-12-15(21(24)25)18-11-13(26)7-9-22(18,2)17(14)8-10-23(16,19)3/h11,14,16-17,19H,4-10,12H2,1-3H3/t14-,16-,17-,19-,22+,23-/m0/s1", + "name": "6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate", + "names": [ + "6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate" + ] + }, + { + "compound_id": "C15360", + "inchi": "InChI=1S/C16H19NO3.ClH/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12;/h3-10,15-16,18H,17H2,1-2H3;1H", + "name": "Evadol hydrochloride", + "names": [ + "2-Amino-1,2-bis(p-methoxyphenyl)ethanol hydrochloride", + "Evadol hydrochloride", + "beta-Amino-4-methoxy-alpha-(4-methoxyphenyl)benzeneethanol hydrochloride" + ] + }, + { + "compound_id": "C15361", + "inchi": "InChI=1S/C21H27FO5/c1-11(23)21(27)16(25)9-15-14-5-4-12-8-13(24)6-7-18(12,2)20(14,22)17(26)10-19(15,21)3/h6-8,14-17,25-27H,4-5,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21+/m0/s1", + "name": "Descinolone", + "names": [ + "9-Fluoro-11beta,16alpha,17-trihydroxypregna-1,4-diene-3,20-dione", + "Descinolone" + ] + }, + { + "compound_id": "C15362", + "inchi": "InChI=1S/C18H21NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1", + "name": "4-Nitroestrone", + "names": [ + "3-Hydroxy-4-nitroestra-1,3,5(10)-trien-17-one", + "4-Nitroestrone" + ] + }, + { + "compound_id": "C15363", + "inchi": "InChI=1S/C21H30O4/c1-11(22)14-4-5-15-13-9-17(24)16-8-12(23)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17-19,24-25H,4-7,9-10H2,1-3H3/t13-,14+,15-,17+,18+,19+,20-,21+/m0/s1", + "name": "6beta,11alpha-Dihydroxyprogesterone", + "names": [ + "6beta,11alpha-Dihydroxypregn-4-ene-3,20-dione", + "6beta,11alpha-Dihydroxyprogesterone" + ] + }, + { + "compound_id": "C15364", + "inchi": "InChI=1S/C21H30O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19-,20+,21-/m1/s1", + "name": "15alpha-Hydroxyprogesterone", + "names": [ + "15alpha-Hydroxypregn-4-ene-3,20-dione", + "15alpha-Hydroxyprogesterone" + ] + }, + { + "compound_id": "C15365", + "inchi": "InChI=1S/C21H30O4/c1-20-7-5-13(23)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-17(24)19(21)18(25)11-22/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16+,17-,19-,20+,21+/m1/s1", + "name": "4-Pregnene-16alpha,21-diol-3,20-dione", + "names": [ + "16alpha,21-Dihydroxypregn-4-ene-3,20-dione", + "4-Pregnene-16alpha,21-diol-3,20-dione" + ] + }, + { + "compound_id": "C15366", + "inchi": "InChI=1S/C18H21NO3/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19-22)17(18)21/h3,5,8,13-15,20,22H,2,4,6-7,9H2,1H3/b19-16+/t13-,14-,15+,18+/m1/s1", + "name": "Estrone 16-oxime", + "names": [ + "3-Hydroxyestra-1,3,5(10)-triene-16,17-dione 16-oxime", + "Estrone 16-oxime" + ] + }, + { + "compound_id": "C15367", + "inchi": "InChI=1S/C20H32O2/c1-19-8-7-17-16(18(19)11-14(21)12-19)5-4-13-10-15(22-3)6-9-20(13,17)2/h4,14-18,21H,5-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-/m0/s1", + "name": "3beta-Methoxyandrost-5-en-16beta-ol", + "names": [ + "3beta-Methoxyandrost-5-en-16beta-ol" + ] + }, + { + "compound_id": "C15368", + "inchi": "InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1", + "name": "5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one", + "names": [ + "(3alpha,5beta,20S)-3,17,20-Trihydroxypregnan-11-one", + "5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one", + "Pregnanetriolone" + ] + }, + { + "compound_id": "C15369", + "inchi": "InChI=1S/C22H31FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17,19,26H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,19+,20-,21+,22+/m1/s1", + "name": "9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione", + "names": [ + "9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione", + "9alpha-Fluoro-11beta-hydroxy-2alpha-methylprogesterone" + ] + }, + { + "compound_id": "C15370", + "inchi": "InChI=1S/C26H31NO/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17-13-16-5-3-4-6-23(16)27-24(17)26/h3-7,13,19-22,28H,8-12,14-15H2,1-2H3/t19-,20+,21-,22-,25-,26-/m0/s1", + "name": "Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol", + "names": [ + "16,17-(3',2'-Quinolino)androst-5-en-3beta-ol", + "Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol" + ] + }, + { + "compound_id": "C15371", + "inchi": "InChI=1S/C20H27BrO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3/t14-,15-,17-,18-,19-,20-/m0/s1", + "name": "9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione", + "names": [ + "9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione" + ] + }, + { + "compound_id": "C15372", + "inchi": "InChI=1S/C23H32O5/c1-13(24)27-19-12-23(4)18(7-8-20(23)28-14(2)25)17-6-5-15-11-16(26)9-10-22(15,3)21(17)19/h11,17-21H,5-10,12H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-/m0/s1", + "name": "11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate", + "names": [ + "11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate", + "11alpha-Hydroxytestosterone diacetate" + ] + }, + { + "compound_id": "C15373", + "inchi": "InChI=1S/C22H36O2/c1-4-20(23)24-19-11-10-17-16-9-8-15-7-5-6-13-21(15,2)18(16)12-14-22(17,19)3/h15-19H,4-14H2,1-3H3/t15-,16+,17+,18+,19+,21+,22+/m1/s1", + "name": "5alpha-Androstan-17beta-ol propionate", + "names": [ + "5alpha-Androstan-17beta-ol propionate" + ] + }, + { + "compound_id": "C15374", + "inchi": "InChI=1S/C23H34O3/c1-5-20(25)26-19-7-6-17-21-14(2)12-15-13-16(24)8-10-22(15,3)18(21)9-11-23(17,19)4/h13-14,17-19,21H,5-12H2,1-4H3/t14-,17+,18+,19+,21+,22+,23+/m1/s1", + "name": "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate", + "names": [ + "17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate", + "7alpha-Methyltestosterone propionate" + ] + }, + { + "compound_id": "C15375", + "inchi": "InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1", + "name": "Apocholic acid", + "names": [ + "3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid", + "Apocholic acid" + ] + }, + { + "compound_id": "C15376", + "inchi": "InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1", + "name": "17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol", + "names": [ + "17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol" + ] + }, + { + "compound_id": "C15377", + "inchi": "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "17beta-Hydroxy-5alpha-androst-1-en-3-one", + "names": [ + "17beta-Hydroxy-5alpha-androst-1-en-3-one" + ] + }, + { + "compound_id": "C15378", + "inchi": "InChI=1S/C26H44O/c1-17(2)7-6-8-18(3)22-9-10-23-21-16-19-15-20(27)11-13-25(19,4)24(21)12-14-26(22,23)5/h16-18,20-24,27H,6-15H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1", + "name": "B-Norcholesterol", + "names": [ + "3beta-Hydroxy-B-norcholest-5-ene", + "B-Norcholesterol" + ] + }, + { + "compound_id": "C15379", + "inchi": "InChI=1S/C32H52O4/c1-19(2)11-10-12-20(3)22-13-16-31(8)28-23(34)17-25-29(5,6)26(36-21(4)33)14-15-30(25,7)27(28)24(35)18-32(22,31)9/h19-20,22,25-28H,10-18H2,1-9H3/t20-,22-,25+,26+,27+,28-,30+,31+,32-/m1/s1", + "name": "3beta-Hydroxylanostane-7,11-dione acetate", + "names": [ + "3beta-Hydroxylanostane-7,11-dione acetate" + ] + }, + { + "compound_id": "C15380", + "inchi": "InChI=1S/C21H29FO4/c1-11(23)18-16(25)9-15-14-5-4-12-8-13(24)6-7-20(12,3)21(14,22)17(26)10-19(15,18)2/h8,14-18,25-26H,4-7,9-10H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1", + "name": "9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione", + "names": [ + "9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione" + ] + }, + { + "compound_id": "C15381", + "inchi": "InChI=1S/C21H28F2O3/c1-11(24)13-4-5-14-15-9-17(22)16-8-12(25)6-7-20(16,3)21(15,23)18(26)10-19(13,14)2/h8,13-15,17-18,26H,4-7,9-10H2,1-3H3/t13-,14+,15+,17+,18+,19-,20+,21+/m1/s1", + "name": "6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione", + "names": [ + "6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione", + "6alpha,9-Difluoro-11beta-hydroxyprogesterone" + ] + }, + { + "compound_id": "C15382", + "inchi": "InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3/t18-,19-,21+,22+,23+,24+/m1/s1", + "name": "Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate", + "names": [ + "Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate" + ] + }, + { + "compound_id": "C15383", + "inchi": "InChI=1S/C9H9N5O/c10-8(15)12-9-11-7(13-14-9)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)", + "name": "(5-Phenyl-1,2,4-triazol-3-yl)urea", + "names": [ + "(5-Phenyl-1,2,4-triazol-3-yl)urea", + "3-Phenyl-5-ureido-1,2,4-triazole" + ] + }, + { + "compound_id": "C15384", + "inchi": "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,19+,20+,21-/m1/s1", + "name": "12alpha-Hydroxy-5beta-pregnane-3,20-dione", + "names": [ + "12alpha-Hydroxy-5beta-pregnane-3,20-dione" + ] + }, + { + "compound_id": "C15385", + "inchi": "InChI=1S/C18H24O3/c1-17-10-12(19)9-11(17)3-4-13-14(17)7-8-18(2)15(13)5-6-16(20)21-18/h9,13-15H,3-8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1", + "name": "D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione", + "names": [ + "A-Nortestololactone", + "D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione" + ] + }, + { + "compound_id": "C15386", + "inchi": "InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h3-4,11,14-16H,5-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1", + "name": "D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione", + "names": [ + "D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione" + ] + }, + { + "compound_id": "C15387", + "inchi": "InChI=1S/C19H21FO4/c1-17-8-7-12(21)9-11(17)3-4-14-13-5-6-16(23)24-18(13,2)10-15(22)19(14,17)20/h7-9,13-14H,3-6,10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1", + "name": "1-Dehydro-9-fluoro-11-oxotestololactone", + "names": [ + "1-Dehydro-9-fluoro-11-oxotestololactone" + ] + }, + { + "compound_id": "C15388", + "inchi": "InChI=1S/C21H28O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h4,6,8,13,17-19,22H,1,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1", + "name": "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol", + "names": [ + "17-Vinylestradiol 3-methyl ether", + "3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol" + ] + }, + { + "compound_id": "C15389", + "inchi": "InChI=1S/C16H16N4.2ClH/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20;;/h1-10H,(H3,17,18)(H3,19,20);2*1H/b2-1+;;", + "name": "4,4'-Stilbenedicarboxamidine dihydrochloride", + "names": [ + "4,4'-Stilbenedicarboxamidine dihydrochloride", + "Stilbamidine dihydrochloride" + ] + }, + { + "compound_id": "C15390", + "inchi": "InChI=1S/C19H26O3S2/c1-17-7-6-14-12(13(17)3-4-16(21)22-17)5-8-19-10-11(20)9-15(23-24-19)18(14,19)2/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15-,17-,18-,19+/m0/s1", + "name": "1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione", + "names": [ + "1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione" + ] + }, + { + "compound_id": "C15391", + "inchi": "InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18+,19+,20+,21-/m1/s1", + "name": "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one", + "names": [ + "3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one" + ] + }, + { + "compound_id": "C15392", + "inchi": "InChI=1S/C14H11Cl3/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13-14H", + "name": "1-Chloro-4-(2,2-dichloro-1-phenylethyl)benzene", + "names": [ + "1,1-Dichloro-2-(p-chlorophenyl)-2-phenylethane", + "1-Chloro-4-(2,2-dichloro-1-phenylethyl)benzene" + ] + }, + { + "compound_id": "C15393", + "inchi": "InChI=1S/C13H11ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H", + "name": "2-Chlorobenzhydrol", + "names": [ + "2-Chlorobenzhydrol" + ] + }, + { + "compound_id": "C15394", + "inchi": "InChI=1S/C15H8F3NO3/c16-15(17,18)14(21)19-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(20)22-12/h1-7H,(H,19,21)", + "name": "2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide", + "names": [ + "2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide", + "6-(2,2,2-Trifluoroacetamide)-3,4-benzocoumarin" + ] + }, + { + "compound_id": "C15395", + "inchi": "InChI=1S/C19H28O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h13-16,18,21H,3-10H2,1-2H3/t13-,14+,15+,16-,18-,19-/m0/s1", + "name": "17beta-Hydroxy-4-methylestr-4-en-3-one", + "names": [ + "17beta-Hydroxy-4-methylestr-4-en-3-one", + "4-Methyl-19-nortestosterone" + ] + }, + { + "compound_id": "C15396", + "inchi": "InChI=1S/C19H29ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1", + "name": "3beta-Chloro-5-androsten-17beta-ol", + "names": [ + "3beta-Chloro-5-androsten-17beta-ol" + ] + }, + { + "compound_id": "C15397", + "inchi": "InChI=1S/C8H7ClN4S/c1-5(9)2-14-8-6-7(11-3-10-6)12-4-13-8/h3-4H,1-2H2,(H,10,11,12,13)", + "name": "6-(2-Chloroallylthio)purine", + "names": [ + "6-(2-Chloroallylthio)purine" + ] + }, + { + "compound_id": "C15398", + "inchi": "InChI=1S/C24H46O2/c1-5-7-9-11-13-15-17-19-23(3,25)21-22-24(4,26)20-18-16-14-12-10-8-6-2/h25-26H,5-20H2,1-4H3", + "name": "10,13-Dimethyl-11-docosyne-10,13-diol", + "names": [ + "10,13-Dimethyl-11-docosyne-10,13-diol" + ] + }, + { + "compound_id": "C15399", + "inchi": "InChI=1S/C20H34O2/c1-18-10-5-4-6-13(18)7-8-14-15-9-11-20(3,22)19(15,2)12-16(21)17(14)18/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18+,19+,20+/m1/s1", + "name": "17-Methyl-5alpha-androstane-11beta,17beta-diol", + "names": [ + "17-Methyl-5alpha-androstane-11beta,17beta-diol" + ] + }, + { + "compound_id": "C15400", + "inchi": "InChI=1S/C20H29ClO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1", + "name": "9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one", + "names": [ + "9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one", + "9-Chloro-11beta-hydroxy-17-methyltestosterone" + ] + }, + { + "compound_id": "C15401", + "inchi": "InChI=1S/C21H32O3/c1-12-14-6-5-13-15-7-10-21(4,24)20(15,3)11-17(23)18(13)19(14,2)9-8-16(12)22/h13,15,17-18,23-24H,5-11H2,1-4H3/t13-,15-,17-,18+,19-,20-,21-/m0/s1", + "name": "11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one", + "names": [ + "11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one", + "11beta-Hydroxy-4,17-dimethyltestosterone" + ] + }, + { + "compound_id": "C15402", + "inchi": "InChI=1S/C21H30O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h5,8,12-13,16-18,23H,6-7,9-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1", + "name": "17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one", + "names": [ + "1-Dehydro-7alpha,17-dimethyltestosterone", + "17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one" + ] + }, + { + "compound_id": "C15403", + "inchi": "InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1", + "name": "3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one", + "names": [ + "3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one", + "Tetrahydro-21-deoxycortisol" + ] + }, + { + "compound_id": "C15404", + "inchi": "InChI=1S/C23H34O5/c1-13(24)23(27)10-8-18-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)20(17)19(26)12-22(18,23)4/h15-18,20,27H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,21-,22-,23-/m0/s1", + "name": "3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate", + "names": [ + "3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate" + ] + }, + { + "compound_id": "C15405", + "inchi": "InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1", + "name": "17beta-Carbomethoxyandrost-5-en-3beta-ol", + "names": [ + "17beta-Carbomethoxyandrost-5-en-3beta-ol", + "3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester" + ] + }, + { + "compound_id": "C15406", + "inchi": "InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3/t11-,13-,14-,17+,18-,19-/m0/s1", + "name": "5alpha-Androst-1-ene-3,11,17-trione", + "names": [ + "5alpha-Androst-1-ene-3,11,17-trione" + ] + }, + { + "compound_id": "C15407", + "inchi": "InChI=1S/C20H27ClO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-15,24H,4-9,11H2,1-3H3/t14-,15-,17-,18-,19-,20-/m0/s1", + "name": "9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione", + "names": [ + "9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione" + ] + }, + { + "compound_id": "C15408", + "inchi": "InChI=1S/C22H31FO3/c1-4-20(25)26-19-8-7-15-14-6-5-13-11-18(24)17(23)12-22(13,3)16(14)9-10-21(15,19)2/h11,14-17,19H,4-10,12H2,1-3H3/t14-,15-,16-,17+,19-,21-,22-/m0/s1", + "name": "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "names": [ + "2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "2alpha-Fluorotestosterone propionate" + ] + }, + { + "compound_id": "C15409", + "inchi": "InChI=1S/C21H30O3/c1-4-19(23)24-18-8-7-16-15-6-5-13-11-14(22)12-21(13,3)17(15)9-10-20(16,18)2/h11,15-18H,4-10,12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1", + "name": "17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate", + "names": [ + "17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate" + ] + }, + { + "compound_id": "C15410", + "inchi": "InChI=1S/C14H12Cl2/c1-10(11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)16/h2-10H,1H3", + "name": "1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane", + "names": [ + "1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane", + "1-Chloro-2-[1-(4-chlorophenyl)ethyl]benzene" + ] + }, + { + "compound_id": "C15411", + "inchi": "InChI=1S/C14H14ClN.ClH/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10,13-14H,16H2;1H", + "name": "beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride", + "names": [ + "2-Chloro-1,2-diphenylethylamine hydrochloride", + "beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride" + ] + }, + { + "compound_id": "C15412", + "inchi": "InChI=1S/C20H30O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h13,15-16,18,22H,4-11H2,1-3H3/t13-,15-,16-,18-,19-,20-/m0/s1", + "name": "17beta-Hydroxy-4-methylandrost-4-en-3-one", + "names": [ + "17beta-Hydroxy-4-methylandrost-4-en-3-one", + "4-Methyltestosterone" + ] + }, + { + "compound_id": "C15413", + "inchi": "InChI=1S/C22H34O2/c1-19(2)17-7-6-14-15(20(17,3)11-10-18(19)23)8-12-21(4)16(14)9-13-22(21,5)24/h7,14-16,24H,6,8-13H2,1-5H3/t14-,15+,16+,20-,21+,22+/m1/s1", + "name": "17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one", + "names": [ + "17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one" + ] + }, + { + "compound_id": "C15414", + "inchi": "InChI=1S/C21H29FO3/c1-12(23)25-19-5-4-15-14-11-18(22)17-10-13(24)6-8-20(17,2)16(14)7-9-21(15,19)3/h10,14-16,18-19H,4-9,11H2,1-3H3/t14-,15-,16-,18-,19-,20+,21-/m0/s1", + "name": "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate", + "names": [ + "6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate", + "6alpha-Fluorotestosterone acetate" + ] + }, + { + "compound_id": "C15415", + "inchi": "InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)", + "name": "1-Phenyl-5-mercaptotetrazole", + "names": [ + "1-Phenyl-5-mercaptotetrazole", + "1-Phenyltetrazole-5-thiol" + ] + }, + { + "compound_id": "C15416", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-15,17,22H,3-10H2,1-2H3/t12-,13-,14-,15+,17-,18+,19-/m0/s1", + "name": "17beta-Hydroxy-5alpha-androstan-3,6-dione", + "names": [ + "17beta-Hydroxy-5alpha-androstan-3,6-dione", + "6-Ketodihydrotestosterone" + ] + }, + { + "compound_id": "C15417", + "inchi": "InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1", + "name": "3beta-Hydroxy-5alpha-pregnan-20-one acetate", + "names": [ + "3beta-Acetoxy-5alpha-pregnan-20-one", + "3beta-Hydroxy-5alpha-pregnan-20-one acetate" + ] + }, + { + "compound_id": "C15418", + "inchi": "InChI=1S/C10H13N3O2/c1-7(8-5-3-2-4-6-8)12-9(14)10(15)13-11/h2-7H,11H2,1H3,(H,12,14)(H,13,15)", + "name": "5-(alpha-Phenylethyl)semioxamazide", + "names": [ + "5-(alpha-Methylbenzyl)semioxamazide", + "5-(alpha-Phenylethyl)semioxamazide" + ] + }, + { + "compound_id": "C15419", + "inchi": "InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m0/s1", + "name": "trans-2-Phenylcyclopropanecarboxylic acid", + "names": [ + "trans-2-Phenylcyclopropanecarboxylic acid" + ] + }, + { + "compound_id": "C15420", + "inchi": "InChI=1S/C21H32O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h4-5,15-19H,6-13H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1", + "name": "5alpha-Pregn-2-en-20-one", + "names": [ + "5alpha-Pregn-2-en-20-one" + ] + }, + { + "compound_id": "C15421", + "inchi": "InChI=1S/C22H34O2/c1-14-5-6-16-7-8-17-18-9-10-20(24-15(2)23)21(18,3)12-11-19(17)22(16,4)13-14/h5,16-20H,6-13H2,1-4H3/t16-,17+,18+,19+,20+,21+,22+/m1/s1", + "name": "2-Methyl-5alpha-androst-2-en-17beta-ol acetate", + "names": [ + "2-Methyl-5alpha-androst-2-en-17beta-ol acetate" + ] + }, + { + "compound_id": "C15422", + "inchi": "InChI=1S/C25H40O3/c1-16-15-25(3)17(14-21(16)26)7-8-18-19-9-10-22(24(19,2)12-11-20(18)25)28-23-6-4-5-13-27-23/h16-20,22-23H,4-15H2,1-3H3/t16-,17+,18+,19+,20+,22+,23+,24+,25+/m1/s1", + "name": "2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-androstan-3-one", + "names": [ + "2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-androstan-3-one" + ] + }, + { + "compound_id": "C15423", + "inchi": "InChI=1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h13,17-21H,5-12H2,1-4H3/t17-,18+,19+,20+,21+,22+,23+/m1/s1", + "name": "Androst-4-ene-3alpha,17beta-diol diacetate", + "names": [ + "3alpha,17beta-Diacetoxyandrost-4-ene", + "Androst-4-ene-3alpha,17beta-diol diacetate" + ] + }, + { + "compound_id": "C15424", + "inchi": "InChI=1S/C18H25O5P/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,17+,18+/m1/s1", + "name": "Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate", + "names": [ + "17beta-Estradiol 3-phosphate", + "Estra-1,3,5(10)-triene-3,17beta-diol 3-(dihydrogen phosphate)", + "Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate" + ] + }, + { + "compound_id": "C15425", + "inchi": "InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1", + "name": "21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate", + "names": [ + "11-Deoxycorticosterone hydrogen succinate", + "21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione", + "21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate" + ] + }, + { + "compound_id": "C15426", + "inchi": "InChI=1S/C6H10O2.2Hg.2HI/c1-5-3-8-6(2)4-7-5;;;;/h5-6H,1-4H2;;;2*1H/q;2*+1;;/p-2", + "name": "2,5-Bis[(iodomercuri)methyl]-p-dioxane", + "names": [ + "2,5-Bis[(iodomercuri)methyl]-p-dioxane" + ] + }, + { + "compound_id": "C15427", + "inchi": "InChI=1S/C14H13Cl2NO/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14,18H,17H2", + "name": "2-Amino-1,2-bis(p-chlorophenyl)ethanol", + "names": [ + "2-Amino-1,2-bis(p-chlorophenyl)ethanol" + ] + }, + { + "compound_id": "C15428", + "inchi": "InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38?,39+,40-,41?,42+,44+,45+,46-,47-,48+/m1/s1", + "name": "Asiaticoside", + "names": [ + "Asiaticoside", + "Madecassol" + ] + }, + { + "compound_id": "C15429", + "inchi": "InChI=1S/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-17,22,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,22+,23-,24-,25-/m0/s1", + "name": "17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)", + "names": [ + "17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)", + "21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-3,11,20-trione", + "Cortisone 21-succinate" + ] + }, + { + "compound_id": "C15430", + "inchi": "InChI=1S/C20H25NO4/c1-20-9-8-15-14-5-3-13(22)10-12(14)2-4-16(15)17(20)6-7-18(20)21-25-11-19(23)24/h3,5,10,15-17,22H,2,4,6-9,11H2,1H3,(H,23,24)/b21-18+/t15-,16-,17+,20+/m1/s1", + "name": "3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime", + "names": [ + "3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime", + "Estrone 17-O-carboxymethyloxime" + ] + }, + { + "compound_id": "C15431", + "inchi": "InChI=1S/C21H32O/c1-4-21(22)14-11-18-16-9-8-15-7-5-6-12-19(15,2)17(16)10-13-20(18,21)3/h1,15-18,22H,5-14H2,2-3H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1", + "name": "17-Ethynyl-5alpha-androstan-17beta-ol", + "names": [ + "17-Ethynyl-5alpha-androstan-17beta-ol", + "5alpha,17alpha-Pregn-20-yn-17beta-ol" + ] + }, + { + "compound_id": "C15432", + "inchi": "InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1", + "name": "Flurogestone acetate", + "names": [ + "9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 17-acetate", + "9alpha-Fluoro-11-hydroxy,17alpha-acetoxyprogesterone", + "Flurogestone acetate" + ] + }, + { + "compound_id": "C15433", + "inchi": "InChI=1S/C17H9NO4/c19-15-7-8-16(20)18(15)10-5-6-12-11-3-1-2-4-13(11)17(21)22-14(12)9-10/h1-9H", + "name": "1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione", + "names": [ + "1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione" + ] + }, + { + "compound_id": "C15434", + "inchi": "InChI=1S/C20H30O3/c1-11-18(23)17-14(15-6-7-16(22)20(11,15)3)5-4-12-10-13(21)8-9-19(12,17)2/h10-11,14-18,22-23H,4-9H2,1-3H3/t11-,14-,15-,16-,17+,18-,19-,20-/m0/s1", + "name": "11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one", + "names": [ + "11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one", + "11beta-Hydroxy-12alpha-methyltestosterone" + ] + }, + { + "compound_id": "C15435", + "inchi": "InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;", + "name": "Fenbutatin oxide", + "names": [ + "Bis[tris(2-methyl-2-phenylpropyl)tin]oxide", + "Fenbutatin oxide" + ] + }, + { + "compound_id": "C15436", + "inchi": "InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1", + "name": "Didecyldimethylammonium chloride", + "names": [ + "Didecyldimethylammonium chloride", + "N-Decyl-N,N-dimethyl-1-decanaminium chloride" + ] + }, + { + "compound_id": "C15437", + "inchi": "InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2", + "name": "1,3,5-Triphenylcyclohexane", + "names": [ + "1,3,5-Triphenylcyclohexane" + ] + }, + { + "compound_id": "C15438", + "inchi": "InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3", + "name": "Bis(2-butoxyethyl)phthalate", + "names": [ + "Bis(2-butoxyethyl)phthalate", + "beta-Butoxyethyl phthalate" + ] + }, + { + "compound_id": "C15439", + "inchi": "InChI=1S/C12H15O6P/c1-10(2)12(13)16-8-9-17-19(14,15)18-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,14,15)", + "name": "2-Methacryloyloxyethyl phenyl phosphate", + "names": [ + "2-Methacryloyloxyethyl phenyl phosphate", + "Phenyl-P" + ] + }, + { + "compound_id": "C15440", + "inchi": "InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3/t18-,19-,21+,22-,23+,24+/m1/s1", + "name": "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate", + "names": [ + "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate" + ] + }, + { + "compound_id": "C15441", + "inchi": "InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1", + "name": "Cholesteryl linoleate", + "names": [ + "(Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate", + "Cholesteryl linoleate" + ] + }, + { + "compound_id": "C15442", + "inchi": "InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15+,16-,17-,18+,19-/m0/s1", + "name": "5-Androstene-3beta,16beta-diol", + "names": [ + "5-Androstene-3beta,16beta-diol" + ] + }, + { + "compound_id": "C15443", + "inchi": "InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19+,20+,21+/m1/s1", + "name": "3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol", + "names": [ + "3-(2-Propenyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol", + "3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol" + ] + }, + { + "compound_id": "C15444", + "inchi": "InChI=1S/C20H31FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12,14-16,23-24H,4-11H2,1-3H3/t12-,14+,15+,16+,17+,18+,19+,20+/m1/s1", + "name": "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one", + "names": [ + "11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one" + ] + }, + { + "compound_id": "C15445", + "inchi": "InChI=1S/C33H49N/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-31-26(24-11-6-7-12-30(24)34-31)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29,34H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1", + "name": "1'H-5alpha-Cholest-2-eno[3,2-b]indole", + "names": [ + "1'H-5alpha-Cholest-2-eno[3,2-b]indole" + ] + }, + { + "compound_id": "C15446", + "inchi": "InChI=1S/C22H31FO3/c1-4-20(25)26-19-6-5-15-14-12-18(23)17-11-13(24)7-9-21(17,2)16(14)8-10-22(15,19)3/h11,14-16,18-19H,4-10,12H2,1-3H3/t14-,15-,16-,18+,19-,21+,22-/m0/s1", + "name": "6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "names": [ + "6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "6beta-Fluorotestosterone propionate" + ] + }, + { + "compound_id": "C15447", + "inchi": "InChI=1S/C22H31FO3/c1-4-19(25)26-20-18(23)12-17-15-6-5-13-11-14(24)7-9-21(13,2)16(15)8-10-22(17,20)3/h11,15-18,20H,4-10,12H2,1-3H3/t15-,16+,17+,18-,20+,21+,22+/m1/s1", + "name": "16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "names": [ + "16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate", + "16alpha-Fluorotestosterone propionate" + ] + }, + { + "compound_id": "C15448", + "inchi": null, + "name": "Urethane dimethacrylate", + "names": [ + "UDMA", + "Urethane dimethacrylate" + ] + }, + { + "compound_id": "C15449", + "inchi": "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m0/s1", + "name": "trans-1,2-Diphenylcyclobutane", + "names": [ + "trans-1,2-Diphenylcyclobutane" + ] + }, + { + "compound_id": "C15450", + "inchi": "InChI=1S/C20H34O4.Na/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24;/h7,9-10,12,16-19,21-22H,2-6,8,11,13-15H2,1H3,(H,23,24);/q;+1/p-1/b10-7-,12-9+;/t16-,17-,18-,19+;/m1./s1", + "name": "S 1033", + "names": [ + "(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt", + "S 1033" + ] + }, + { + "compound_id": "C15451", + "inchi": "InChI=1S/C16H22O7/c1-8(2)9-4-3-5-10(18)11(6-9)22-16-15(21)14(20)13(19)12(7-17)23-16/h3-6,8,12-17,19-21H,7H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1", + "name": "Hinokitiol glucoside", + "names": [ + "Hinokitiol glucoside", + "beta-Thujaplicin 2-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C15452", + "inchi": "InChI=1S/C14H14N2.2ClH/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;;/h1-10H,15-16H2;2*1H/b2-1+;;", + "name": "4,4'-Diaminostilbene dihydrochloride", + "names": [ + "4,4'-Diaminostilbene dihydrochloride" + ] + }, + { + "compound_id": "C15453", + "inchi": "InChI=1S/C19H22O3/c1-4-17-16-7-5-12-11-13(22-3)6-8-14(12)15(16)9-10-19(17,2)18(20)21/h5-8,11,17H,4,9-10H2,1-3H3,(H,20,21)/t17-,19+/m0/s1", + "name": "Doisynoestrol", + "names": [ + "Doisynoestrol", + "cis-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid" + ] + }, + { + "compound_id": "C15454", + "inchi": "InChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m1/s1", + "name": "Hexestrol monomethyl ether", + "names": [ + "(R*,S*)-4-[1-Ethyl-2-(4-methoxyphenyl)butyl]phenol", + "Hexestrol monomethyl ether" + ] + }, + { + "compound_id": "C15455", + "inchi": "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1", + "name": "Sodium molybdate", + "names": [ + "Sodium molybdate", + "Sodium molybdate(VI)" + ] + }, + { + "compound_id": "C15456", + "inchi": "InChI=1S/C19H24O4/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)23-19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1", + "name": "11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone", + "names": [ + "11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone" + ] + }, + { + "compound_id": "C15457", + "inchi": "InChI=1S/C15H13NO4/c1-19-13-8-4-11(5-9-13)15-14(20-15)10-2-6-12(7-3-10)16(17)18/h2-9,14-15H,1H3/t14-,15-/m0/s1", + "name": "trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane", + "names": [ + "trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane", + "trans-4-Methoxy-4'-nitrostilbene oxide" + ] + }, + { + "compound_id": "C15458", + "inchi": "InChI=1S/C22H23NO2/c1-3-22(24,18-12-14-19(25-2)15-13-18)21(17-9-5-4-6-10-17)20-11-7-8-16-23-20/h4-16,21,24H,3H2,1-2H3/t21-,22+/m0/s1", + "name": "(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol", + "names": [ + "(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol" + ] + }, + { + "compound_id": "C15459", + "inchi": "InChI=1S/C20H28O4/c1-19-10-12(11-21)17(22)9-13(19)3-4-14-15(19)7-8-20(2)16(14)5-6-18(23)24-20/h11,13-16,21H,3-10H2,1-2H3/b12-11-/t13-,14+,15-,16-,19-,20-/m0/s1", + "name": "13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone", + "names": [ + "13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone" + ] + }, + { + "compound_id": "C15460", + "inchi": "InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h7,13,15,17,22H,4-6,8-12H2,1-3H3/t13-,15+,17-,18-,19-,20-/m0/s1", + "name": "17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one", + "names": [ + "17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one" + ] + }, + { + "compound_id": "C15461", + "inchi": "InChI=1S/C27H32O6/c1-14(28)17-5-6-18-24(17,3)9-8-19-25(4)10-7-16(32-15(2)29)13-26(25)11-12-27(18,19)21-20(26)22(30)33-23(21)31/h8,11-12,16-18,20-21H,5-7,9-10,13H2,1-4H3", + "name": "17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate", + "names": [ + "17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate" + ] + }, + { + "compound_id": "C15462", + "inchi": "InChI=1S/C15H19NO3/c1-19-12-3-4-13-10(8-12)6-7-16-9-11(15(17)18)2-5-14(13)16/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,17,18)/t11-,14+/m1/s1", + "name": "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid", + "names": [ + "cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid" + ] + }, + { + "compound_id": "C15463", + "inchi": "InChI=1S/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3/t17-,18+/m0/s1", + "name": "(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol", + "names": [ + "(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol" + ] + }, + { + "compound_id": "C15464", + "inchi": "InChI=1S/C17H30O/c1-16(18)12-8-6-4-2-3-5-7-9-13-17-14-10-11-15-17/h10,14,17H,2-9,11-13,15H2,1H3", + "name": "(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone", + "names": [ + "(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone" + ] + }, + { + "compound_id": "C15465", + "inchi": "InChI=1S/C17H30O3/c1-19-16(18)11-9-7-5-3-2-4-6-8-10-14-12-13-15-17(14)20-15/h14-15,17H,2-13H2,1H3", + "name": "6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester", + "names": [ + "6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester" + ] + }, + { + "compound_id": "C15466", + "inchi": "InChI=1S/C17H11NO5/c19-15(7-8-16(20)21)18-10-5-6-12-11-3-1-2-4-13(11)17(22)23-14(12)9-10/h1-9H,(H,18,19)(H,20,21)/b8-7-", + "name": "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid", + "names": [ + "N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid" + ] + }, + { + "compound_id": "C15467", + "inchi": "InChI=1S/C22H30O3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(24)25-21)11-17(23)22-12-13(22)3-7-20(16,22)2/h6,10,13-17,23H,3-5,7-9,11-12H2,1-2H3/t13?,14-,15-,16-,17+,19-,20+,21+,22?/m0/s1", + "name": "6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone", + "names": [ + "6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone" + ] + }, + { + "compound_id": "C15468", + "inchi": "InChI=1S/C21H30O2/c1-4-20(23)10-7-15-14-11-17(22)21-12-13(21)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13?,14-,15-,16-,17+,18-,19+,20-,21?/m0/s1", + "name": "3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol", + "names": [ + "3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol" + ] + }, + { + "compound_id": "C15469", + "inchi": null, + "name": "Butylated hydroxyanisole", + "names": [ + "BHA", + "Butylated hydroxyanisole", + "Butylhydroxyanisole" + ] + }, + { + "compound_id": "C15470", + "inchi": null, + "name": "Toxaphene", + "names": [ + "Camphechlor", + "Toxaphene" + ] + }, + { + "compound_id": "C15471", + "inchi": "InChI=1/Bi", + "name": "Bismuth", + "names": [ + "Bismuth" + ] + }, + { + "compound_id": "C15472", + "inchi": "InChI=1S/GeH4/h1H4", + "name": "Germanium", + "names": [ + "Germanium" + ] + }, + { + "compound_id": "C15473", + "inchi": "InChI=1/Li", + "name": "Lithium", + "names": [ + "Lithium" + ] + }, + { + "compound_id": "C15474", + "inchi": "InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)", + "name": "Tropolone", + "names": [ + "Tropolone" + ] + }, + { + "compound_id": "C15475", + "inchi": "InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3", + "name": "U 0521", + "names": [ + "U 0521" + ] + }, + { + "compound_id": "C15476", + "inchi": "InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3/t11-/m1/s1", + "name": "Norselegiline", + "names": [ + "Norselegiline" + ] + }, + { + "compound_id": "C15477", + "inchi": "InChI=1S/C12H19N3O/c1-3-8-15(9-4-2)10-13-11-6-5-7-12(16)14-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,16)/b13-10+", + "name": "CGP 28014", + "names": [ + "CGP 28014" + ] + }, + { + "compound_id": "C15478", + "inchi": "InChI=1S/C6H13NO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6?/m1/s1", + "name": "D-Fucosamine", + "names": [ + "2-Amino-2,6-dideoxy-D-galactose", + "D-Fucosamine" + ] + }, + { + "compound_id": "C15479", + "inchi": "InChI=1S/C6H13NO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4-,5-,6?/m1/s1", + "name": "D-Quinovosamine", + "names": [ + "2-Amino-2,6-dideoxy-D-glucose", + "D-Quinovosamine" + ] + }, + { + "compound_id": "C15480", + "inchi": "InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7-,8?/m1/s1", + "name": "N-Acetyl-D-fucosamine", + "names": [ + "2-Acetamido-2,6-dideoxy-D-galactose", + "N-Acetyl-D-fucosamine" + ] + }, + { + "compound_id": "C15481", + "inchi": "InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6-,7-,8?/m1/s1", + "name": "N-Acetyl-D-quinovosamine", + "names": [ + "2-Acetamido-2,6-dideoxy-D-glucose", + "N-Acetyl-D-quinovosamine" + ] + }, + { + "compound_id": "C15482", + "inchi": "InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1", + "name": "Bacitracin A", + "names": [ + "Bacitracin A" + ] + }, + { + "compound_id": "C15483", + "inchi": null, + "name": "D-Galactonolactone", + "names": [ + "D-Galactonolactone" + ] + }, + { + "compound_id": "C15484", + "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "Allopregnanolone", + "names": [ + "3beta-Hydroxy-5alpha-pregnane-20-one", + "Allopregnanolone" + ] + }, + { + "compound_id": "C15485", + "inchi": "InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1", + "name": "2'-Deoxymugineic acid", + "names": [ + "2'-Deoxymugineic acid" + ] + }, + { + "compound_id": "C15486", + "inchi": "InChI=1S/C12H18N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-8,13H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-/m0/s1", + "name": "3''-Deamino-3''-oxonicotianamine", + "names": [ + "3''-Deamino-3''-oxonicotianamine" + ] + }, + { + "compound_id": "C15487", + "inchi": null, + "name": "(2R)-Hydroxy-carboxylate", + "names": [ + "(2R)-Hydroxy-carboxylate", + "(R)-2-Hydroxycarboxylic acid" + ] + }, + { + "compound_id": "C15488", + "inchi": "InChI=1S/C2H3FO/c3-1-2-4/h2H,1H2", + "name": "Fluoroacetaldehyde", + "names": [ + "Fluoroacetaldehyde" + ] + }, + { + "compound_id": "C15489", + "inchi": "InChI=1S/C31H43N8O17P3S/c1-31(2,26(43)29(44)34-8-7-21(40)33-9-10-60-22(41)11-17-12-35-19-6-4-3-5-18(17)19)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)39-16-38-23-27(32)36-15-37-28(23)39/h3-6,12,15-16,20,24-26,30,35,42-43H,7-11,13-14H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,36,37)(H2,45,46,47)/t20-,24-,25-,26?,30-/m1/s1", + "name": "S-2-(Indol-3-yl)acetyl-CoA", + "names": [ + "S-2-(Indol-3-yl)acetyl-CoA" + ] + }, + { + "compound_id": "C15492", + "inchi": "InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+", + "name": "all-trans-13,14-Dihydroretinol", + "names": [ + "13,14-Dihydroretinol", + "all-trans-13,14-Dihydroretinol" + ] + }, + { + "compound_id": "C15493", + "inchi": "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+", + "name": "9-cis-Retinoic acid", + "names": [ + "9-cis-Retinoic acid" + ] + }, + { + "compound_id": "C15494", + "inchi": "InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3", + "name": "Decylubiquinone", + "names": [ + "2,3-Dimethoxy-5-methyl-6-decyl-1,4-benzoquinone", + "6-Decylubiquinone", + "Decylubiquinone" + ] + }, + { + "compound_id": "C15495", + "inchi": "InChI=1S/C19H32O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h20-21H,5-13H2,1-4H3", + "name": "Decylubiquinol", + "names": [ + "2-Decyl-5,6-dimethoxy-3-methyl-1,4-benzenediol", + "6-Decylubiquinol", + "Decylubiquinol" + ] + }, + { + "compound_id": "C15496", + "inchi": null, + "name": "Oxidized thiol-containing reductant", + "names": [ + "Oxidized thiol-containing reductant", + "R'-S-S-R'", + "Thiol-containing reductant disulfide form" + ] + }, + { + "compound_id": "C15497", + "inchi": "InChI=1S/C11H16N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1,3-4,7-9,11,14-16H,2,5H2,(H2,12,17)/t7-,8-,9-,11-/m1/s1", + "name": "1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide", + "names": [ + "1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide", + "Reduced nicotinamide riboside" + ] + }, + { + "compound_id": "C15498", + "inchi": null, + "name": "ROOH", + "names": [ + "Hydroperoxide", + "ROOH" + ] + }, + { + "compound_id": "C15499", + "inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3", + "name": "Pentane-2,4-dione", + "names": [ + "2,4-Dioxopentane", + "Acetylacetone", + "Pentane-2,4-dione" + ] + }, + { + "compound_id": "C15500", + "inchi": "InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1", + "name": "Mugineic acid", + "names": [ + "Mugineic acid" + ] + }, + { + "compound_id": "C15501", + "inchi": "InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7-,8-,9-/m0/s1", + "name": "3-Epihydroxymugineic acid", + "names": [ + "3-Epihydroxymugineic acid" + ] + }, + { + "compound_id": "C15502", + "inchi": "InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1", + "name": "3-Epihydroxy-2'-deoxymugineic acid", + "names": [ + "3-Epihydroxy-2'-deoxymugineic acid" + ] + }, + { + "compound_id": "C15503", + "inchi": "InChI=1S/C9H11NO5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)/t8-/m0/s1", + "name": "N,N-Dihydroxy-L-tyrosine", + "names": [ + "N,N-Dihydroxy-L-tyrosine" + ] + }, + { + "compound_id": "C15504", + "inchi": "InChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22)", + "name": "Demethylsulochrin", + "names": [ + "Demethylsulochrin" + ] + }, + { + "compound_id": "C15505", + "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H", + "name": "2,3,5,6-Tetrachlorophenol", + "names": [ + "2,3,5,6-Tetrachlorophenol" + ] + }, + { + "compound_id": "C15506", + "inchi": null, + "name": "Steroid ester", + "names": [ + "Steroid ester" + ] + }, + { + "compound_id": "C15507", + "inchi": null, + "name": "Steroid lactone", + "names": [ + "Steroid lactone" + ] + }, + { + "compound_id": "C15508", + "inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3", + "name": "1,2-Epoxypropane", + "names": [ + "1,2-Epoxypropane", + "1,2-Propylene oxide", + "Propylene oxide" + ] + }, + { + "compound_id": "C15509", + "inchi": "InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1", + "name": "Glyceocarpin", + "names": [ + "2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan", + "Glyceocarpin" + ] + }, + { + "compound_id": "C15510", + "inchi": "InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-,20+/m0/s1", + "name": "4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan", + "names": [ + "4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan", + "4-Dimethylallylglycinol" + ] + }, + { + "compound_id": "C15511", + "inchi": "InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1", + "name": "Glyceollin III", + "names": [ + "Glyceollin III" + ] + }, + { + "compound_id": "C15512", + "inchi": "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3", + "name": "Phenylacetone", + "names": [ + "1-Phenyl-2-propanone", + "Phenylacetone" + ] + }, + { + "compound_id": "C15513", + "inchi": "InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3", + "name": "Benzyl acetate", + "names": [ + "Benzyl acetate" + ] + }, + { + "compound_id": "C15514", + "inchi": "InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15-/m1/s1", + "name": "8'-Hydroxyabscisate", + "names": [ + "8'-Hydroxyabscisate" + ] + }, + { + "compound_id": "C15515", + "inchi": "InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1", + "name": "Murideoxycholic acid", + "names": [ + "3alpha,6beta-Dihydroxy-5beta-cholanic acid", + "6beta-Hydroxylithocholate", + "Murideoxycholate", + "Murideoxycholic acid" + ] + }, + { + "compound_id": "C15516", + "inchi": "InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-/m1/s1", + "name": "Taurohyocholate", + "names": [ + "N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine", + "Taurohyocholate" + ] + }, + { + "compound_id": "C15517", + "inchi": "InChI=1/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1/f/h27H", + "name": "Hyodeoxycholate", + "names": [ + "Hyodeoxycholate" + ] + }, + { + "compound_id": "C15518", + "inchi": "InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "(24S)-Cholest-5-ene-3beta,7alpha,24-triol", + "names": [ + "(24S)-Cholest-5-ene-3beta,7alpha,24-triol", + "5-Cholesten-3beta,7alpha,24(S)-triol" + ] + }, + { + "compound_id": "C15519", + "inchi": "InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1", + "name": "25-Hydroxycholesterol", + "names": [ + "25-Hydroxycholesterol", + "Cholest-5-ene-3beta,25-diol" + ] + }, + { + "compound_id": "C15520", + "inchi": "InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1", + "name": "Cholest-5-ene-3beta,7alpha,25-triol", + "names": [ + "3beta,7alpha,25-Trihydroxycholest-5-ene", + "5-Cholesten-3beta,7alpha,25-triol", + "7alpha,25-Dihydroxycholesterol", + "Cholest-5-ene-3beta,7alpha,25-triol" + ] + }, + { + "compound_id": "C15521", + "inchi": null, + "name": "Alkanesulfonate", + "names": [ + "Alkanesulfonate" + ] + }, + { + "compound_id": "C15522", + "inchi": "InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1", + "name": "4a-Hydroxytetrahydrobiopterin", + "names": [ + "(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin", + "4a-Hydroxy-5,6,4,8-tetrahydrobiopterin", + "4a-Hydroxytetrahydrobiopterin" + ] + }, + { + "compound_id": "C15523", + "inchi": "InChI=1S/C6H5NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)", + "name": "2,6-Dihydroxynicotinate", + "names": [ + "2,6-Dihydroxynicotinate" + ] + }, + { + "compound_id": "C15524", + "inchi": "InChI=1S/C29H40N7O18P3S/c1-29(2,23(40)26(41)32-9-8-18(37)31-10-11-58-28(42)20(38)16-6-4-3-5-7-16)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(39)27(52-17)36-15-35-19-24(30)33-14-34-25(19)36/h3-7,14-15,17,21-23,27,39-40H,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23?,27-/m1/s1", + "name": "Phenylglyoxylyl-CoA", + "names": [ + "Phenylglyoxylyl-CoA" + ] + }, + { + "compound_id": "C15525", + "inchi": "InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+", + "name": "Eriodictyol chalcone", + "names": [ + "2',3,4,4',6'-Pentahydroxychalcone", + "Eriodictyol chalcone" + ] + }, + { + "compound_id": "C15527", + "inchi": "InChI=1S/C41H46N4O16/c1-41(17-40(60)61)24(5-9-36(52)53)31-15-29-22(11-38(56)57)19(3-7-34(48)49)27(43-29)14-28-21(10-37(54)55)18(2-6-33(46)47)25(42-28)13-26-20(4-8-35(50)51)23(12-39(58)59)30(44-26)16-32(41)45-31/h16,24,42-44H,2-15,17H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b32-16-/t24-,41+/m1/s1", + "name": "Precorrin 1", + "names": [ + "Precorrin 1" + ] + }, + { + "compound_id": "C15528", + "inchi": null, + "name": "[Cytochrome c]-arginine", + "names": [ + "[Cytochrome c]-arginine" + ] + }, + { + "compound_id": "C15529", + "inchi": null, + "name": "[Cytochrome c]-N(omega)-methylarginine", + "names": [ + "[Cytochrome c]-N(omega)-methylarginine" + ] + }, + { + "compound_id": "C15530", + "inchi": "InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1", + "name": "Corydaline", + "names": [ + "(+)-Corydaline", + "Corydaline" + ] + }, + { + "compound_id": "C15531", + "inchi": "InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+", + "name": "2'-O-Methylisoliquiritigenin", + "names": [ + "2'-O-Methylisoliquiritigenin" + ] + }, + { + "compound_id": "C15532", + "inchi": "InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1", + "name": "N-Acetyl-L-citrulline", + "names": [ + "N-Acetyl-L-citrulline" + ] + }, + { + "compound_id": "C15533", + "inchi": "InChI=1S/C4H8FNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1", + "name": "4-Fluoro-L-threonine", + "names": [ + "4-Fluoro-L-threonine" + ] + }, + { + "compound_id": "C15534", + "inchi": null, + "name": "2-Arylethylamine", + "names": [ + "2-Arylethylamine" + ] + }, + { + "compound_id": "C15535", + "inchi": null, + "name": "N-Acetyl-2-arylethylamine", + "names": [ + "N-Acetyl-2-arylethylamine" + ] + }, + { + "compound_id": "C15536", + "inchi": "InChI=1S/C19H30O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,12-18,20H,3,6-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18+/m1/s1", + "name": "Dihydromonacolin L", + "names": [ + "Dihydromonacolin L" + ] + }, + { + "compound_id": "C15537", + "inchi": "InChI=1S/C28H40O8/c1-14-12-21(34-17(4)30)25-26(36-19(6)32)24-15(2)20(33-16(3)29)10-11-28(24,9)13-22(35-18(5)31)23(14)27(25,7)8/h20-22,24-26H,2,10-13H2,1,3-9H3/t20-,21-,22-,24-,25-,26-,28-/m0/s1", + "name": "Taxuyunnanin C", + "names": [ + "Taxuyunnanin C" + ] + }, + { + "compound_id": "C15538", + "inchi": "InChI=1S/C26H38O7/c1-13-11-20(32-16(4)28)23-24(33-17(5)29)22-14(2)19(31-15(3)27)9-10-26(22,8)12-18(30)21(13)25(23,6)7/h18-20,22-24,30H,2,9-12H2,1,3-8H3/t18-,19-,20-,22-,23-,24-,26-/m0/s1", + "name": "10-Desacetyltaxuyunnanin C", + "names": [ + "10-Desacetyltaxuyunnanin C" + ] + }, + { + "compound_id": "C15539", + "inchi": null, + "name": "Anthocyanidin 3-O-beta-D-glucoside", + "names": [ + "Anthocyanidin 3-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C15540", + "inchi": null, + "name": "Anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside)", + "names": [ + "Anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C15541", + "inchi": null, + "name": "NDP-glucose", + "names": [ + "NDP-D-glucose", + "NDP-glucose" + ] + }, + { + "compound_id": "C15542", + "inchi": "InChI=1S/C61H101O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60+,61+/m1/s1", + "name": "D-Mannosyl-1-phosphoundecaprenol", + "names": [ + "D-Mannosyl-1-phosphoundecaprenol" + ] + }, + { + "compound_id": "C15543", + "inchi": null, + "name": "6-(alpha-D-Mannosyl)-beta-D-mannosyl-R", + "names": [ + "6-(alpha-D-Mannosyl)-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C15544", + "inchi": null, + "name": "4-(N-Acetyl-beta-D-glucosaminyl)-beta-D-mannosyl-R", + "names": [ + "4-(N-Acetyl-beta-D-glucosaminyl)-beta-D-mannosyl-R" + ] + }, + { + "compound_id": "C15545", + "inchi": "InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-", + "name": "cis-Zeatin", + "names": [ + "(Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol", + "cis-Zeatin" + ] + }, + { + "compound_id": "C15546", + "inchi": "InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2-/t9-,11-,12+,13-,16-/m1/s1", + "name": "O-beta-D-Glucopyranosyl-cis-zeatin", + "names": [ + "O-beta-D-Glucopyranosyl-cis-zeatin", + "cis-Zeatin-O-glucoside" + ] + }, + { + "compound_id": "C15547", + "inchi": "InChI=1S/C32H42N7O19P3S/c1-32(2,26(44)29(45)35-8-7-21(41)34-9-10-62-31(46)18-11-19(40)16-5-3-4-6-17(16)23(18)42)13-55-61(52,53)58-60(50,51)54-12-20-25(57-59(47,48)49)24(43)30(56-20)39-15-38-22-27(33)36-14-37-28(22)39/h3-6,11,14-15,20,24-26,30,40,42-44H,7-10,12-13H2,1-2H3,(H,34,41)(H,35,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t20-,24-,25-,26?,30-/m1/s1", + "name": "1,4-Dihydroxy-2-naphthoyl-CoA", + "names": [ + "1,4-Dihydroxy-2-naphthoyl-CoA" + ] + }, + { + "compound_id": "C15548", + "inchi": "InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10?,11?,12?/m1/s1", + "name": "2-alpha-D-Glucosyl-D-glucose", + "names": [ + "2-alpha-D-Glucosyl-D-glucose" + ] + }, + { + "compound_id": "C15549", + "inchi": "InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1", + "name": "Anthocyanin", + "names": [ + "Anthocyanin" + ] + }, + { + "compound_id": "C15550", + "inchi": "InChI=1S/C21H21O7/c22-11-16-17(23)18(24)19(25)21(28-16)27-15-10-13-8-4-5-9-14(13)26-20(15)12-6-2-1-3-7-12/h1-10,16-19,21-25H,11H2/q+1/t16-,17-,18+,19-,21-/m1/s1", + "name": "Anthocyanin 3'-O-beta-D-glucoside", + "names": [ + "Anthocyanin 3'-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C15551", + "inchi": "InChI=1S/C16H18ClN3O4.Na/c1-2-3-8-14-18-16(17)13(9-15(21)22)19(14)10-11-6-4-5-7-12(11)20(23)24;/h4-7H,2-3,8-10H2,1H3,(H,21,22);/q;+1/p-1", + "name": "CV 2961", + "names": [ + "CV 2961", + "S 8308" + ] + }, + { + "compound_id": "C15552", + "inchi": "InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)", + "name": "PD 123177", + "names": [ + "PD 123177" + ] + }, + { + "compound_id": "C15553", + "inchi": "InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1", + "name": "PD 123319", + "names": [ + "PD 123319" + ] + }, + { + "compound_id": "C15554", + "inchi": "InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)", + "name": "EXP 3174", + "names": [ + "EXP 3174" + ] + }, + { + "compound_id": "C15555", + "inchi": "InChI=1S/C21H20O8/c22-10-14-16(24)17(25)18(26)21(28-14)29-20-15(23)12-8-4-5-9-13(12)27-19(20)11-6-2-1-3-7-11/h1-9,14,16-18,21-22,24-26H,10H2/t14-,16?,17+,18-,21+/m1/s1", + "name": "Flavonol 3-O-D-glycoside", + "names": [ + "Flavonol 3-O-D-glycoside", + "Flavonol 3-O-beta-D-glycoside" + ] + }, + { + "compound_id": "C15556", + "inchi": "InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)", + "name": "L-3,4-Dihydroxybutan-2-one 4-phosphate", + "names": [ + "1-Deoxy-L-glycero-tetrulose 4-phosphate", + "2-Hydroxy-3-oxobutyl phosphate", + "L-3,4-Dihydroxybutan-2-one 4-phosphate" + ] + }, + { + "compound_id": "C15557", + "inchi": "InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1", + "name": "Glycolithocholate", + "names": [ + "Glycolithocholate", + "Glycolithocholic acid" + ] + }, + { + "compound_id": "C15558", + "inchi": null, + "name": "Dermatan 6'-sulfate", + "names": [ + "Dermatan 6'-sulfate" + ] + }, + { + "compound_id": "C15559", + "inchi": "InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)35-36(32,33)34/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1", + "name": "Glycochenodeoxycholate 7-sulfate", + "names": [ + "Glycochenodeoxycholate 7-sulfate" + ] + }, + { + "compound_id": "C15560", + "inchi": "InChI=1S/C45H74N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-32,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25-,26-,27+,28-,29+,30+,31-,32+,36-,37-,38?,42-,44+,45-/m1/s1", + "name": "Deoxycholoyl-CoA", + "names": [ + "Deoxycholoyl-CoA" + ] + }, + { + "compound_id": "C15561", + "inchi": "InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)", + "name": "N-Benzylformamide", + "names": [ + "N-Benzylformamide" + ] + }, + { + "compound_id": "C15562", + "inchi": "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2", + "name": "Benzylamine", + "names": [ + "Benzenemethanamine", + "Benzylamine" + ] + }, + { + "compound_id": "C15563", + "inchi": "InChI=1S/C10H16N5O9P/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1", + "name": "2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one", + "names": [ + "2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one" + ] + }, + { + "compound_id": "C15564", + "inchi": null, + "name": "(R)-2-Haloacid", + "names": [ + "(R)-2-Haloacid" + ] + }, + { + "compound_id": "C15565", + "inchi": null, + "name": "(S)-2-Hydroxyacid", + "names": [ + "(S)-2-Hydroxy acid", + "(S)-2-Hydroxyacid", + "(S)-2-Hydroxyalkanoic acid", + "(S)-2-Hydroxycarboxylic acid" + ] + }, + { + "compound_id": "C15566", + "inchi": "InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/t6-/m1/s1", + "name": "D-Dopachrome", + "names": [ + "D-Dopachrome" + ] + }, + { + "compound_id": "C15567", + "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H", + "name": "2,7,4'-Trihydroxyisoflavanone", + "names": [ + "2,7,4'-Trihydroxyisoflavanone" + ] + }, + { + "compound_id": "C15568", + "inchi": "InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", + "name": "7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate", + "names": [ + "7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate" + ] + }, + { + "compound_id": "C15569", + "inchi": "InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1", + "name": "12alpha-Hydroxy-3-oxochola-4,6-dienoate", + "names": [ + "12alpha-Hydroxy-3-oxochola-4,6-dienoate" + ] + }, + { + "compound_id": "C15570", + "inchi": "InChI=1S/C15H12O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,14-15,17H", + "name": "Dihydroflavonol", + "names": [ + "Dihydroflavonol" + ] + }, + { + "compound_id": "C15571", + "inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H", + "name": "Catechol", + "names": [ + "Catechol" + ] + }, + { + "compound_id": "C15572", + "inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3", + "name": "Guaiacol", + "names": [ + "Guaiacol" + ] + }, + { + "compound_id": "C15573", + "inchi": null, + "name": "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan", + "names": [ + "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan" + ] + }, + { + "compound_id": "C15574", + "inchi": null, + "name": "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan", + "names": [ + "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan" + ] + }, + { + "compound_id": "C15575", + "inchi": null, + "name": "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", + "names": [ + "N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" + ] + }, + { + "compound_id": "C15576", + "inchi": null, + "name": "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", + "names": [ + "beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" + ] + }, + { + "compound_id": "C15577", + "inchi": null, + "name": "N-Acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", + "names": [ + "N-Acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" + ] + }, + { + "compound_id": "C15578", + "inchi": null, + "name": "beta-D-Glucuronosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan", + "names": [ + "beta-D-Glucuronosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosylproteoglycan" + ] + }, + { + "compound_id": "C15579", + "inchi": "InChI=1S/C27H32O12/c1-12-20(30)22(32)24(34)26(35-12)39-25-23(33)21(31)19(11-28)38-27(25)36-14-7-8-15-16(29)10-17(37-18(15)9-14)13-5-3-2-4-6-13/h2-9,12,17,19-28,30-34H,10-11H2,1H3/t12-,17?,19+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1", + "name": "Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]", + "names": [ + "Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]" + ] + }, + { + "compound_id": "C15580", + "inchi": "InChI=1S/C21H20O9/c22-9-14-16(24)17(25)19(27)21(30-14)28-11-6-7-12-13(8-11)29-20(18(26)15(12)23)10-4-2-1-3-5-10/h1-8,14,16-17,19,21-22,24-27H,9H2/t14-,16-,17+,19-,21-/m1/s1", + "name": "Flavonol 7-O-beta-D-glucoside", + "names": [ + "Flavonol 7-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C15581", + "inchi": "InChI=1S/C27H30O13/c28-10-15-18(31)20(33)22(35)26(37-15)40-25-21(34)19(32)16(11-29)38-27(25)39-24-17(30)13-8-4-5-9-14(13)36-23(24)12-6-2-1-3-7-12/h1-9,15-16,18-22,25-29,31-35H,10-11H2/t15-,16-,18-,19-,20+,21+,22-,25-,26+,27+/m1/s1", + "name": "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "names": [ + "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside" + ] + }, + { + "compound_id": "C15582", + "inchi": "InChI=1S/C33H40O18/c34-10-16-20(38)23(41)26(44)31(46-16)50-29-24(42)21(39)18(12-36)48-33(29)51-30-25(43)22(40)17(11-35)47-32(30)49-28-19(37)14-8-4-5-9-15(14)45-27(28)13-6-2-1-3-7-13/h1-9,16-18,20-26,29-36,38-44H,10-12H2/t16-,17-,18-,20-,21-,22-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1", + "name": "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside", + "names": [ + "Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside" + ] + }, + { + "compound_id": "C15583", + "inchi": "InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3", + "name": "Phenyl acetate", + "names": [ + "Phenyl acetate" + ] + }, + { + "compound_id": "C15584", + "inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H", + "name": "Phenol", + "names": [ + "Phenol" + ] + }, + { + "compound_id": "C15585", + "inchi": null, + "name": "myo-Inositol phosphate", + "names": [ + "myo-Inositol phosphate" + ] + }, + { + "compound_id": "C15586", + "inchi": "InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1", + "name": "N-D-Ribosylpurine", + "names": [ + "N-D-Ribosylpurine", + "Purine nucleoside" + ] + }, + { + "compound_id": "C15587", + "inchi": "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)", + "name": "Purine", + "names": [ + "Purine", + "Purine base" + ] + }, + { + "compound_id": "C15588", + "inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2", + "name": "Glycol", + "names": [ + "Glycol" + ] + }, + { + "compound_id": "C15589", + "inchi": "InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+", + "name": "Chalcone", + "names": [ + "Chalcone" + ] + }, + { + "compound_id": "C15590", + "inchi": null, + "name": "Acylglycerol", + "names": [ + "Acylglycerol" + ] + }, + { + "compound_id": "C15591", + "inchi": "InChI=1S/C18H18O7/c1-7-14(22)12(9(3)20)16(24)13(15(7)23)18(4)6-5-10(21)11(8(2)19)17(18)25/h5-6,21-24H,1-4H3/t18-/m1/s1", + "name": "2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one", + "names": [ + "2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one" + ] + }, + { + "compound_id": "C15592", + "inchi": null, + "name": "Pyranose", + "names": [ + "Pyranose" + ] + }, + { + "compound_id": "C15593", + "inchi": null, + "name": "2-Dehydropyranose", + "names": [ + "2-Dehydropyranose" + ] + }, + { + "compound_id": "C15594", + "inchi": null, + "name": "Pyranoside", + "names": [ + "Pyranoside" + ] + }, + { + "compound_id": "C15595", + "inchi": null, + "name": "3-Dehydropyranoside", + "names": [ + "3-Dehydropyranoside" + ] + }, + { + "compound_id": "C15596", + "inchi": null, + "name": "n-Alkanal", + "names": [ + "n-Alkanal" + ] + }, + { + "compound_id": "C15597", + "inchi": null, + "name": "Alk-2-enal", + "names": [ + "Alk-2-enal" + ] + }, + { + "compound_id": "C15598", + "inchi": "InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2", + "name": "Favan-3-ol", + "names": [ + "Favan-3-ol" + ] + }, + { + "compound_id": "C15599", + "inchi": "InChI=1S/C14H14N2O8/c15-7(13(21)22)2-4-1-5-6(12(19)20)3-8(14(23)24)16-9(5)11(18)10(4)17/h1,6-8,16H,2-3,15H2,(H,19,20)(H,21,22)(H,23,24)", + "name": "6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate", + "names": [ + "6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate", + "6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid" + ] + }, + { + "compound_id": "C15601", + "inchi": null, + "name": "Glyceollin", + "names": [ + "Glyceollin" + ] + }, + { + "compound_id": "C15602", + "inchi": null, + "name": "Quinone", + "names": [ + "Quinone" + ] + }, + { + "compound_id": "C15603", + "inchi": null, + "name": "Hydroquinone", + "names": [ + "Hydroquinone", + "Quinol", + "p-Hydroquinone" + ] + }, + { + "compound_id": "C15604", + "inchi": "", + "name": "Prenal", + "names": [ + "Prenal" + ] + }, + { + "compound_id": "C15605", + "inchi": "InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m1/s1", + "name": "N-Formyl-D-kynurenine", + "names": [ + "N-Formyl-D-kynurenine" + ] + }, + { + "compound_id": "C15606", + "inchi": "InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-", + "name": "1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one", + "names": [ + "1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one" + ] + }, + { + "compound_id": "C15607", + "inchi": "InChI=1S/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10)", + "name": "3-Oxo-3-ureidopropanoate", + "names": [ + "3-Oxo-3-ureidopropanoate", + "Malonuric acid" + ] + }, + { + "compound_id": "C15608", + "inchi": "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H", + "name": "Flavone", + "names": [ + "Flavone" + ] + }, + { + "compound_id": "C15609", + "inchi": "InChI=1S/C15H12O4/c16-10-5-9(6-11(17)7-10)15-8-13(18)12-3-1-2-4-14(12)19-15/h1-7,15-17H,8H2", + "name": "3',5'-Dihydroxyflavanone", + "names": [ + "3',5'-Dihydroxyflavanone" + ] + }, + { + "compound_id": "C15610", + "inchi": "InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Cholest-5-ene-3beta,26-diol", + "names": [ + "26-Hydroxycholesterol", + "27-Hydroxycholesterol", + "Cholest-5-ene-3beta,26-diol", + "Cholest-5-ene-3beta,27-diol" + ] + }, + { + "compound_id": "C15612", + "inchi": "InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1", + "name": "Senecionine N-oxide", + "names": [ + "Senecionine N-oxide" + ] + }, + { + "compound_id": "C15613", + "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40?,44-,47+,48-/m1/s1", + "name": "(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA", + "names": [ + "(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA" + ] + }, + { + "compound_id": "C15614", + "inchi": "InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,36+,38-,39-,40?,44-,47+,48-/m1/s1", + "name": "(24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA", + "names": [ + "(24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oyl-CoA" + ] + }, + { + "compound_id": "C15615", + "inchi": "InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H", + "name": "7-Hydroxyisoflavone", + "names": [ + "7-Hydroxyisoflavone" + ] + }, + { + "compound_id": "C15616", + "inchi": "InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3", + "name": "7-Methoxyisoflavone", + "names": [ + "7-Methoxyisoflavone" + ] + }, + { + "compound_id": "C15617", + "inchi": "InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)", + "name": "Pirinixic acid", + "names": [ + "Pirinixic acid" + ] + }, + { + "compound_id": "C15618", + "inchi": "InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)", + "name": "Sobetirome", + "names": [ + "GC-1", + "Sobetirome" + ] + }, + { + "compound_id": "C15619", + "inchi": "InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)", + "name": "Am 580", + "names": [ + "Am 580" + ] + }, + { + "compound_id": "C15620", + "inchi": "InChI=1S/C35H36F3N3O5/c1-4-44-34(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)45-19-18-31-24(3)46-33(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1", + "name": "GW 6471", + "names": [ + "GW 6471" + ] + }, + { + "compound_id": "C15622", + "inchi": "InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)", + "name": "GW 7647", + "names": [ + "GW 7647" + ] + }, + { + "compound_id": "C15623", + "inchi": "InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1", + "name": "GW 409544", + "names": [ + "GW 409544", + "GW 9544" + ] + }, + { + "compound_id": "C15624", + "inchi": "InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)", + "name": "GW 2433", + "names": [ + "GW 2433" + ] + }, + { + "compound_id": "C15625", + "inchi": "InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)", + "name": "GW 0742", + "names": [ + "GW 0742" + ] + }, + { + "compound_id": "C15626", + "inchi": "InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1", + "name": "GW 1929", + "names": [ + "GW 1929" + ] + }, + { + "compound_id": "C15627", + "inchi": "InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)", + "name": "GW 9662", + "names": [ + "2-Chloro-5-nitrobenzanilide", + "GW 9662" + ] + }, + { + "compound_id": "C15628", + "inchi": "InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3", + "name": "SR 12813", + "names": [ + "GW 485801", + "SR 12813" + ] + }, + { + "compound_id": "C15629", + "inchi": "InChI=1S/C8H12N4OS2/c1-3-4-12-6(13)5-15-8(12)11-10-7(14)9-2/h3H,1,4-5H2,2H3,(H2,9,10,14)/b11-8-", + "name": "CGP 52608", + "names": [ + "CGP 52608" + ] + }, + { + "compound_id": "C15630", + "inchi": "InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2", + "name": "T 0901317", + "names": [ + "T 0901317" + ] + }, + { + "compound_id": "C15631", + "inchi": "InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)", + "name": "GW 3965", + "names": [ + "GW 3965" + ] + }, + { + "compound_id": "C15632", + "inchi": "InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1", + "name": "24(S),25-Epoxycholesterol", + "names": [ + "24(S),25-Epoxycholesterol" + ] + }, + { + "compound_id": "C15633", + "inchi": "InChI=1S/C27H44O3/c1-16(6-9-22-24(2,3)29-22)19-7-8-20-18-14-23-27(30-23)15-17(28)10-13-26(27,5)21(18)11-12-25(19,20)4/h16-23,28H,6-15H2,1-5H3/t16-,17+,18+,19-,20+,21+,22+,23+,25-,26-,27+/m1/s1", + "name": "5,6-24(S),25-Diepoxycholesterol", + "names": [ + "(24S,25)-Epoxycholesterol alpha-epoxide", + "5,6-24(S),25-Diepoxycholesterol" + ] + }, + { + "compound_id": "C15634", + "inchi": "InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+", + "name": "Arotinoid acid", + "names": [ + "Arotinoid acid", + "Ro 13-7410", + "TTNPB" + ] + }, + { + "compound_id": "C15635", + "inchi": "InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+", + "name": "GW 4064", + "names": [ + "GW 4064" + ] + }, + { + "compound_id": "C15636", + "inchi": "InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1", + "name": "6-Ethylchenodeoxycholic acid", + "names": [ + "6-ECDCA", + "6-Ethyl-CDCA", + "6-Ethylchenodeoxycholic acid", + "6alpha-Ethyl-chenodeoxycholic acid" + ] + }, + { + "compound_id": "C15637", + "inchi": "InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1", + "name": "Pregnenolone carbonitrile", + "names": [ + "3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile", + "PCN", + "Pregnenolone carbonitrile", + "Pregnenolone-16alpha-carbonitrile" + ] + }, + { + "compound_id": "C15638", + "inchi": "InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1", + "name": "3-Androstanol", + "names": [ + "3-Androstanol", + "5alpha-Androstan-3alpha-ol", + "Androstanol" + ] + }, + { + "compound_id": "C15639", + "inchi": "InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+", + "name": "CITCO", + "names": [ + "6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime", + "CITCO" + ] + }, + { + "compound_id": "C15640", + "inchi": "InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)", + "name": "LG 100268", + "names": [ + "LG 100268" + ] + }, + { + "compound_id": "C15641", + "inchi": "InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+", + "name": "XCT 790", + "names": [ + "XCT 790" + ] + }, + { + "compound_id": "C15642", + "inchi": "InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+", + "name": "GSK 4716", + "names": [ + "GSK 4716" + ] + }, + { + "compound_id": "C15643", + "inchi": "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1", + "name": "Dexamethasone", + "names": [ + "Dexamethasone" + ] + }, + { + "compound_id": "C15644", + "inchi": "InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+", + "name": "GW 0791", + "names": [ + "GW 0791" + ] + }, + { + "compound_id": "C15645", + "inchi": null, + "name": "1-(1-Alkenyl)-sn-glycerol", + "names": [ + "1-(1-Alkenyl)-sn-glycerol" + ] + }, + { + "compound_id": "C15646", + "inchi": null, + "name": "1-(1-Alkenyl)-sn-glycero-3-phosphate", + "names": [ + "1-(1-Alkenyl)-sn-glycero-3-phosphate" + ] + }, + { + "compound_id": "C15647", + "inchi": null, + "name": "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphate", + "names": [ + "2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphate" + ] + }, + { + "compound_id": "C15648", + "inchi": "InChI=1S/C10H8Cl8/c1-4-5(2,3)7(12)8(13,14)6(4,11)9(15,16)10(7,17)18/h1H2,2-3H3", + "name": "Octachlorocamphene", + "names": [ + "Octachlorocamphene" + ] + }, + { + "compound_id": "C15649", + "inchi": "InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+", + "name": "Fexaramine", + "names": [ + "Fexaramine" + ] + }, + { + "compound_id": "C15650", + "inchi": "InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)", + "name": "2,3-Diketo-5-methylthiopentyl-1-phosphate", + "names": [ + "2,3-Diketo-5-methylthiopentyl-1-phosphate", + "5-(Methylthio)-2,3-dioxopentyl phosphate" + ] + }, + { + "compound_id": "C15651", + "inchi": "InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-", + "name": "2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate", + "names": [ + "2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate", + "2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate" + ] + }, + { + "compound_id": "C15652", + "inchi": "InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", + "name": "Neomycin C", + "names": [ + "Neomycin C" + ] + }, + { + "compound_id": "C15653", + "inchi": null, + "name": "Peptide-L-methionine (R)-S-oxide", + "names": [ + "Peptide-L-methionine (R)-S-oxide" + ] + }, + { + "compound_id": "C15654", + "inchi": "InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1", + "name": "Kni 102", + "names": [ + "Kni 102" + ] + }, + { + "compound_id": "C15655", + "inchi": "InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1", + "name": "Kynostatin 272", + "names": [ + "KNI-272", + "Kynostatin 272" + ] + }, + { + "compound_id": "C15656", + "inchi": null, + "name": "alpha-N-Acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosylproteoglycan", + "names": [ + "alpha-N-Acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosylproteoglycan" + ] + }, + { + "compound_id": "C15657", + "inchi": "InChI=1S/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1", + "name": "BILA 2185BS", + "names": [ + "BILA 2185BS" + ] + }, + { + "compound_id": "C15658", + "inchi": "InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1", + "name": "6-(alpha-D-Glucosaminyl)-1D-myo-inositol", + "names": [ + "6-(alpha-D-Glucosaminyl)-1D-myo-inositol" + ] + }, + { + "compound_id": "C15659", + "inchi": "InChI=1S/C28H38N2O8S/c1-19(2)16-30(39(33,34)22-11-9-21(35-3)10-12-22)17-25(31)24(15-20-7-5-4-6-8-20)29-28(32)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1", + "name": "TMC 126", + "names": [ + "TMC 126", + "UIC 94003" + ] + }, + { + "compound_id": "C15660", + "inchi": "InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1", + "name": "A 77003", + "names": [ + "A 77003" + ] + }, + { + "compound_id": "C15661", + "inchi": "InChI=1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1", + "name": "A 80987", + "names": [ + "A 80987" + ] + }, + { + "compound_id": "C15662", + "inchi": "InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1", + "name": "Dmp 323", + "names": [ + "Dmp 323" + ] + }, + { + "compound_id": "C15663", + "inchi": "InChI=1S/C7H8N2S.ClH/c8-7(10)5-6-3-1-2-4-9-6;/h1-4H,5H2,(H2,8,10);1H", + "name": "CMN 131", + "names": [ + "CMN 131", + "Pyridyl-2-thioacetamide monohydrochloride" + ] + }, + { + "compound_id": "C15664", + "inchi": "InChI=1S/C16H14F3N3OS/c1-9-13(20-6-5-14(9)23-2)8-24-15-21-11-4-3-10(16(17,18)19)7-12(11)22-15/h3-7H,8H2,1-2H3,(H,21,22)", + "name": "B 823-08", + "names": [ + "B 823-08" + ] + }, + { + "compound_id": "C15665", + "inchi": "InChI=1S/C22H25N3O3S/c1-12-17(23-8-7-18(12)28-6)11-29(27)20-24-15-9-13-14(10-16(15)25-20)22(4,5)19(26)21(13,2)3/h7-10H,11H2,1-6H3,(H,24,25)", + "name": "Ro 18-5364", + "names": [ + "Ro 18-5364" + ] + }, + { + "compound_id": "C15666", + "inchi": "InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1", + "name": "(7R)-7-(4-Carboxybutanamido)cephalosporanate", + "names": [ + "(7R)-7-(4-Carboxybutanamido)cephalosporanate", + "7-Glutarylaminocephalosporanate" + ] + }, + { + "compound_id": "C15667", + "inchi": "InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1", + "name": "5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole", + "names": [ + "5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole" + ] + }, + { + "compound_id": "C15668", + "inchi": "InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2", + "name": "1-Pyrroline", + "names": [ + "1-Pyrroline", + "3,4-Dihydro-2H-pyrrole" + ] + }, + { + "compound_id": "C15669", + "inchi": null, + "name": "Teicoplanin A3", + "names": [ + "Teichomycin A3", + "Teicoplanin A3" + ] + }, + { + "compound_id": "C15670", + "inchi": "InChI=1S/C49H58N4O6.Fe/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+2/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;", + "name": "Heme A", + "names": [ + "Heme A" + ] + }, + { + "compound_id": "C15672", + "inchi": "InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+2/p-2/b29-16+,30-18+,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;", + "name": "Heme O", + "names": [ + "Heme O" + ] + }, + { + "compound_id": "C15673", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)", + "name": "2-Dehydro-L-idonate", + "names": [ + "2-Dehydro-L-idonate", + "2-Dehydro-L-idonic acid", + "2-Keto-L-gulonate", + "2-Keto-L-gulonic acid", + "L-Ketoidonate", + "L-Ketoidonic acid", + "L-Sorbosonate", + "L-Sorbosonic acid", + "L-xylo-Hex-2-ulosonic acid" + ] + }, + { + "compound_id": "C15674", + "inchi": "InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1", + "name": "Myxothiazol A", + "names": [ + "Myxothiazol A" + ] + }, + { + "compound_id": "C15675", + "inchi": "InChI=1S/C26H34N2O4S2/c1-17(2)10-8-9-11-18(3)25-28-21(16-34-25)26-27-20(15-33-26)12-13-22(30-5)19(4)23(31-6)14-24(29)32-7/h8-19,22H,1-7H3/b10-8+,11-9+,13-12+,23-14+/t18-,19+,22-/m0/s1", + "name": "Myxothiazol Z", + "names": [ + "Myxothiazol Z" + ] + }, + { + "compound_id": "C15676", + "inchi": "InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13?,14-,15+,17-/m0/s1", + "name": "HC-toxin", + "names": [ + "HC-toxin" + ] + }, + { + "compound_id": "C15677", + "inchi": "InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1", + "name": "Leinamycin", + "names": [ + "Leinamycin" + ] + }, + { + "compound_id": "C15678", + "inchi": "InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23+,24-,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1", + "name": "Chalcomycin", + "names": [ + "Chalcomycin" + ] + }, + { + "compound_id": "C15679", + "inchi": "InChI=1S/C42H72O16/c1-19-17-41(12,49)37(47)24(6)35(54-28(10)44)23(5)34(21(3)26(8)43)57-39(48)25(7)36(22(4)33(19)58-40-32(46)30(50-14)16-20(2)52-40)56-31-18-42(13,51-15)38(27(9)53-31)55-29(11)45/h19-27,30-36,38,40,43,46,49H,16-18H2,1-15H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,30-,31-,32+,33-,34+,35-,36-,38+,40-,41-,42+/m0/s1", + "name": "Lankamycin", + "names": [ + "Lankamycin" + ] + }, + { + "compound_id": "C15680", + "inchi": "InChI=1S/C37H61NO13/c1-11-27-37(43,18-46-36-33(45-10)32(44-9)29(41)23(6)48-36)34-26(49-34)14-13-25(39)20(3)16-21(4)31(19(2)12-15-28(40)50-27)51-35-30(42)24(38(7)8)17-22(5)47-35/h12-15,19-24,26-27,29-36,41-43H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24-,26+,27+,29+,30+,31+,32+,33+,34-,35-,36+,37-/m0/s1", + "name": "Mycinamicin II", + "names": [ + "Mirosamicin", + "Mycinamicin II" + ] + }, + { + "compound_id": "C15681", + "inchi": "InChI=1S/C36H59NO11/c1-10-28-25(19-44-36-34(43-9)32(42)30(40)24(6)46-36)13-11-12-14-27(38)21(3)17-22(4)33(20(2)15-16-29(39)47-28)48-35-31(41)26(37(7)8)18-23(5)45-35/h11-16,20-26,28,30-36,40-42H,10,17-19H2,1-9H3/b13-11+,14-12+,16-15+/t20-,21+,22-,23+,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+/m0/s1", + "name": "Mycinamicin III", + "names": [ + "Mycinamicin III" + ] + }, + { + "compound_id": "C15682", + "inchi": "InChI=1S/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/b12-10+,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27+,29+,30+,31+,32+,33+,34+,35-/m0/s1", + "name": "Mycinamicin VI", + "names": [ + "Mycinamicin VI" + ] + }, + { + "compound_id": "C15683", + "inchi": "InChI=1S/C29H47NO7/c1-8-25-22(17-31)11-9-10-12-24(32)19(3)15-20(4)28(18(2)13-14-26(33)36-25)37-29-27(34)23(30(6)7)16-21(5)35-29/h9-14,18-23,25,27-29,31,34H,8,15-17H2,1-7H3/b11-9+,12-10+,14-13+/t18-,19+,20-,21+,22+,23-,25+,27+,28+,29-/m0/s1", + "name": "Mycinamicin VII", + "names": [ + "Mycinamicin VII" + ] + }, + { + "compound_id": "C15684", + "inchi": "InChI=1S/C29H47NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-23,25,27-29,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,25+,27+,28+,29-/m0/s1", + "name": "Mycinamicin VIII", + "names": [ + "Mycinamicin VIII" + ] + }, + { + "compound_id": "C15685", + "inchi": "InChI=1S/C21H32O4/c1-6-19-14(2)9-7-8-10-18(22)16(4)13-17(5)21(24)15(3)11-12-20(23)25-19/h7-12,14-17,19,21,24H,6,13H2,1-5H3/b9-7+,10-8+,12-11+/t14-,15-,16+,17-,19+,21+/m0/s1", + "name": "Protomycinolide IV", + "names": [ + "Protomycinolide IV" + ] + }, + { + "compound_id": "C15686", + "inchi": "InChI=1S/C64H111N11O20/c1-15-18-19-20-21-22-39-27-48(79)65-40(23-32(4)5)54(84)68-44(28-49(80)81)58(88)75-53(38(14)78)63(93)69-43(26-35(10)11)55(85)66-41(24-33(6)7)56(86)71-46(30-76)59(89)67-42(25-34(8)9)57(87)72-47(31-77)60(90)73-52(37(13)17-3)62(92)74-51(36(12)16-2)61(91)70-45(29-50(82)83)64(94)95-39/h32-47,51-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,89)(H,68,84)(H,69,93)(H,70,91)(H,71,86)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,80,81)(H,82,83)/t36-,37-,38-,39?,40+,41+,42-,43+,44+,45-,46+,47+,51-,52-,53+/m0/s1", + "name": "Arthrofactin", + "names": [ + "Arthrofactin" + ] + }, + { + "compound_id": "C15687", + "inchi": "InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25+,27+/m0/s1", + "name": "Borrelidin", + "names": [ + "Borrelidin" + ] + }, + { + "compound_id": "C15688", + "inchi": "InChI=1S/C30H48N2O4/c1-21-12-8-7-9-13-23(3)20-32-28(34)15-11-10-14-24(4)27(17-16-22(2)18-21)36-29-19-26(33)30(31-6)25(5)35-29/h7-8,10-12,14-16,23-27,29-31,33H,9,13,17-20H2,1-6H3,(H,32,34)/b8-7+,14-10+,15-11+,21-12+,22-16+/t23-,24-,25+,26-,27-,29-,30+/m0/s1", + "name": "Vicenistatin", + "names": [ + "Vicenistatin" + ] + }, + { + "compound_id": "C15689", + "inchi": "InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1", + "name": "Aureothin", + "names": [ + "Aureothin" + ] + }, + { + "compound_id": "C15690", + "inchi": "InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1", + "name": "Salinomycin", + "names": [ + "Salinomycin" + ] + }, + { + "compound_id": "C15691", + "inchi": "InChI=1S/C46H64N8O14/c1-7-24(2)37-46(66)68-26(4)38(52-40(60)31(48-23-55)18-20-35(47)58)43(63)49-32(17-12-27-8-13-29(57)14-9-27)41(61)50-33-19-21-36(59)54(44(33)64)39(25(3)56)45(65)53(5)34(42(62)51-37)22-28-10-15-30(67-6)16-11-28/h8-11,13-16,23-26,31-34,36-39,56-57,59H,7,12,17-22H2,1-6H3,(H2,47,58)(H,48,55)(H,49,63)(H,50,61)(H,51,62)(H,52,60)", + "name": "Anabaenopeptilide 90A", + "names": [ + "Anabaenopeptilide 90A" + ] + }, + { + "compound_id": "C15692", + "inchi": "InChI=1S/C45H61ClN8O14/c1-6-22(2)36-45(67)68-24(4)37(52-39(61)29(48-21-55)14-17-34(47)59)42(64)49-30(13-9-25-7-11-27(57)12-8-25)40(62)50-31-15-18-35(60)54(43(31)65)38(23(3)56)44(66)53(5)32(41(63)51-36)20-26-10-16-33(58)28(46)19-26/h7-8,10-12,16,19,21-24,29-32,35-38,56-58,60H,6,9,13-15,17-18,20H2,1-5H3,(H2,47,59)(H,48,55)(H,49,64)(H,50,62)(H,51,63)(H,52,61)", + "name": "Anabaenopeptilide 90B", + "names": [ + "Anabaenopeptilide 90B" + ] + }, + { + "compound_id": "C15693", + "inchi": "InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+/t14-,17-/m0/s1", + "name": "Barbamide", + "names": [ + "Barbamide" + ] + }, + { + "compound_id": "C15694", + "inchi": "InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1", + "name": "Epothilone C", + "names": [ + "Epothilone C" + ] + }, + { + "compound_id": "C15695", + "inchi": "InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t43-,44+,46-,47+,48-,49-/m1/s1", + "name": "Complestatin", + "names": [ + "Complestatin" + ] + }, + { + "compound_id": "C15696", + "inchi": "InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-10,13,15-16H,1,11H2,2-6H3/b8-7+,17-9+/t13-,15?,16+/m1/s1", + "name": "Melithiazol A", + "names": [ + "Melithiazol A" + ] + }, + { + "compound_id": "C15697", + "inchi": "InChI=1S/C53H80N10O14/c1-9-12-43(67)61-46(31(8)10-2)50(73)60-38-27-77-53(76)39-13-11-18-62(39)51(74)37(22-32-14-16-33(64)17-15-32)59-48(71)36(23-42(54)66)57-45(69)25-55-47(70)35(20-29(5)6)56-44(68)24-41(65)34(19-28(3)4)58-49(72)40-21-30(7)26-63(40)52(38)75/h14-17,28-31,34-40,46,64H,9-13,18-27H2,1-8H3,(H2,54,66)(H,55,70)(H,56,68)(H,57,69)(H,58,72)(H,59,71)(H,60,73)(H,61,67)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1", + "name": "Nostopeptolide A1", + "names": [ + "Nostopeptolide A1" + ] + }, + { + "compound_id": "C15698", + "inchi": "InChI=1S/C52H78N10O14/c1-9-11-42(66)60-45(29(6)7)49(72)59-37-26-76-52(75)38-12-10-17-61(38)50(73)36(21-31-13-15-32(63)16-14-31)58-47(70)35(22-41(53)65)56-44(68)24-54-46(69)34(19-28(4)5)55-43(67)23-40(64)33(18-27(2)3)57-48(71)39-20-30(8)25-62(39)51(37)74/h13-16,27-30,33-39,45,63H,9-12,17-26H2,1-8H3,(H2,53,65)(H,54,69)(H,55,67)(H,56,68)(H,57,71)(H,58,70)(H,59,72)(H,60,66)/t30-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1", + "name": "Nostopeptolide A2", + "names": [ + "Nostopeptolide A2" + ] + }, + { + "compound_id": "C15699", + "inchi": "InChI=1S/C9H19N3O3/c10-5-1-2-6-12-8(13)4-3-7(11)9(14)15/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1", + "name": "gamma-L-Glutamylputrescine", + "names": [ + "gamma-L-Glutamylputrescine" + ] + }, + { + "compound_id": "C15700", + "inchi": "InChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/t7-/m0/s1", + "name": "gamma-Glutamyl-gamma-aminobutyraldehyde", + "names": [ + "gamma-Glutamyl-gamma-aminobutyraldehyde" + ] + }, + { + "compound_id": "C15701", + "inchi": "InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10+", + "name": "Syringolin A", + "names": [ + "Syringolin A" + ] + }, + { + "compound_id": "C15702", + "inchi": "InChI=1S/C43H65N5O10S/c1-10-27(6)38(46-40(53)34-13-11-12-18-47(34)9)42(54)48(24-57-37(51)19-25(2)3)35(26(4)5)22-36(58-29(8)49)41-45-33(23-59-41)39(52)44-31(20-28(7)43(55)56)21-30-14-16-32(50)17-15-30/h14-17,23,25-28,31,34-36,38,50H,10-13,18-22,24H2,1-9H3,(H,44,52)(H,46,53)(H,55,56)/t27-,28-,31+,34+,35+,36+,38-/m0/s1", + "name": "Tubulysin A", + "names": [ + "Tubulysin A" + ] + }, + { + "compound_id": "C15703", + "inchi": "InChI=1S/C42H63N5O10S/c1-9-13-36(50)56-24-47(41(53)37(26(5)10-2)45-39(52)33-14-11-12-19-46(33)8)34(25(3)4)22-35(57-28(7)48)40-44-32(23-58-40)38(51)43-30(20-27(6)42(54)55)21-29-15-17-31(49)18-16-29/h15-18,23,25-27,30,33-35,37,49H,9-14,19-22,24H2,1-8H3,(H,43,51)(H,45,52)(H,54,55)/t26-,27-,30+,33+,34+,35+,37-/m0/s1", + "name": "Tubulysin B", + "names": [ + "Tubulysin B" + ] + }, + { + "compound_id": "C15704", + "inchi": "InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1", + "name": "Tubulysin D", + "names": [ + "Tubulysin D" + ] + }, + { + "compound_id": "C15705", + "inchi": "InChI=1S/C42H63N5O9S/c1-9-16-36(49)55-25-47(41(52)37(27(5)10-2)45-39(51)33-19-14-15-20-46(33)8)34(26(3)4)23-35(56-29(7)48)40-44-32(24-57-40)38(50)43-31(21-28(6)42(53)54)22-30-17-12-11-13-18-30/h11-13,17-18,24,26-28,31,33-35,37H,9-10,14-16,19-23,25H2,1-8H3,(H,43,50)(H,45,51)(H,53,54)/t27-,28-,31+,33+,34+,35+,37-/m0/s1", + "name": "Tubulysin E", + "names": [ + "Tubulysin E" + ] + }, + { + "compound_id": "C15706", + "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-37(44)39(46-8)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37-,38+,39+,40+/m1/s1", + "name": "Spinosyn H", + "names": [ + "Spinosyn H" + ] + }, + { + "compound_id": "C15707", + "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)37(44)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37-,38+,39-,40+/m1/s1", + "name": "Spinosyn J", + "names": [ + "Spinosyn J" + ] + }, + { + "compound_id": "C15708", + "inchi": "InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1", + "name": "Spinosyn K", + "names": [ + "Spinosyn K" + ] + }, + { + "compound_id": "C15709", + "inchi": "InChI=1S/C39H61NO10/c1-8-24-10-9-11-32(50-34-15-14-31(40(5)6)21(3)46-34)20(2)35(42)30-18-28-26(29(30)19-33(41)48-24)13-12-23-16-25(17-27(23)28)49-39-38(45-7)37(44)36(43)22(4)47-39/h12-13,18,20-29,31-32,34,36-39,43-44H,8-11,14-17,19H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,31+,32+,34+,36+,37-,38-,39+/m1/s1", + "name": "Spinosyn P", + "names": [ + "Spinosyn P" + ] + }, + { + "compound_id": "C15710", + "inchi": "InChI=1S/C25H40NO8P/c1-2-20-12-13-24(28)33-22(20)14-15-25(29,16-17-26)23(34-35(30,31)32)18-21(27)11-7-6-10-19-8-4-3-5-9-19/h6-7,10-15,19-23,27,29H,2-5,8-9,16-18,26H2,1H3,(H2,30,31,32)/b10-6-,11-7-,15-14+/t20-,21-,22-,23+,25-/m0/s1", + "name": "Phoslactomycin B", + "names": [ + "Phoslactomycin B" + ] + }, + { + "compound_id": "C15711", + "inchi": "InChI=1S/C66H73Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,65,71,78-81,83-86H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44?,46+,47+,48?,49+,50-,51+,52+,53-,54+,55?,65-,66-/m0/s1", + "name": "Balhimycin", + "names": [ + "Balhimycin" + ] + }, + { + "compound_id": "C15712", + "inchi": "InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3/b8-7+,17-9+/t13-,16+/m1/s1", + "name": "Melithiazole E", + "names": [ + "Cystothiazole A", + "Melithiazole E" + ] + }, + { + "compound_id": "C15713", + "inchi": "InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1", + "name": "Nodularin", + "names": [ + "Nodularin" + ] + }, + { + "compound_id": "C15714", + "inchi": "InChI=1S/C38H54N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(46)44(7)33-28(6)52-38(51)29(22-23-31(39)45)42-35(48)27(5)40-34(47)26(4)41-36(49)30(24-25(2)3)43-37(33)50/h8-21,25-30,33H,22-24H2,1-7H3,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,50)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+/t26-,27-,28+,29-,30-,33-/m0/s1", + "name": "Myxochromide S1", + "names": [ + "Myxochromide S1" + ] + }, + { + "compound_id": "C15715", + "inchi": "InChI=1S/C39H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(47)45(7)34-29(6)53-39(52)30(23-24-32(40)46)43-36(49)28(5)41-35(48)27(4)42-37(50)31(25-26(2)3)44-38(34)51/h9-22,26-31,34H,8,23-25H2,1-7H3,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/b10-9+,12-11+,14-13+,16-15+,18-17+,20-19+,22-21+/t27-,28-,29+,30-,31-,34-/m0/s1", + "name": "Myxochromide S2", + "names": [ + "Myxochromide S2" + ] + }, + { + "compound_id": "C15716", + "inchi": "InChI=1S/C40H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(48)46(7)35-30(6)54-40(53)31(24-25-33(41)47)44-37(50)29(5)42-36(49)28(4)43-38(51)32(26-27(2)3)45-39(35)52/h8-23,27-32,35H,24-26H2,1-7H3,(H2,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+/t28-,29-,30+,31-,32-,35-/m0/s1", + "name": "Myxochromide S3", + "names": [ + "Myxochromide S3" + ] + }, + { + "compound_id": "C15717", + "inchi": "InChI=1S/C70H108N2O20/c1-46(27-20-16-12-8-5-6-11-15-19-23-35-64(86)72-65-60(83)36-37-61(65)84)66(87)48(3)59(82)33-21-17-13-9-7-10-14-18-22-34-63(92-70-69(90)68(89)67(88)49(4)91-70)47(2)62(85)45-58(81)44-57(80)42-53(76)31-25-30-52(75)41-56(79)43-55(78)40-51(74)29-24-28-50(73)39-54(77)32-26-38-71/h5-11,13-15,17-25,27,29,31,33,35,46-59,63,66-70,73-83,87-90H,12,16,26,28,30,32,34,36-45,71H2,1-4H3,(H,72,86)/b8-5+,9-7+,11-6+,14-10+,17-13+,19-15+,22-18+,27-20+,29-24+,31-25+,33-21+,35-23+/t46?,47?,48?,49-,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,63-,66?,67-,68+,69+,70-/m0/s1", + "name": "ECO 02301", + "names": [ + "ECO 02301" + ] + }, + { + "compound_id": "C15718", + "inchi": "InChI=1S/C55H83N17O22/c1-27(77)43-53(91)59-15-4-3-8-30(46(84)63-33(11-7-19-71(94)26-76)49(87)68-44(28(2)78)54(92)69-43)62-47(85)32(10-6-18-70(93)25-75)65-50(88)35(23-73)66-48(86)31(9-5-16-60-55(56)57)64-51(89)36(24-74)67-52(90)37-14-17-58-45-34(61-41(81)12-13-42(82)83)20-29-21-39(79)40(80)22-38(29)72(37)45/h20-22,25-28,30-33,35-37,43-44,73-74,77-80,93-94H,3-19,23-24H2,1-2H3,(H,59,91)(H,61,81)(H,62,85)(H,63,84)(H,64,89)(H,65,88)(H,66,86)(H,67,90)(H,68,87)(H,69,92)(H,82,83)(H4,56,57,60)/t27-,28-,30+,31+,32+,33+,35-,36-,37+,43+,44+/m1/s1", + "name": "Pyoverdine I", + "names": [ + "Pyoverdine I" + ] + }, + { + "compound_id": "C15719", + "inchi": "InChI=1S/C21H39N7O11/c1-13(31)17(25-19(33)15(23)6-3-9-27(38)12-30)20(34)28(39)10-4-7-16(21(35)36)24-18(32)14(22)5-2-8-26(37)11-29/h11-17,31,37-39H,2-10,22-23H2,1H3,(H,24,32)(H,25,33)(H,35,36)/t13-,14-,15-,16+,17-/m1/s1", + "name": "Coelichelin", + "names": [ + "Coelichelin" + ] + }, + { + "compound_id": "C15720", + "inchi": "InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)", + "name": "Lyngbyatoxin", + "names": [ + "Lyngbyatoxin" + ] + }, + { + "compound_id": "C15721", + "inchi": "InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37-,38-,39-,40-/m0/s1", + "name": "Triostin A", + "names": [ + "Triostin A" + ] + }, + { + "compound_id": "C15722", + "inchi": "InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27?,28?,35-,36-,37?,38?,39?,40?,51?/m1/s1", + "name": "Quinomycin A", + "names": [ + "Echinomycin", + "Quinomycin A" + ] + }, + { + "compound_id": "C15723", + "inchi": "InChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,50)(H,41,52)(H,42,49)(H,43,53)(H,44,51)/b39-16+/t21-,22-,24-,26+,27-,28-,29-,32-/m0/s1", + "name": "Nostocyclopeptide A1", + "names": [ + "Nostocyclopeptide A1" + ] + }, + { + "compound_id": "C15724", + "inchi": "InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19+/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1", + "name": "Nostocyclopeptide A2", + "names": [ + "Nostocyclopeptide A2" + ] + }, + { + "compound_id": "C15725", + "inchi": "InChI=1S/C41H56N8O9/c1-5-25(4)36-40(57)47-32(22-50)41(58)49-21-24(3)16-33(49)39(56)45-28(17-26-8-6-23(2)7-9-26)19-43-31(18-27-10-12-29(51)13-11-27)37(54)44-20-35(53)46-30(38(55)48-36)14-15-34(42)52/h6-13,19,24-25,28,30-33,36,50-51H,5,14-18,20-22H2,1-4H3,(H2,42,52)(H,44,54)(H,45,56)(H,46,53)(H,47,57)(H,48,55)/b43-19+/t24-,25-,28-,30+,31-,32-,33-,36-/m0/s1", + "name": "Nostocyclopeptide A3", + "names": [ + "Nostocyclopeptide A3" + ] + }, + { + "compound_id": "C15726", + "inchi": "InChI=1S/C13H28N6O8/c14-4(3-20)6(21)1-7(22)8(15)9(23)10(24)12(26)19-5(11(16)25)2-18-13(17)27/h4-10,20-24H,1-3,14-15H2,(H2,16,25)(H,19,26)(H3,17,18,27)/t4-,5+,6+,7+,8+,9+,10-/m1/s1", + "name": "Zwittermicin A", + "names": [ + "Zwittermicin A" + ] + }, + { + "compound_id": "C15727", + "inchi": "InChI=1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)", + "name": "Thiocoraline", + "names": [ + "Thiocoraline" + ] + }, + { + "compound_id": "C15728", + "inchi": "InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19+,24-17+,25-20-,26-18-,31-27+/t32?,33?,34?,35?,36?,37-,39?,40?,41-,42?,44-,45?,46+,47-,49+/m1/s1", + "name": "Chivosazole A", + "names": [ + "Chivosazole A" + ] + }, + { + "compound_id": "C15729", + "inchi": "InChI=1S/C48H69NO12/c1-30-20-14-10-13-17-25-42(54)61-44(34(5)39(52)27-33(4)50)31(2)21-15-11-12-16-23-38(51)28-40(53)35(6)47-49-37(29-58-47)22-18-19-24-41(32(3)26-30)60-48-46(57-9)45(56-8)43(55)36(7)59-48/h10-26,29,31-36,38-41,43-46,48,50-53,55H,27-28H2,1-9H3/b12-11+,13-10+,20-14-,21-15-,22-18+,23-16+,24-19-,25-17-,30-26+/t31?,32?,33?,34?,35?,36-,38?,39?,40?,41-,43-,44?,45+,46-,48+/m1/s1", + "name": "Chivosazole B", + "names": [ + "Chivosazole B" + ] + }, + { + "compound_id": "C15730", + "inchi": "InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(52)60-45(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-40(56-8)34(6)46-48-36(28-57-46)21-17-18-23-39(31(3)25-29)59-47-44(55)43(54)42(53)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-51,53-55H,26-27H2,1-8H3/b11-10+,12-9+,19-13-,20-14-,21-17+,22-15+,23-18-,24-16-,29-25+/t30?,31?,32?,33?,34?,35-,37?,38?,39-,40?,42-,43+,44-,45?,47+/m1/s1", + "name": "Chivosazole C", + "names": [ + "Chivosazole C" + ] + }, + { + "compound_id": "C15731", + "inchi": "InChI=1S/C47H67NO12/c1-29-19-13-9-12-16-24-41(53)60-44(33(5)38(51)26-32(4)49)30(2)20-14-10-11-15-22-37(50)27-39(52)34(6)46-48-36(28-57-46)21-17-18-23-40(31(3)25-29)59-47-43(55)45(56-8)42(54)35(7)58-47/h9-25,28,30-35,37-40,42-45,47,49-52,54-55H,26-27H2,1-8H3/b11-10+,12-9+,19-13-,20-14-,21-17+,22-15+,23-18-,24-16-,29-25+/t30?,31?,32?,33?,34?,35-,37?,38?,39?,40-,42-,43-,44?,45+,47+/m1/s1", + "name": "Chivosazole D", + "names": [ + "Chivosazole D" + ] + }, + { + "compound_id": "C15732", + "inchi": "InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+/t29?,30?,31?,32?,33?,34-,36?,37?,38?,39-,41-,42+,43-,44?,46+/m1/s1", + "name": "Chivosazole E", + "names": [ + "Chivosazole E" + ] + }, + { + "compound_id": "C15733", + "inchi": "InChI=1S/C41H57NO8/c1-28-18-12-8-11-15-23-39(47)50-40(32(5)37(46)25-31(4)43)29(2)19-13-9-10-14-21-35(44)26-38(48-7)33(6)41-42-34(27-49-41)20-16-17-22-36(45)30(3)24-28/h8-24,27,29-33,35-38,40,43-46H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+", + "name": "Chivosazole F", + "names": [ + "Chivosazole F" + ] + }, + { + "compound_id": "C15734", + "inchi": "InChI=1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/s1", + "name": "Patellamide A", + "names": [ + "Patellamide A" + ] + }, + { + "compound_id": "C15735", + "inchi": "InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19+,20+,21+,23+,26-,27-,28-,29-/m0/s1", + "name": "Patellamide C", + "names": [ + "Patellamide C" + ] + }, + { + "compound_id": "C15736", + "inchi": "InChI=1S/C38H48N8O6S2/c1-8-19(4)28-36-46-30(22(7)52-36)34(50)41-25(15-23-12-10-9-11-13-23)38-43-26(17-54-38)31(47)40-24(14-18(2)3)35-45-29(21(6)51-35)33(49)39-20(5)37-42-27(16-53-37)32(48)44-28/h9-13,16-22,24-25,28-30H,8,14-15H2,1-7H3,(H,39,49)(H,40,47)(H,41,50)(H,44,48)/t19-,20+,21+,22+,24-,25+,28-,29-,30-/m0/s1", + "name": "Patellamide B", + "names": [ + "Patellamide B" + ] + }, + { + "compound_id": "C15737", + "inchi": "InChI=1S/C38H48N8O6S2/c1-8-18(3)27-35-45-29(21(6)51-35)33(49)39-20(5)37-41-25(16-53-37)31(47)43-28(19(4)9-2)36-46-30(22(7)52-36)34(50)40-24(15-23-13-11-10-12-14-23)38-42-26(17-54-38)32(48)44-27/h10-14,16-22,24,27-30H,8-9,15H2,1-7H3,(H,39,49)(H,40,50)(H,43,47)(H,44,48)/t18-,19-,20+,21+,22+,24+,27-,28-,29-,30-/m0/s1", + "name": "Patellamide D", + "names": [ + "Patellamide D" + ] + }, + { + "compound_id": "C15738", + "inchi": "InChI=1S/C36H52N8O6S2/c1-11-17(7)25-33-43-27(19(9)49-33)31(47)39-24(16(5)6)36-38-22(14-52-36)30(46)42-26(18(8)12-2)34-44-28(20(10)50-34)32(48)40-23(15(3)4)35-37-21(13-51-35)29(45)41-25/h13-20,23-28H,11-12H2,1-10H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t17-,18-,19+,20+,23+,24+,25-,26-,27-,28-/m0/s1", + "name": "Ascidiacyclamide", + "names": [ + "Ascidiacyclamide" + ] + }, + { + "compound_id": "C15739", + "inchi": "InChI=1S/C27H42N6O6/c1-10(2)16-25-31-20(13(7)37-25)23(35)29-18(12(5)6)27-33-21(15(9)39-27)24(36)30-17(11(3)4)26-32-19(14(8)38-26)22(34)28-16/h10-21H,1-9H3,(H,28,34)(H,29,35)(H,30,36)/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1", + "name": "Westiellamide", + "names": [ + "Westiellamide" + ] + }, + { + "compound_id": "C15740", + "inchi": "InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1", + "name": "Enniatin B", + "names": [ + "Enniatin B" + ] + }, + { + "compound_id": "C15741", + "inchi": "InChI=1S/C55H54N16O16S2/c1-13-30-51-69-37(27(10)86-51)48(82)60-23(6)43(77)61-24(7)50-68-36(26(9)85-50)39-29(14-15-31(62-39)44(78)59-22(5)42(76)58-21(4)41(75)57-20(3)40(56)74)54-65-34(17-88-54)46(80)67-35(25(8)73)47(81)64-32(16-19(2)72)52-70-38(28(11)87-52)49(83)71-53(84-12)55-66-33(18-89-55)45(79)63-30/h13-19,25,35,53,72-73H,3-7H2,1-2,8-12H3,(H2,56,74)(H,57,75)(H,58,76)(H,59,78)(H,60,82)(H,61,77)(H,63,79)(H,64,81)(H,67,80)(H,71,83)/b30-13-,32-16-", + "name": "Methylsulfomycin I", + "names": [ + "Methylsulfomycin I" + ] + }, + { + "compound_id": "C15742", + "inchi": "InChI=1S/C46H72N10O12/c1-8-9-11-18-34(57)50-31(24-36(59)60)40(62)54-38-27(6)68-45(67)37(26(4)5)53-41(63)32(23-28-15-12-10-13-16-28)55(7)44(66)33(22-25(2)3)56-35(58)20-19-30(43(56)65)52-39(61)29(51-42(38)64)17-14-21-49-46(47)48/h10,12-13,15-16,25-27,29-33,35,37-38,58H,8-9,11,14,17-24H2,1-7H3,(H,50,57)(H,51,64)(H,52,61)(H,53,63)(H,54,62)(H,59,60)(H4,47,48,49)", + "name": "Cyanopeptolin A", + "names": [ + "Cyanopeptolin A" + ] + }, + { + "compound_id": "C15743", + "inchi": "InChI=1S/C40H63N9O14S/c1-7-21(3)30-39(58)63-23(5)31(47-35(54)28(50)20-62-64(59,60)61)36(55)44-25(15-12-18-43-40(41)42)33(52)45-26-16-17-29(51)49(37(26)56)32(22(4)8-2)38(57)48(6)27(34(53)46-30)19-24-13-10-9-11-14-24/h9-11,13-14,21-23,25-32,50-51H,7-8,12,15-20H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)", + "name": "Cyanopeptolin S", + "names": [ + "Cyanopeptolin S" + ] + }, + { + "compound_id": "C15744", + "inchi": "InChI=1S/C56H75N9O17/c1-7-28(2)44-56(81)82-31(5)46(63-48(73)37(21-23-42(57)71)58-52(77)45(29(3)66)62-51(76)41(70)27-34-15-19-36(69)20-16-34)53(78)60-39(25-33-13-17-35(68)18-14-33)49(74)59-38-22-24-43(72)65(54(38)79)47(30(4)67)55(80)64(6)40(50(75)61-44)26-32-11-9-8-10-12-32/h8-20,28-31,37-41,43-47,66-70,72H,7,21-27H2,1-6H3,(H2,57,71)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,73)/t28-,29+,30+,31+,37-,38-,39-,40-,41+,43+,44-,45-,46-,47-/m0/s1", + "name": "Aeruginopeptin 95A", + "names": [ + "Aeruginopeptin 95A" + ] + }, + { + "compound_id": "C15745", + "inchi": "InChI=1S/C56H79N9O17/c1-7-28(2)44-56(81)82-31(5)46(63-48(73)37(21-23-42(57)71)58-52(77)45(29(3)66)62-51(76)41(70)27-34-15-19-36(69)20-16-34)53(78)60-39(25-33-13-17-35(68)18-14-33)49(74)59-38-22-24-43(72)65(54(38)79)47(30(4)67)55(80)64(6)40(50(75)61-44)26-32-11-9-8-10-12-32/h8-13,15-17,19-20,28-31,33,35,37-41,43-47,66-70,72H,7,14,18,21-27H2,1-6H3,(H2,57,71)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,73)", + "name": "Aeruginopeptin 95B", + "names": [ + "Aeruginopeptin 95B" + ] + }, + { + "compound_id": "C15746", + "inchi": "InChI=1S/C52H68N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-19,27-29,35-39,41-44,61-64,66H,6,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)/t27-,28+,29+,35-,36-,37-,38-,39+,41+,42-,43-,44-/m0/s1", + "name": "Aeruginopeptin 228A", + "names": [ + "Aeruginopeptin 228A" + ] + }, + { + "compound_id": "C15747", + "inchi": "InChI=1S/C52H72N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-12,14-16,18-19,27-29,31,33,35-39,41-44,61-64,66H,6,13,17,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)", + "name": "Aeruginopeptin 228B", + "names": [ + "Aeruginopeptin 228B" + ] + }, + { + "compound_id": "C15748", + "inchi": "InChI=1S/C54H72N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8-19,28-30,37-42,44-46,63-66,68H,7,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)/t29-,30+,37-,38-,39-,40-,41-,42+,44+,45-,46-/m0/s1", + "name": "Aeruginopeptin 917S-A", + "names": [ + "Aeruginopeptin 917S-A", + "Microcystilide A" + ] + }, + { + "compound_id": "C15749", + "inchi": "InChI=1S/C54H76N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8,10-14,16-19,28-31,34,37-42,44-46,63-66,68H,7,9,15,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)", + "name": "Aeruginopeptin 917S-B", + "names": [ + "Aeruginopeptin 917S-B" + ] + }, + { + "compound_id": "C15750", + "inchi": "InChI=1S/C51H74N8O14/c1-9-28(6)42-51(72)73-29(7)43(57-44(65)34(18-20-40(52)63)53-47(68)39(62)25-31-12-16-33(61)17-13-31)48(69)55-36(22-26(2)3)45(66)54-35-19-21-41(64)59(49(35)70)38(23-27(4)5)50(71)58(8)37(46(67)56-42)24-30-10-14-32(60)15-11-30/h10-17,26-29,34-39,41-43,60-62,64H,9,18-25H2,1-8H3,(H2,52,63)(H,53,68)(H,54,66)(H,55,69)(H,56,67)(H,57,65)/t28-,29+,34-,35-,36-,37-,38-,39+,41+,42-,43-/m0/s1", + "name": "Aeruginopeptin 917S-C", + "names": [ + "Aeruginopeptin 917S-C" + ] + }, + { + "compound_id": "C15751", + "inchi": "InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)", + "name": "Spicamycin", + "names": [ + "Spicamycin" + ] + }, + { + "compound_id": "C15752", + "inchi": "InChI=1S/C67H107NO18/c1-6-7-25-49-26-18-19-34-59(77)47(4)63(80)45(2)24-16-14-12-10-8-9-11-13-15-17-35-62(79)85-58(33-22-29-50(69)27-20-28-51(70)32-23-38-68)43-56(75)41-54(73)39-52(71)30-21-31-53(72)40-55(74)42-57(76)44-60(78)46(3)61(37-36-49)86-67-66(83)65(82)64(81)48(5)84-67/h6,8-16,19-22,24,27,31,33-34,36,45-48,50-59,61,63-67,69-77,80-83H,1,7,17-18,23,25-26,28-30,32,35,37-44,68H2,2-5H3/b10-8+,11-9+,14-12+,15-13+,24-16+,27-20+,31-21+,33-22+,34-19+,49-36-", + "name": "Lienomycin", + "names": [ + "Lienomycin" + ] + }, + { + "compound_id": "C15753", + "inchi": "InChI=1S/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9+,14-8+/t13-,15+,16-,18+/m0/s1", + "name": "Dihydroalbocycline", + "names": [ + "Dihydroalbocycline" + ] + }, + { + "compound_id": "C15754", + "inchi": "InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)/t20-,23+,25+,26-,27-,30-/m0/s1", + "name": "Septacidin", + "names": [ + "Septacidin" + ] + }, + { + "compound_id": "C15755", + "inchi": "InChI=1S/C28H49NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h15-20,22,24-25,27,32,34H,10-14H2,1-9H3", + "name": "Dihydropicromycin", + "names": [ + "Dihydropicromycin" + ] + }, + { + "compound_id": "C15756", + "inchi": "InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10+,28-16-", + "name": "Antibiotic TA", + "names": [ + "Antibiotic TA" + ] + }, + { + "compound_id": "C15757", + "inchi": "InChI=1S/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26+,27+,28+/m0/s1", + "name": "Enniatin B4", + "names": [ + "Enniatin B4", + "Enniatin D" + ] + }, + { + "compound_id": "C15758", + "inchi": "InChI=1S/C25H33NO7/c1-14-6-9-18(28)10-8-15(2)12-21(26-23(31)17(4)27)25(5)22(30)16(3)20(33-24(25)32)13-19(29)11-7-14/h6-8,10-12,16,18-21,28-29H,9,13H2,1-5H3,(H,26,31)/b10-8+,11-7+,14-6+,15-12+/t16-,18+,19-,20-,21-,25+/m1/s1", + "name": "Lankacidin C", + "names": [ + "Lankacidin C" + ] + }, + { + "compound_id": "C15759", + "inchi": "InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3", + "name": "Hedamycin", + "names": [ + "Hedamycin" + ] + }, + { + "compound_id": "C15760", + "inchi": "InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17?,18+,19-,20-,21-,23+,25-/m1/s1", + "name": "Pederin", + "names": [ + "Pederin" + ] + }, + { + "compound_id": "C15761", + "inchi": "InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42?,43-,46-/m1/s1", + "name": "Concanamycin A", + "names": [ + "Concanamycin A" + ] + }, + { + "compound_id": "C15762", + "inchi": "InChI=1S/C39H63N5O12/c1-23-21-39(52-7,56-25(3)24(23)2)32(47)34(48)44-35-31-30(53-22-54-35)33(51-6)38(4,5)28(55-31)20-26(45)16-13-11-9-8-10-12-14-18-29(46)43-27(36(49)50)17-15-19-42-37(40)41/h8-10,12,14,18,24-28,30-33,35,45,47H,1,11,13,15-17,19-22H2,2-7H3,(H,43,46)(H,44,48)(H,49,50)(H4,40,41,42)/b9-8+,12-10+,18-14+/t24-,25-,26?,27?,28-,30+,31+,32-,33-,35+,39-/m1/s1", + "name": "Onnamide A", + "names": [ + "Onnamide", + "Onnamide A" + ] + }, + { + "compound_id": "C15763", + "inchi": "InChI=1S/C52H60N10O14S2/c1-25-19-51(25)49(73)75-21-33(57-43(67)39-37(63)17-29-13-9-11-15-31(29)55-39)41(65)53-28(4)46(70)60(6)36-24-78-77-23-35(47(71)61(51)7)59(5)45(69)27(3)54-42(66)34(22-76-50(74)52(20-26(52)2)62(8)48(36)72)58-44(68)40-38(64)18-30-14-10-12-16-32(30)56-40/h9-18,25-28,33-36,63-64H,19-24H2,1-8H3,(H,53,65)(H,54,66)(H,57,67)(H,58,68)", + "name": "SW 163C", + "names": [ + "SW 163C" + ] + }, + { + "compound_id": "C15764", + "inchi": "InChI=1S/C53H62N10O14S2/c1-25-20-52(25)50(74)76-22-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)40-48(73)63(8)53(21-26(53)2)51(75)77-23-33(58-43(68)38-36(64)18-29-14-10-12-16-31(29)56-38)41(66)54-27(3)45(70)60(5)35(47(72)62(52)7)24-79-49(40)78-9/h10-19,25-28,33-35,40,49,64-65H,20-24H2,1-9H3,(H,54,66)(H,55,67)(H,58,68)(H,59,69)", + "name": "UK 63598", + "names": [ + "UK 63598" + ] + }, + { + "compound_id": "C15765", + "inchi": "InChI=1S/C12H16O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h6-9H,2-5H2,1H3,(H,14,15)/t7-,8+,9+/m1/s1", + "name": "Coronafacic acid", + "names": [ + "Coronafacic acid" + ] + }, + { + "compound_id": "C15766", + "inchi": "InChI=1S/C48H76O12/c1-11-38(49)36(10)41(52)26-43(54)42(53)23-29(3)22-32(6)45-27-40(51)31(5)16-14-12-13-15-30(4)39(50)25-37-18-17-35(9)48(58,60-37)20-19-28(2)21-33(7)46(56)44(55)24-34(8)47(57)59-45/h12-14,16,19,21,23-24,30-32,35-38,40-43,45-46,49,51-54,56,58H,11,15,17-18,20,22,25-27H2,1-10H3/b13-12+,16-14+,28-19-,29-23+,33-21+,34-24+", + "name": "Halstoctacosanolide A", + "names": [ + "Halstoctacosanolide A" + ] + }, + { + "compound_id": "C15767", + "inchi": "InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1", + "name": "gamma-Glutamyl-gamma-aminobutyrate", + "names": [ + "4-(Glutamylamino)butanoate", + "gamma-Glutamyl-GABA", + "gamma-Glutamyl-gamma-aminobutyrate" + ] + }, + { + "compound_id": "C15768", + "inchi": "InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14?,15?/m1/s1", + "name": "(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one", + "names": [ + "(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one", + "DIMBOA glucoside" + ] + }, + { + "compound_id": "C15769", + "inchi": "InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)", + "name": "HBOA", + "names": [ + "2-Hydroxy-1,4-benzoxazin-3-one", + "HBOA" + ] + }, + { + "compound_id": "C15770", + "inchi": "InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H", + "name": "DIBOA", + "names": [ + "2,4-Dihydroxy-1,4-benzoxazin-3-one", + "2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one", + "DIBOA" + ] + }, + { + "compound_id": "C15771", + "inchi": "InChI=1S/C8H7NO5/c10-4-1-2-5-6(3-4)14-8(12)7(11)9(5)13/h1-3,8,10,12-13H", + "name": "TRIBOA", + "names": [ + "2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one", + "TRIBOA" + ] + }, + { + "compound_id": "C15772", + "inchi": "InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14+/m1/s1", + "name": "DIBOA-glucoside", + "names": [ + "2,4-Dihydroxy-1,4-benzoxazin-3-one glucoside", + "DIBOA-glucoside" + ] + }, + { + "compound_id": "C15773", + "inchi": null, + "name": "Bleomycin", + "names": [ + "Bleomycin" + ] + }, + { + "compound_id": "C15774", + "inchi": null, + "name": "Bleomycin A", + "names": [ + "Bleomycin A" + ] + }, + { + "compound_id": "C15775", + "inchi": null, + "name": "Bleomycin B", + "names": [ + "Bleomycin B" + ] + }, + { + "compound_id": "C15776", + "inchi": "InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1", + "name": "4alpha-Methylfecosterol", + "names": [ + "4alpha-Methylfecosterol" + ] + }, + { + "compound_id": "C15777", + "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,26?,27+,28-/m1/s1", + "name": "Episterol", + "names": [ + "Episterol" + ] + }, + { + "compound_id": "C15778", + "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26?,27+,28-/m1/s1", + "name": "5,7,24(28)-Ergostatrienol", + "names": [ + "5,7,24(28)-Ergostatrienol" + ] + }, + { + "compound_id": "C15780", + "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1", + "name": "5-Dehydroepisterol", + "names": [ + "5-Dehydroepisterol" + ] + }, + { + "compound_id": "C15781", + "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23?,24-,25+,26+,27+,28-/m1/s1", + "name": "24-Methylenecholesterol", + "names": [ + "24-Methylenecholesterol" + ] + }, + { + "compound_id": "C15782", + "inchi": "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22?,23+,25?,26?,27?,28+,29-/m1/s1", + "name": "delta7-Avenasterol", + "names": [ + "delta7-Avenasterol" + ] + }, + { + "compound_id": "C15783", + "inchi": "InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25?,26?,27?,28+,29-/m1/s1", + "name": "5-Dehydroavenasterol", + "names": [ + "5-Dehydroavenasterol" + ] + }, + { + "compound_id": "C15784", + "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,22-26,29H,7-16H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1", + "name": "Campest-4-en-3beta-ol", + "names": [ + "(24R)-Ergost-4-en-3beta-ol", + "Campest-4-en-3beta-ol" + ] + }, + { + "compound_id": "C15785", + "inchi": "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23+,24-,25+,26+,27+,28-/m1/s1", + "name": "Campest-4-en-3-one", + "names": [ + "(24R)-Ergost-4-en-3-one", + "Campest-4-en-3-one" + ] + }, + { + "compound_id": "C15786", + "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21+,23+,24-,25?,26+,27+,28-/m1/s1", + "name": "5alpha-Campestan-3-one", + "names": [ + "(24R)-5alpha-Ergostan-3-one", + "5alpha-Campestan-3-one" + ] + }, + { + "compound_id": "C15787", + "inchi": "InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25?,26+,27+,28-/m1/s1", + "name": "Campestanol", + "names": [ + "(24R)-5alpha-Ergostan-3beta-ol", + "5alpha-Campestanol", + "Campestanol" + ] + }, + { + "compound_id": "C15788", + "inchi": "InChI=1S/C28H50O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-26,29-30H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23?,24+,25-,26+,27-,28-/m1/s1", + "name": "6alpha-Hydroxycampestanol", + "names": [ + "6alpha-Hydroxycampestanol" + ] + }, + { + "compound_id": "C15789", + "inchi": "InChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-25,29H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23?,24+,25-,27-,28-/m1/s1", + "name": "6-Oxocampestanol", + "names": [ + "6-Oxocampestanol" + ] + }, + { + "compound_id": "C15790", + "inchi": "InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18+,19+,20+,21-,22?,23+,24-,25+,27-,28-/m1/s1", + "name": "Cathasterone", + "names": [ + "Cathasterone" + ] + }, + { + "compound_id": "C15791", + "inchi": "InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1", + "name": "Teasterone", + "names": [ + "Teasterone" + ] + }, + { + "compound_id": "C15792", + "inchi": "InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1", + "name": "3-Dehydroteasterone", + "names": [ + "3-Dehydroteasterone" + ] + }, + { + "compound_id": "C15793", + "inchi": "InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1", + "name": "Typhasterol", + "names": [ + "Typhasterol" + ] + }, + { + "compound_id": "C15794", + "inchi": "InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19?,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1", + "name": "Castasterone", + "names": [ + "Castasterone" + ] + }, + { + "compound_id": "C15795", + "inchi": "InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-19,21-26,29-30H,8-16H2,1-6H3/t18-,19+,21+,22+,23-,24?,25+,26+,27+,28-/m1/s1", + "name": "22alpha-Hydroxy-campesterol", + "names": [ + "(22S)-22-Hydroxy-campesterol", + "22alpha-Hydroxy-campesterol" + ] + }, + { + "compound_id": "C15796", + "inchi": "InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23-,24?,25+,26+,27+,28-/m1/s1", + "name": "22alpha-Hydroxy-campest-4-en-3-one", + "names": [ + "(22S,24R)-22-Hydroxy-ergost-4 en-3-one", + "22alpha-Hydroxy-campest-4-en-3-one" + ] + }, + { + "compound_id": "C15797", + "inchi": "InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-20,22-26,30H,7-16H2,1-6H3/t18-,19+,20+,22+,23-,24?,25+,26+,27+,28-/m1/s1", + "name": "22alpha-Hydroxy-5alpha-campestan-3-one", + "names": [ + "(22S,24R)-22-Hydroxy-5alpha-ergostan-3-one", + "22alpha-Hydroxy-5alpha-campestan-3-one" + ] + }, + { + "compound_id": "C15798", + "inchi": "InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21+,22+,23-,24?,25+,26+,27+,28-/m1/s1", + "name": "6-Deoxocathasterone", + "names": [ + "6-Deoxocathasterone" + ] + }, + { + "compound_id": "C15799", + "inchi": "InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", + "name": "6-Deoxoteasterone", + "names": [ + "6-Deoxoteasterone" + ] + }, + { + "compound_id": "C15800", + "inchi": "InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", + "name": "3-Dehydro-6-deoxoteasterone", + "names": [ + "3-Dehydro-6-deoxoteasterone" + ] + }, + { + "compound_id": "C15801", + "inchi": "InChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20+,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", + "name": "6-Deoxotyphasterol", + "names": [ + "6-Deoxotyphasterol" + ] + }, + { + "compound_id": "C15802", + "inchi": "InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21?,22-,23-,24+,25+,26+,27+,28-/m0/s1", + "name": "6-Deoxocastasterone", + "names": [ + "6-Deoxocastasterone" + ] + }, + { + "compound_id": "C15803", + "inchi": "InChI=1S/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19?,20-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1", + "name": "6alpha-Hydroxy-castasterone", + "names": [ + "6alpha-Hydroxy-castasterone" + ] + }, + { + "compound_id": "C15804", + "inchi": null, + "name": "p-Hydroxyphenyl lignin", + "names": [ + "p-Hydroxyphenyl lignin" + ] + }, + { + "compound_id": "C15805", + "inchi": null, + "name": "Guaiacyl lignin", + "names": [ + "Guaiacyl lignin" + ] + }, + { + "compound_id": "C15806", + "inchi": null, + "name": "Syringyl lignin", + "names": [ + "Syringyl lignin" + ] + }, + { + "compound_id": "C15807", + "inchi": null, + "name": "5-Hydroxy-guaiacyl lignin", + "names": [ + "5-Hydroxy-guaiacyl lignin" + ] + }, + { + "compound_id": "C15808", + "inchi": "InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24-,25+,27-,28-,29+/m1/s1", + "name": "4alpha-Methylzymosterol-4-carboxylate", + "names": [ + "4alpha-Carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol", + "4alpha-Methylzymosterol-4-carboxylate" + ] + }, + { + "compound_id": "C15809", + "inchi": "InChI=1S/C2H3NO2/c3-1-2(4)5/h1,3H,(H,4,5)", + "name": "Iminoglycine", + "names": [ + "Iminoacetic acid", + "Iminoglycine" + ] + }, + { + "compound_id": "C15810", + "inchi": null, + "name": "C15810", + "names": [ + "C15810", + "Thiamine biosynthesis intermediate 1" + ] + }, + { + "compound_id": "C15811", + "inchi": null, + "name": "[Enzyme]-cysteine", + "names": [ + "Thiamine biosynthesis intermediate 2", + "[Enzyme]-cysteine" + ] + }, + { + "compound_id": "C15812", + "inchi": null, + "name": "[Enzyme]-S-sulfanylcysteine", + "names": [ + "Thiamine biosynthesis intermediate 3", + "[Enzyme]-S-sulfanylcysteine" + ] + }, + { + "compound_id": "C15813", + "inchi": null, + "name": "C15813", + "names": [ + "C15813", + "Thiamine biosynthesis intermediate 4" + ] + }, + { + "compound_id": "C15814", + "inchi": null, + "name": "C15814", + "names": [ + "C15814", + "Thiamine biosynthesis intermediate 5" + ] + }, + { + "compound_id": "C15815", + "inchi": null, + "name": "C15815", + "names": [ + "C15815", + "Thiamine biosynthesis intermediate 6" + ] + }, + { + "compound_id": "C15816", + "inchi": "InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22?,23+,24?,27-,28+/m1/s1", + "name": "3-Keto-4-methylzymosterol", + "names": [ + "3-Keto-4-methylzymosterol" + ] + }, + { + "compound_id": "C15817", + "inchi": "InChI=1S/C40H48N6O8S2.Fe/c1-17-23(7-9-35(47)48)31-14-32-24(8-10-36(49)50)18(2)28(44-32)12-33-38(22(6)56-16-26(42)40(53)54)20(4)30(46-33)13-34-37(21(5)55-15-25(41)39(51)52)19(3)29(45-34)11-27(17)43-31;/h11-14,21-22,25-26H,7-10,15-16,41-42H2,1-6H3,(H6,43,44,45,46,47,48,49,50,51,52,53,54);/q;+2/p-2/b27-11-,28-12-,29-11-,30-13-,31-14-,32-14-,33-12-,34-13-;/t21?,22?,25-,26-;/m0./s1", + "name": "Heme C", + "names": [ + "Heme C" + ] + }, + { + "compound_id": "C15818", + "inchi": "InChI=1S/C18H28O4/c1-3-15(19)13-17(21)18(22-2)12-8-7-11-16(20)14-9-5-4-6-10-14/h4-6,9-10,16-18,20-21H,3,7-8,11-13H2,1-2H3/t16-,17+,18+/m1/s1", + "name": "Soraphen O", + "names": [ + "Soraphen O" + ] + }, + { + "compound_id": "C15819", + "inchi": "InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1", + "name": "FK463", + "names": [ + "FK463", + "Micafungin sodium" + ] + }, + { + "compound_id": "C15820", + "inchi": null, + "name": "Teicoplanin", + "names": [ + "Teicoplanin" + ] + }, + { + "compound_id": "C15821", + "inchi": "InChI=1S/C39H61NO14/c1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(46)33(40)34(45)23(3)51-38)20-31-32(36(47)48)30(44)22-39(50,54-31)21-25(42)16-13-15-24(41)19-29(43)28(5-2)37(49)52-26/h6-12,18,23,25-35,38,42-46,50H,4-5,13-17,19-22,40H2,1-3H3,(H,47,48)/b7-6+,10-8+,11-9+,18-12+/t23-,25+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,38+,39-/m1/s1", + "name": "Rimocidine", + "names": [ + "Rimocidine" + ] + }, + { + "compound_id": "C15822", + "inchi": "InChI=1S/C37H57NO14/c1-4-26-27(41)17-23(39)14-12-15-24(40)19-37(48)20-28(42)30(34(45)46)29(52-37)18-25(51-36-33(44)31(38)32(43)22(3)50-36)16-11-9-7-5-6-8-10-13-21(2)49-35(26)47/h5-11,16,21-22,24-33,36,40-44,48H,4,12-15,17-20,38H2,1-3H3,(H,45,46)/b6-5+,9-7+,10-8+,16-11+/t21-,22-,24+,25+,26+,27-,28+,29+,30-,31+,32-,33+,36+,37-/m1/s1", + "name": "CE-108", + "names": [ + "CE-108" + ] + }, + { + "compound_id": "C15823", + "inchi": "InChI=1S/C27H41NO6/c1-16-10-20-13-21(15-22(29)14-20)28-27(32)17(2)8-7-9-23(33-5)25(30)18(3)12-19(4)26(31)24(11-16)34-6/h8,12-16,19,23-26,29-31H,7,9-11H2,1-6H3,(H,28,32)/b17-8+,18-12+/t16-,19?,23+,24+,25+,26-/m1/s1", + "name": "Progeldanamycin", + "names": [ + "Progeldanamycin" + ] + }, + { + "compound_id": "C15824", + "inchi": "InChI=1S/C32H51N11O13S/c1-14(33)24(48)39-15(2)25(49)40-16(3)26(50)41-19(7-5-9-37-31(35)36)20(45)10-22(47)56-11-17-12-57-30-32(38-13-44,29(55)43(30)23(17)28(53)54)42-21(46)8-4-6-18(34)27(51)52/h13-16,18-20,30,45H,4-12,33-34H2,1-3H3,(H,38,44)(H,39,48)(H,40,49)(H,41,50)(H,42,46)(H,51,52)(H,53,54)(H4,35,36,37)/t14-,15-,16-,18+,19-,20+,30+,32+/m0/s1", + "name": "Cephabacin F3", + "names": [ + "Cephabacin", + "Cephabacin F3" + ] + }, + { + "compound_id": "C15825", + "inchi": null, + "name": "BT1583", + "names": [ + "BT1583" + ] + }, + { + "compound_id": "C15826", + "inchi": null, + "name": "Jamaicamide", + "names": [ + "Jamaicamide" + ] + }, + { + "compound_id": "C15827", + "inchi": null, + "name": "Obscurin", + "names": [ + "Obscurin" + ] + }, + { + "compound_id": "C15828", + "inchi": null, + "name": "Syringopeptin", + "names": [ + "Syringopeptin" + ] + }, + { + "compound_id": "C15829", + "inchi": null, + "name": "Glycopeptidelipid", + "names": [ + "Glycopeptidelipid" + ] + }, + { + "compound_id": "C15830", + "inchi": null, + "name": "Gramicidin A", + "names": [ + "Gramicidin A" + ] + }, + { + "compound_id": "C15831", + "inchi": null, + "name": "A54145", + "names": [ + "A54145" + ] + }, + { + "compound_id": "C15834", + "inchi": "InChI=1S/C43H70O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-31,33-34,36-38,45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1", + "name": "A28086B", + "names": [ + "A28086B", + "Narasin B" + ] + }, + { + "compound_id": "C15835", + "inchi": null, + "name": "Axenomycin", + "names": [ + "Axenomycin" + ] + }, + { + "compound_id": "C15838", + "inchi": null, + "name": "TMC-151", + "names": [ + "TMC-151" + ] + }, + { + "compound_id": "C15839", + "inchi": null, + "name": "Antibiotic K41", + "names": [ + "Antibiotic K41" + ] + }, + { + "compound_id": "C15840", + "inchi": null, + "name": "Neocarzilin", + "names": [ + "Neocarzilin" + ] + }, + { + "compound_id": "C15841", + "inchi": null, + "name": "Luzopeptin", + "names": [ + "Luzopeptin" + ] + }, + { + "compound_id": "C15842", + "inchi": "InChI=1S/C32H45NO9/c1-19(2)31(42-27-18-25(35)29(38)22(5)41-27)21(4)17-20(3)13-11-9-7-8-10-12-14-24(34)28-30(39)23(15-16-26(36)37)33(6)32(28)40/h7-14,17,19,21-23,25,27,29,31,35,38-39H,15-16,18H2,1-6H3,(H,36,37)/b9-7+,10-8+,13-11+,14-12+,20-17+/t21?,22-,23?,25+,27+,29-,31-/m1/s1", + "name": "Lipomycin", + "names": [ + "Lipomycin", + "alpha-Lipomycin" + ] + }, + { + "compound_id": "C15844", + "inchi": "InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42+,45-,46+,47+,48+,49+,50+,51-,52-,53+,54+/m0/s1", + "name": "Elaiophylin", + "names": [ + "Elaiophylin" + ] + }, + { + "compound_id": "C15845", + "inchi": null, + "name": "Arenomycin B", + "names": [ + "Arenomycin B" + ] + }, + { + "compound_id": "C15846", + "inchi": "InChI=1S/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+/t17-,19-,22-,26-,27-/m0/s1", + "name": "Isomigrastatin", + "names": [ + "Isomigrastatin" + ] + }, + { + "compound_id": "C15847", + "inchi": "InChI=1S/C47H82O14/c1-12-37-42(9,52)19-18-38(57-37)43(10)23-29(6)47(55,61-43)44(11)20-17-35(58-44)40(49)46(54)28(5)21-26(3)36(60-46)24-45(53)27(4)14-16-34(59-45)30(7)33(48)22-32-15-13-25(2)39(56-32)31(8)41(50)51/h25-40,48-49,52-55H,12-24H2,1-11H3,(H,50,51)/t25-,26-,27-,28+,29+,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40+,42+,43-,44-,45+,46+,47+/m0/s1", + "name": "X-206", + "names": [ + "X-206" + ] + }, + { + "compound_id": "C15848", + "inchi": "InChI=1/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1/f/h48,51-57,66H,49H2", + "name": "Angiotensin III", + "names": [ + "Angiotensin III" + ] + }, + { + "compound_id": "C15849", + "inchi": "InChI=1/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1/f/h43-47,55H", + "name": "Angiotensin IV", + "names": [ + "Angiotensin IV" + ] + }, + { + "compound_id": "C15850", + "inchi": "InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1", + "name": "Angiotensin (1-7)", + "names": [ + "Angiotensin (1-7)" + ] + }, + { + "compound_id": "C15851", + "inchi": "InChI=1/C56H78N16O13/c1-5-31(4)46(71-50(79)40(22-33-15-17-36(73)18-16-33)67-52(81)45(30(2)3)70-48(77)38(13-9-19-62-56(58)59)65-47(76)37(57)25-44(74)75)53(82)68-41(23-34-26-60-28-63-34)54(83)72-20-10-14-43(72)51(80)66-39(21-32-11-7-6-8-12-32)49(78)69-42(55(84)85)24-35-27-61-29-64-35/h6-8,11-12,15-18,26-31,37-43,45-46,73H,5,9-10,13-14,19-25,57H2,1-4H3,(H,60,63)(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,82)(H,69,78)(H,70,77)(H,71,79)(H,74,75)(H,84,85)(H4,58,59,62)/t31-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1/f/h58,61-63,65-71,74,84H,59H2", + "name": "Angiotensin (1-9)", + "names": [ + "Angiotensin (1-9)" + ] + }, + { + "compound_id": "C15852", + "inchi": "InChI=1/C30H48N8O9/c1-5-16(4)24(29(46)47)38-27(44)21(13-17-8-10-18(39)11-9-17)36-28(45)23(15(2)3)37-26(43)20(7-6-12-34-30(32)33)35-25(42)19(31)14-22(40)41/h8-11,15-16,19-21,23-24,39H,5-7,12-14,31H2,1-4H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)(H,46,47)(H4,32,33,34)/t16-,19-,20-,21-,23-,24-/m0/s1/f/h32,34-38,40,46H,33H2", + "name": "Angiotensin (1-5)", + "names": [ + "Angiotensin (1-5)" + ] + }, + { + "compound_id": "C15853", + "inchi": "InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+", + "name": "Dehydrospermidine", + "names": [ + "Dehydrospermidine" + ] + }, + { + "compound_id": "C15854", + "inchi": null, + "name": "N-(4-Aminobutylidene)-[eIF5A-precursor]-lysine", + "names": [ + "N-(4-Aminobutylidene)-[eIF5A-precursor]-lysine", + "N-(4-Aminobutylidene)-[enzyme]-lysine" + ] + }, + { + "compound_id": "C15855", + "inchi": null, + "name": "Apelin-13", + "names": [ + "Apelin-13" + ] + }, + { + "compound_id": "C15856", + "inchi": null, + "name": "Apelin-36", + "names": [ + "Apelin-36" + ] + }, + { + "compound_id": "C15857", + "inchi": "InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", + "name": "9,9'-dicis-zeta-Carotene", + "names": [ + "9,9'-Di-cis-zeta-carotene", + "9,9'-dicis-zeta-Carotene" + ] + }, + { + "compound_id": "C15858", + "inchi": "InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,32-18-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", + "name": "7,9,7',9'-tetracis-Lycopene", + "names": [ + "7,9,7',9'-Tetra-cis-lycopene", + "7,9,7',9'-tetracis-Lycopene" + ] + }, + { + "compound_id": "C15859", + "inchi": "InChI=1S/C40H58O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-15,18-25,28-29,41H,16-17,26-27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+", + "name": "1'-Hydroxy-gamma-carotene", + "names": [ + "1'-Hydroxy-gamma-carotene" + ] + }, + { + "compound_id": "C15860", + "inchi": "InChI=1S/C40H56O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-16,18-26,28-29,41H,17,27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+", + "name": "1'-Hydroxytorulene", + "names": [ + "1'-Hydroxytorulene", + "Myxocoxanthin" + ] + }, + { + "compound_id": "C15861", + "inchi": "InChI=1S/C46H68O6/c1-33(18-11-12-19-34(2)21-15-25-37(5)28-29-39-38(6)27-17-30-45(39,7)8)20-13-22-35(3)23-14-24-36(4)26-16-31-46(9,10)52-44-43(50)42(49)41(48)40(32-47)51-44/h11-15,18-25,28-29,40-44,47-50H,16-17,26-27,30-32H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,29-28+,33-18+,34-19+,35-22+,36-24+,37-25+/t40-,41-,42+,43-,44+/m1/s1", + "name": "1'-Hydroxy-gamma-carotene glucoside", + "names": [ + "1'-Hydroxy-gamma-carotene glucoside" + ] + }, + { + "compound_id": "C15862", + "inchi": null, + "name": "Buccalin", + "names": [ + "Buccalin" + ] + }, + { + "compound_id": "C15863", + "inchi": null, + "name": "Cerebellin", + "names": [ + "Cerebellin" + ] + }, + { + "compound_id": "C15864", + "inchi": null, + "name": "1'-Hydroxy-gamma-carotene glucoside ester", + "names": [ + "1'-Hydroxy-gamma-carotene glucoside ester" + ] + }, + { + "compound_id": "C15865", + "inchi": null, + "name": "Neuromedin B", + "names": [ + "NMB", + "Neuromedin B" + ] + }, + { + "compound_id": "C15866", + "inchi": null, + "name": "Neuromedin C", + "names": [ + "Neuromedin C" + ] + }, + { + "compound_id": "C15867", + "inchi": "InChI=1S/C40H54/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-13,15-23,25-32H,14,24H2,1-10H3/b12-11+,23-13+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+", + "name": "3,4-Dehydrolycopene", + "names": [ + "3,4-Dehydrolycopene", + "all-trans-3,4-Didehydrolycopene" + ] + }, + { + "compound_id": "C15868", + "inchi": null, + "name": "Neuromedin N", + "names": [ + "Neuromedin N" + ] + }, + { + "compound_id": "C15869", + "inchi": null, + "name": "Neuromedin U", + "names": [ + "NMU", + "Neuromedin U" + ] + }, + { + "compound_id": "C15870", + "inchi": "InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", + "name": "Rhodopin", + "names": [ + "1-Hydroxylycopene", + "Rhodopin" + ] + }, + { + "compound_id": "C15871", + "inchi": null, + "name": "Nocistatin", + "names": [ + "Nocistatin" + ] + }, + { + "compound_id": "C15872", + "inchi": null, + "name": "Kinetensin", + "names": [ + "Kinetensin" + ] + }, + { + "compound_id": "C15873", + "inchi": null, + "name": "Kassinin", + "names": [ + "Kassinin" + ] + }, + { + "compound_id": "C15874", + "inchi": "InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-21,23-31,41H,13,22,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", + "name": "3,4-Dehydrorhodopin", + "names": [ + "3,4-Dehydrorhodopin", + "3,4-Didehydrorhodopin" + ] + }, + { + "compound_id": "C15875", + "inchi": null, + "name": "Kemptide", + "names": [ + "Kemptide" + ] + }, + { + "compound_id": "C15876", + "inchi": null, + "name": "Katacalcin", + "names": [ + "Katacalcin" + ] + }, + { + "compound_id": "C15877", + "inchi": "InChI=1S/C41H58O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-22,24-32H,14,23,33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", + "name": "Anhydrorhodovibrin", + "names": [ + "Anhydrorhodovibrin" + ] + }, + { + "compound_id": "C15878", + "inchi": "InChI=1S/C41H60O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,19-29,31,42H,18,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", + "name": "Rhodovibrin", + "names": [ + "Rhodovibrin" + ] + }, + { + "compound_id": "C15879", + "inchi": "InChI=1S/C41H58O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-31,42H,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,30-18+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", + "name": "Hydroxyspirilloxanthin", + "names": [ + "Hydroxyspirilloxanthin", + "Monodemethyl spirilloxanthin" + ] + }, + { + "compound_id": "C15880", + "inchi": null, + "name": "Allatostatin I", + "names": [ + "Allatostatin I" + ] + }, + { + "compound_id": "C15881", + "inchi": "InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+", + "name": "Spirilloxanthin", + "names": [ + "Spirilloxanthin" + ] + }, + { + "compound_id": "C15882", + "inchi": "InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+", + "name": "2-Methyl-6-phytylquinol", + "names": [ + "2-Methyl-6-phytyl-1,4-hydroquinone", + "2-Methyl-6-phytylquinol" + ] + }, + { + "compound_id": "C15883", + "inchi": "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3/b23-17+", + "name": "2,3-Dimethyl-5-phytylquinol", + "names": [ + "2,3-Dimethyl-5-phytyl-1,4-hydroquinone", + "2,3-Dimethyl-5-phytylquinol" + ] + }, + { + "compound_id": "C15884", + "inchi": "InChI=1S/C42H58O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", + "name": "2-Ketospirilloxanthin", + "names": [ + "2-Ketospirilloxanthin" + ] + }, + { + "compound_id": "C15885", + "inchi": "InChI=1S/C42H56O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", + "name": "2,2'-Diketospirilloxanthin", + "names": [ + "2,2'-Diketospirilloxanthin" + ] + }, + { + "compound_id": "C15886", + "inchi": "InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-18,20-22,24-31H,14,19,23,32-33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", + "name": "3,4-Dihydroanhydrorhodovibrin", + "names": [ + "3,4-Dihydroanhydrorhodovibrin" + ] + }, + { + "compound_id": "C15887", + "inchi": "InChI=1S/C41H62O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,20-29,42H,18-19,30-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", + "name": "3',4'-Dihydrorhodovibrin", + "names": [ + "3',4'-Dihydrorhodovibrin" + ] + }, + { + "compound_id": "C15888", + "inchi": "InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+", + "name": "3,4,3',4'-Tetrahydrospirilloxanthin", + "names": [ + "3,4,3',4'-Tetrahydrospirilloxanthin" + ] + }, + { + "compound_id": "C15889", + "inchi": null, + "name": "Dermaseptin", + "names": [ + "Dermaseptin" + ] + }, + { + "compound_id": "C15890", + "inchi": null, + "name": "Endomorphin-1", + "names": [ + "Endomorphin-1" + ] + }, + { + "compound_id": "C15891", + "inchi": null, + "name": "Endomorphin-2", + "names": [ + "Endomorphin-2" + ] + }, + { + "compound_id": "C15892", + "inchi": "InChI=1S/C40H60O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17,19-21,23-27,29-30,41H,13,16,18,22,28,31-32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", + "name": "Chloroxanthin", + "names": [ + "Chloroxanthin", + "Hydroxyneurosporene" + ] + }, + { + "compound_id": "C15893", + "inchi": null, + "name": "Exendin-3", + "names": [ + "Exendin-3" + ] + }, + { + "compound_id": "C15894", + "inchi": null, + "name": "Exendin-4", + "names": [ + "Exendin-4" + ] + }, + { + "compound_id": "C15895", + "inchi": "InChI=1S/C41H62O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18,20-22,24-28,30-31H,14,17,19,23,29,32-33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", + "name": "3,4-Dihydrospheroidene", + "names": [ + "3,4-Dihydrospheroidene", + "Methoxyneurosporene" + ] + }, + { + "compound_id": "C15897", + "inchi": null, + "name": "Fibrinogen binding inhibitor peptide", + "names": [ + "Fibrinogen binding inhibitor peptide" + ] + }, + { + "compound_id": "C15898", + "inchi": "InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", + "name": "Demethylspheroidene", + "names": [ + "Demethylspheroidene" + ] + }, + { + "compound_id": "C15899", + "inchi": null, + "name": "Fibrinogen binding peptide", + "names": [ + "Fibrinogen binding peptide" + ] + }, + { + "compound_id": "C15900", + "inchi": "InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+", + "name": "Spheroidene", + "names": [ + "Spheroidene" + ] + }, + { + "compound_id": "C15901", + "inchi": null, + "name": "Galanin", + "names": [ + "Galanin" + ] + }, + { + "compound_id": "C15902", + "inchi": "InChI=1S/C41H62O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-15,17,19-25,27-29,31,42H,16,18,26,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+", + "name": "Hydroxyspheroidene", + "names": [ + "Hydroxyspheroidene" + ] + }, + { + "compound_id": "C15903", + "inchi": "InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", + "name": "Spheroidenone", + "names": [ + "Spheroidenone" + ] + }, + { + "compound_id": "C15904", + "inchi": null, + "name": "Galantide", + "names": [ + "Galantide" + ] + }, + { + "compound_id": "C15905", + "inchi": "InChI=1S/C41H60O3/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-40(7,8)43)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-39(42)41(9,10)44-11/h12-15,17,19-24,26-28,30-31,43H,16,18,25,29,32H2,1-11H3/b13-12+,21-14+,22-15+,26-17+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", + "name": "Hydroxyspheroidenone", + "names": [ + "Hydroxyspheroidenone" + ] + }, + { + "compound_id": "C15906", + "inchi": null, + "name": "Glucose-dependent insulinotropic peptide", + "names": [ + "GIP", + "Gastric inhibitory peptide", + "Glucose-dependent insulinotropic peptide" + ] + }, + { + "compound_id": "C15907", + "inchi": "InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,19-20,22-27,29-30,32H,13,17-18,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+", + "name": "1',2'-Dihydro-gamma-carotene", + "names": [ + "1',2'-Dihydro-gamma-carotene" + ] + }, + { + "compound_id": "C15908", + "inchi": "InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+", + "name": "Chlorobactene", + "names": [ + "Chlorobactene" + ] + }, + { + "compound_id": "C15910", + "inchi": "InChI=1S/C40H54/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-16,18-19,21-31H,13,17,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+", + "name": "1',2'-Dihydrochlorobactene", + "names": [ + "1',2'-Dihydrochlorobactene" + ] + }, + { + "compound_id": "C15911", + "inchi": "InChI=1S/C40H54O/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-30-40(9,10)41)17-11-12-18-32(2)20-15-24-35(5)26-29-39-37(7)28-27-36(6)38(39)8/h11-15,17-24,26-29,41H,16,25,30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,31-17+,32-18+,33-21+,34-23+,35-24+", + "name": "Hydroxychlorobactene", + "names": [ + "Hydroxychlorobactene" + ] + }, + { + "compound_id": "C15912", + "inchi": null, + "name": "Granuliberin R", + "names": [ + "Granuliberin R" + ] + }, + { + "compound_id": "C15913", + "inchi": null, + "name": "HA Peptide", + "names": [ + "HA Peptide" + ] + }, + { + "compound_id": "C15914", + "inchi": "InChI=1S/C46H64O6/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-29-40-38(7)28-27-37(6)39(40)8)19-13-21-34(3)22-14-23-35(4)25-16-30-46(9,10)52-45-44(50)43(49)42(48)41(31-47)51-45/h11-15,17-24,26-29,41-45,47-50H,16,25,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t41-,42-,43+,44-,45+/m1/s1", + "name": "Hydroxychlorobactene glucoside", + "names": [ + "Hydroxychlorobactene glucoside" + ] + }, + { + "compound_id": "C15915", + "inchi": "InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1", + "name": "4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol", + "names": [ + "4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol" + ] + }, + { + "compound_id": "C15916", + "inchi": null, + "name": "Helospectin I", + "names": [ + "Helospectin I" + ] + }, + { + "compound_id": "C15917", + "inchi": null, + "name": "Hydroxychlorobactene glucoside ester", + "names": [ + "Hydroxychlorobactene glucoside ester" + ] + }, + { + "compound_id": "C15918", + "inchi": null, + "name": "Helospectin II", + "names": [ + "Helospectin II" + ] + }, + { + "compound_id": "C15919", + "inchi": "InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1", + "name": "Myxol", + "names": [ + "Myxol" + ] + }, + { + "compound_id": "C15920", + "inchi": null, + "name": "Heparin binding peptide", + "names": [ + "Heparin binding peptide" + ] + }, + { + "compound_id": "C15921", + "inchi": null, + "name": "Histatin 5", + "names": [ + "Histatin 5" + ] + }, + { + "compound_id": "C15922", + "inchi": null, + "name": "Indolicidin", + "names": [ + "Indolicidin" + ] + }, + { + "compound_id": "C15923", + "inchi": "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6?/m0/s1", + "name": "L-Gulose", + "names": [ + "L-Gulose" + ] + }, + { + "compound_id": "C15924", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5-,6?/m0/s1", + "name": "L-Gulose 1-phosphate", + "names": [ + "L-Gulose 1-phosphate" + ] + }, + { + "compound_id": "C15925", + "inchi": "InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9-,10+,11-,14?,15+/m0/s1", + "name": "GDP-L-gulose", + "names": [ + "GDP-L-gulose" + ] + }, + { + "compound_id": "C15926", + "inchi": "InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6+/m0/s1", + "name": "L-Galactose 1-phosphate", + "names": [ + "L-Galactose 1-phosphate" + ] + }, + { + "compound_id": "C15927", + "inchi": "InChI=1S/C41H53N11O12/c1-21(47-40(63)31-12-7-13-52(31)41(64)25(42)16-34(56)57)35(58)48-27(14-22-8-3-2-4-9-22)37(60)50-29(17-32(43)54)38(61)51-30(20-53)39(62)49-28(36(59)46-19-33(44)55)15-23-18-45-26-11-6-5-10-24(23)26/h2-6,8-11,18,21,25,27-31,45,53H,7,12-17,19-20,42H2,1H3,(H2,43,54)(H2,44,55)(H,46,59)(H,47,63)(H,48,58)(H,49,62)(H,50,60)(H,51,61)(H,56,57)/t21-,25-,27-,28-,29-,30-,31-/m0/s1", + "name": "Leucokinin I", + "names": [ + "Leucokinin I" + ] + }, + { + "compound_id": "C15928", + "inchi": "InChI=1S/C40H54O4/c1-29(18-13-20-31(3)21-15-23-33(5)25-27-37(42)40(9,10)44)16-11-12-17-30(2)19-14-22-32(4)24-26-35-34(6)38(43)36(41)28-39(35,7)8/h11-27,36-37,41-42,44H,28H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,29-16+,30-17+,31-20+,32-22+,33-23+/t36-,37-/m0/s1", + "name": "4-Ketomyxol", + "names": [ + "4-Ketomyxol" + ] + }, + { + "compound_id": "C15929", + "inchi": null, + "name": "Leucokinin VIII", + "names": [ + "Leucokinin VIII" + ] + }, + { + "compound_id": "C15930", + "inchi": "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)", + "name": "L-Galactonate", + "names": [ + "L-Galactonate", + "L-Galactonic acid" + ] + }, + { + "compound_id": "C15931", + "inchi": null, + "name": "Magainin 1", + "names": [ + "Magainin 1" + ] + }, + { + "compound_id": "C15932", + "inchi": "InChI=1S/C40H56O4/c1-29(18-13-20-31(3)21-15-23-33(5)25-27-37(42)40(9,10)44)16-11-12-17-30(2)19-14-22-32(4)24-26-35-34(6)38(43)36(41)28-39(35,7)8/h11-27,36-38,41-44H,28H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,29-16+,30-17+,31-20+,32-22+,33-23+/t36-,37-,38?/m0/s1", + "name": "4-Hydroxymyxol", + "names": [ + "4-Hydroxymyxol" + ] + }, + { + "compound_id": "C15933", + "inchi": "InChI=1S/C40H56O2/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38(41)40(9,10)42)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26-29,38,41-42H,16,25,30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,29-27+,31-17+,32-18+,33-21+,34-23+,35-24+/t38-/m0/s1", + "name": "Deoxymyxol", + "names": [ + "Deoxymyxol" + ] + }, + { + "compound_id": "C15935", + "inchi": "InChI=1S/C48H70O6/c1-34(20-14-15-21-35(2)23-17-26-37(4)29-31-41-39(6)28-19-33-47(41,8)9)22-16-24-36(3)25-18-27-38(5)30-32-42(48(10,11)50)54-46-45(52-13)43(49)44(51-12)40(7)53-46/h14-18,20-27,29-32,40,42-46,49-50H,19,28,33H2,1-13H3/b15-14+,22-16+,23-17+,25-18+,31-29+,32-30+,34-20+,35-21+,36-24+,37-26+,38-27+/t40-,42?,43+,44+,45-,46?/m0/s1", + "name": "(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)", + "names": [ + "(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)" + ] + }, + { + "compound_id": "C15936", + "inchi": null, + "name": "Magainin 2", + "names": [ + "Magainin 2" + ] + }, + { + "compound_id": "C15937", + "inchi": "InChI=1S/C48H70O7/c1-33(19-14-15-20-34(2)22-17-25-36(4)27-29-41-38(6)31-40(49)32-47(41,8)9)21-16-23-35(3)24-18-26-37(5)28-30-42(48(10,11)51)55-46-45(53-13)43(50)44(52-12)39(7)54-46/h14-30,39-40,42-46,49-51H,31-32H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,29-27+,30-28+,33-19+,34-20+,35-23+,36-25+,37-26+/t39-,40+,42?,43+,44+,45-,46?/m0/s1", + "name": "(3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)", + "names": [ + "(3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)" + ] + }, + { + "compound_id": "C15938", + "inchi": null, + "name": "MAGE-3 (271 - 279)", + "names": [ + "MAGE-3 (271 - 279)" + ] + }, + { + "compound_id": "C15940", + "inchi": "InChI=1S/C46H66O6/c1-32(18-12-13-19-33(2)21-15-24-35(4)27-29-39-37(6)26-17-31-45(39,8)9)20-14-22-34(3)23-16-25-36(5)28-30-40(46(10,11)50)52-44-43(49)42(48)41(47)38(7)51-44/h12-16,18-25,27-30,38,40-44,47-50H,17,26,31H2,1-11H3/b13-12+,20-14+,21-15+,23-16+,29-27+,30-28+,32-18+,33-19+,34-22+,35-24+,36-25+/t38-,40?,41+,42+,43-,44?/m0/s1", + "name": "(2'S)-Deoxymyxol 2'-alpha-L-fucoside", + "names": [ + "(2'S)-Deoxymyxol 2'-alpha-L-fucoside" + ] + }, + { + "compound_id": "C15941", + "inchi": "InChI=1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37-,38+,40?,41+,42+,43-,44?/m0/s1", + "name": "(3R,2'S)-Myxol 2'-alpha-L-fucoside", + "names": [ + "(3R,2'S)-Myxol 2'-alpha-L-fucoside" + ] + }, + { + "compound_id": "C15942", + "inchi": "InChI=1S/C46H64O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-28,36,38-39,41-44,47,49-52H,29H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t36-,38-,39?,41+,42+,43-,44?/m0/s1", + "name": "(3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside", + "names": [ + "(3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside" + ] + }, + { + "compound_id": "C15943", + "inchi": "InChI=1S/C40H48/c1-29(17-13-19-31(3)21-27-39-35(7)25-23-33(5)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-28-40-36(8)26-24-34(6)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,27-21+,28-22+,29-15+,30-16+,31-19+,32-20+", + "name": "Isorenieratene", + "names": [ + "Isorenieratene" + ] + }, + { + "compound_id": "C15944", + "inchi": null, + "name": "Mas7", + "names": [ + "Mas7" + ] + }, + { + "compound_id": "C15945", + "inchi": null, + "name": "Mas8", + "names": [ + "Mas8" + ] + }, + { + "compound_id": "C15946", + "inchi": null, + "name": "Mas17", + "names": [ + "Mas17" + ] + }, + { + "compound_id": "C15947", + "inchi": null, + "name": "Mastoparan", + "names": [ + "Mastoparan" + ] + }, + { + "compound_id": "C15948", + "inchi": null, + "name": "Myomodulin", + "names": [ + "Myomodulin" + ] + }, + { + "compound_id": "C15949", + "inchi": null, + "name": "Neuropeptide Y", + "names": [ + "Neuropeptide Y" + ] + }, + { + "compound_id": "C15952", + "inchi": "InChI=1S/C57H86O7/c1-40(2)23-16-14-13-15-17-31-51(58)62-39-50-52(59)53(60)54(61)55(64-50)63-47-37-46(8)49(57(11,12)38-47)35-33-44(6)29-21-27-42(4)25-19-18-24-41(3)26-20-28-43(5)32-34-48-45(7)30-22-36-56(48,9)10/h18-21,24-29,32-35,40,47,50,52-55,59-61H,13-17,22-23,30-31,36-39H2,1-12H3/b19-18+,26-20+,27-21+,34-32+,35-33+,41-24+,42-25+,43-28+,44-29+/t47-,50-,52-,53+,54-,55-/m1/s1", + "name": "Thermocryptoxanthin-11", + "names": [ + "Thermocryptoxanthin-11" + ] + }, + { + "compound_id": "C15954", + "inchi": "InChI=1S/C59H90O7/c1-42(2)25-18-16-14-13-15-17-19-33-53(60)64-41-52-54(61)55(62)56(63)57(66-52)65-49-39-48(8)51(59(11,12)40-49)37-35-46(6)31-23-29-44(4)27-21-20-26-43(3)28-22-30-45(5)34-36-50-47(7)32-24-38-58(50,9)10/h20-23,26-31,34-37,42,49,52,54-57,61-63H,13-19,24-25,32-33,38-41H2,1-12H3/b21-20+,28-22+,29-23+,36-34+,37-35+,43-26+,44-27+,45-30+,46-31+/t49-,52-,54-,55+,56-,57-/m1/s1", + "name": "Thermocryptoxanthin-13", + "names": [ + "Thermocryptoxanthin-13" + ] + }, + { + "compound_id": "C15955", + "inchi": "InChI=1S/C61H94O7/c1-44(2)27-20-18-16-14-13-15-17-19-21-35-55(62)66-43-54-56(63)57(64)58(65)59(68-54)67-51-41-50(8)53(61(11,12)42-51)39-37-48(6)33-25-31-46(4)29-23-22-28-45(3)30-24-32-47(5)36-38-52-49(7)34-26-40-60(52,9)10/h22-25,28-33,36-39,44,51,54,56-59,63-65H,13-21,26-27,34-35,40-43H2,1-12H3/b23-22+,30-24+,31-25+,38-36+,39-37+,45-28+,46-29+,47-32+,48-33+/t51-,54-,56-,57+,58-,59-/m1/s1", + "name": "Thermocryptoxanthin-15", + "names": [ + "Thermocryptoxanthin-15" + ] + }, + { + "compound_id": "C15956", + "inchi": "InChI=1S/C59H90O8/c1-41(2)24-18-16-14-13-15-17-19-31-53(61)65-40-52-54(62)55(63)56(64)57(67-52)66-49-37-47(8)51(59(11,12)39-49)35-33-45(6)30-23-28-43(4)26-21-20-25-42(3)27-22-29-44(5)32-34-50-46(7)36-48(60)38-58(50,9)10/h20-23,25-30,32-35,41,48-49,52,54-57,60,62-64H,13-19,24,31,36-40H2,1-12H3/b21-20+,27-22+,28-23+,34-32+,35-33+,42-25+,43-26+,44-29+,45-30+/t48-,49-,52-,54-,55+,56-,57-/m1/s1", + "name": "Thermozeaxanthin-13", + "names": [ + "Thermozeaxanthin-13" + ] + }, + { + "compound_id": "C15957", + "inchi": "InChI=1S/C61H94O8/c1-43(2)26-20-18-16-14-13-15-17-19-21-33-55(63)67-42-54-56(64)57(65)58(66)59(69-54)68-51-39-49(8)53(61(11,12)41-51)37-35-47(6)32-25-30-45(4)28-23-22-27-44(3)29-24-31-46(5)34-36-52-48(7)38-50(62)40-60(52,9)10/h22-25,27-32,34-37,43,50-51,54,56-59,62,64-66H,13-21,26,33,38-42H2,1-12H3/b23-22+,29-24+,30-25+,36-34+,37-35+,44-27+,45-28+,46-31+,47-32+/t50-,51-,54-,56-,57+,58-,59-/m1/s1", + "name": "Thermozeaxanthin-15", + "names": [ + "Thermozeaxanthin-15" + ] + }, + { + "compound_id": "C15958", + "inchi": "InChI=1S/C63H98O8/c1-45(2)28-22-20-18-16-14-13-15-17-19-21-23-35-57(65)69-44-56-58(66)59(67)60(68)61(71-56)70-53-41-51(8)55(63(11,12)43-53)39-37-49(6)34-27-32-47(4)30-25-24-29-46(3)31-26-33-48(5)36-38-54-50(7)40-52(64)42-62(54,9)10/h24-27,29-34,36-39,45,52-53,56,58-61,64,66-68H,13-23,28,35,40-44H2,1-12H3/b25-24+,31-26+,32-27+,38-36+,39-37+,46-29+,47-30+,48-33+,49-34+/t52-,53-,56-,58-,59+,60-,61-/m1/s1", + "name": "Thermozeaxanthin-17", + "names": [ + "Thermozeaxanthin-17" + ] + }, + { + "compound_id": "C15959", + "inchi": "InChI=1S/C78H124O14/c1-53(2)33-25-21-17-15-19-23-27-41-67(79)87-51-65-69(81)71(83)73(85)75(91-65)89-61-47-59(9)63(77(11,12)49-61)45-43-57(7)39-31-37-55(5)35-29-30-36-56(6)38-32-40-58(8)44-46-64-60(10)48-62(50-78(64,13)14)90-76-74(86)72(84)70(82)66(92-76)52-88-68(80)42-28-24-20-16-18-22-26-34-54(3)4/h29-32,35-40,43-46,53-54,61-62,65-66,69-76,81-86H,15-28,33-34,41-42,47-52H2,1-14H3/b30-29+,37-31+,38-32+,45-43+,46-44+,55-35+,56-36+,57-39+,58-40+/t61-,62-,65-,66-,69-,70-,71+,72+,73-,74-,75-,76-/m1/s1", + "name": "Thermobiszeaxanthin-13-13", + "names": [ + "Thermobiszeaxanthin-13-13" + ] + }, + { + "compound_id": "C15960", + "inchi": null, + "name": "Octaneuropeptide", + "names": [ + "Octaneuropeptide" + ] + }, + { + "compound_id": "C15961", + "inchi": null, + "name": "P55-TNFR", + "names": [ + "P55-TNFR" + ] + }, + { + "compound_id": "C15962", + "inchi": null, + "name": "P75-TNFR", + "names": [ + "P75-TNFR" + ] + }, + { + "compound_id": "C15963", + "inchi": "InChI=1S/C80H128O14/c1-55(2)35-27-23-19-16-15-17-21-25-29-43-69(81)89-53-67-71(83)73(85)75(87)77(93-67)91-63-49-61(9)65(79(11,12)51-63)47-45-59(7)41-33-39-57(5)37-31-32-38-58(6)40-34-42-60(8)46-48-66-62(10)50-64(52-80(66,13)14)92-78-76(88)74(86)72(84)68(94-78)54-90-70(82)44-30-26-22-18-20-24-28-36-56(3)4/h31-34,37-42,45-48,55-56,63-64,67-68,71-78,83-88H,15-30,35-36,43-44,49-54H2,1-14H3/b32-31+,39-33+,40-34+,47-45+,48-46+,57-37+,58-38+,59-41+,60-42+/t63-,64-,67-,68-,71-,72-,73+,74+,75-,76-,77-,78-/m1/s1", + "name": "Thermobiszeaxanthin-13-15", + "names": [ + "Thermobiszeaxanthin-13-15" + ] + }, + { + "compound_id": "C15964", + "inchi": "InChI=1S/C82H132O14/c1-57(2)37-29-25-21-17-15-19-23-27-31-45-71(83)91-55-69-73(85)75(87)77(89)79(95-69)93-65-51-63(9)67(81(11,12)53-65)49-47-61(7)43-35-41-59(5)39-33-34-40-60(6)42-36-44-62(8)48-50-68-64(10)52-66(54-82(68,13)14)94-80-78(90)76(88)74(86)70(96-80)56-92-72(84)46-32-28-24-20-16-18-22-26-30-38-58(3)4/h33-36,39-44,47-50,57-58,65-66,69-70,73-80,85-90H,15-32,37-38,45-46,51-56H2,1-14H3/b34-33+,41-35+,42-36+,49-47+,50-48+,59-39+,60-40+,61-43+,62-44+/t65-,66-,69-,70-,73-,74-,75+,76+,77-,78-,79-,80-/m1/s1", + "name": "Thermobiszeaxanthin-15-15", + "names": [ + "Thermobiszeaxanthin-15-15" + ] + }, + { + "compound_id": "C15965", + "inchi": "InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m1/s1", + "name": "3'-Hydroxyechinenone", + "names": [ + "3'-Hydroxyechinenone" + ] + }, + { + "compound_id": "C15966", + "inchi": "InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m0/s1", + "name": "3-Hydroxyechinenone", + "names": [ + "3-Hydroxyechinenone" + ] + }, + { + "compound_id": "C15967", + "inchi": "InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1", + "name": "Phoenicoxanthin", + "names": [ + "Adonirubin", + "Phoenicoxanthin" + ] + }, + { + "compound_id": "C15968", + "inchi": "InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1", + "name": "Adonixanthin", + "names": [ + "4-Ketozeaxanthin", + "Adonixanthin" + ] + }, + { + "compound_id": "C15969", + "inchi": "InChI=1S/C52H76O12/c1-31(17-13-19-33(3)21-23-39-35(5)25-37(27-51(39,7)8)61-49-47(59)45(57)43(55)41(29-53)63-49)15-11-12-16-32(2)18-14-20-34(4)22-24-40-36(6)26-38(28-52(40,9)10)62-50-48(60)46(58)44(56)42(30-54)64-50/h11-24,37-38,41-50,53-60H,25-30H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,31-15+,32-16+,33-19+,34-20+/t37-,38-,41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m1/s1", + "name": "Zeaxanthin diglucoside", + "names": [ + "Zeaxanthin diglucoside", + "Zeaxanthin-beta-D-diglucoside" + ] + }, + { + "compound_id": "C15970", + "inchi": "InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1", + "name": "Abscisic acid glucose ester", + "names": [ + "Abscisic acid glucose ester", + "Abscisic acid-beta-D-glucopyranosyl ester", + "beta-D-Glucopyranosyl abscisate" + ] + }, + { + "compound_id": "C15971", + "inchi": "InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11-,13+,14+,15-/m0/s1", + "name": "Dihydrophaseic acid", + "names": [ + "(-)-Dihydrophaseic acid", + "Dihydrophaseic acid" + ] + }, + { + "compound_id": "C15972", + "inchi": null, + "name": "Enzyme N6-(lipoyl)lysine", + "names": [ + "Enzyme N6-(lipoyl)lysine", + "Lipoamide-E" + ] + }, + { + "compound_id": "C15973", + "inchi": null, + "name": "Enzyme N6-(dihydrolipoyl)lysine", + "names": [ + "Dihydrolipoamide-E", + "Enzyme N6-(dihydrolipoyl)lysine" + ] + }, + { + "compound_id": "C15974", + "inchi": "InChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1", + "name": "3-Methyl-1-hydroxybutyl-ThPP", + "names": [ + "3-Methyl-1-hydroxybutyl-TPP", + "3-Methyl-1-hydroxybutyl-ThPP" + ] + }, + { + "compound_id": "C15975", + "inchi": null, + "name": "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(3-methylbutanoyl)dihydrolipoyllysine", + "names": [ + "S-(3-Methylbutanoyl)-dihydrolipoamide-E", + "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(3-methylbutanoyl)dihydrolipoyllysine" + ] + }, + { + "compound_id": "C15976", + "inchi": "InChI=1S/C16H26N4O8P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(31-16)5-6-27-30(25,26)28-29(22,23)24/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1", + "name": "2-Methyl-1-hydroxypropyl-ThPP", + "names": [ + "2-Methyl-1-hydroxypropyl-TPP", + "2-Methyl-1-hydroxypropyl-ThPP" + ] + }, + { + "compound_id": "C15977", + "inchi": null, + "name": "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylpropanoyl)dihydrolipoyllysine", + "names": [ + "Enzyme N6-(S-[2-methylpropanoyl]dihydrolipoyl)lysine", + "S-(2-Methylpropanoyl)-dihydrolipoamide-E", + "S-(2-Methylpropionyl)-dihydrolipoamide-E", + "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylpropanoyl)dihydrolipoyllysine" + ] + }, + { + "compound_id": "C15978", + "inchi": "InChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t10-,15?/m0/s1", + "name": "2-Methyl-1-hydroxybutyl-ThPP", + "names": [ + "2-Methyl-1-hydroxybutyl-TPP", + "2-Methyl-1-hydroxybutyl-ThPP" + ] + }, + { + "compound_id": "C15979", + "inchi": null, + "name": "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylbutanoyl)dihydrolipoyllysine", + "names": [ + "S-(2-Methylbutanoyl)-dihydrolipoamide-E", + "[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylbutanoyl)dihydrolipoyllysine" + ] + }, + { + "compound_id": "C15980", + "inchi": "InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14-,15+,18+,19+,20?,24+/m0/s1", + "name": "(S)-2-Methylbutanoyl-CoA", + "names": [ + "(S)-2-Methylbutanoyl-CoA" + ] + }, + { + "compound_id": "C15981", + "inchi": "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38?/m0/s1", + "name": "alpha-Cryptoxanthin", + "names": [ + "(3'R,6'R)-beta,epsilon-Caroten-3'-ol", + "alpha-Cryptoxanthin" + ] + }, + { + "compound_id": "C15982", + "inchi": "InChI=1S/C54H80O7/c1-37(2)20-13-16-28-48(55)59-36-47-49(56)50(57)51(58)52(61-47)60-44-34-43(8)46(54(11,12)35-44)32-30-41(6)26-18-24-39(4)22-15-14-21-38(3)23-17-25-40(5)29-31-45-42(7)27-19-33-53(45,9)10/h14-15,17-18,21-26,29-32,37,44,47,49-52,56-58H,13,16,19-20,27-28,33-36H2,1-12H3/b15-14+,23-17+,24-18+,31-29+,32-30+,38-21+,39-22+,40-25+,41-26+/t44-,47-,49-,50+,51-,52-/m1/s1", + "name": "Thermocryptoxanthin", + "names": [ + "Thermocryptoxanthin" + ] + }, + { + "compound_id": "C15983", + "inchi": "InChI=1S/C54H80O8/c1-36(2)19-13-16-26-48(56)60-35-47-49(57)50(58)51(59)52(62-47)61-44-32-42(8)46(54(11,12)34-44)30-28-40(6)25-18-23-38(4)21-15-14-20-37(3)22-17-24-39(5)27-29-45-41(7)31-43(55)33-53(45,9)10/h14-15,17-18,20-25,27-30,36,43-44,47,49-52,55,57-59H,13,16,19,26,31-35H2,1-12H3/b15-14+,22-17+,23-18+,29-27+,30-28+,37-20+,38-21+,39-24+,40-25+/t43-,44-,47-,49-,50+,51-,52-/m1/s1", + "name": "Thermozeaxanthin", + "names": [ + "Thermozeaxanthin", + "Zeaxanthin glucoside ester" + ] + }, + { + "compound_id": "C15984", + "inchi": "InChI=1S/C68H104O14/c1-43(2)23-15-19-31-57(69)77-41-55-59(71)61(73)63(75)65(81-55)79-51-37-49(9)53(67(11,12)39-51)35-33-47(7)29-21-27-45(5)25-17-18-26-46(6)28-22-30-48(8)34-36-54-50(10)38-52(40-68(54,13)14)80-66-64(76)62(74)60(72)56(82-66)42-78-58(70)32-20-16-24-44(3)4/h17-18,21-22,25-30,33-36,43-44,51-52,55-56,59-66,71-76H,15-16,19-20,23-24,31-32,37-42H2,1-14H3/b18-17+,27-21+,28-22+,35-33+,36-34+,45-25+,46-26+,47-29+,48-30+/t51-,52-,55-,56-,59-,60-,61+,62+,63-,64-,65-,66-/m1/s1", + "name": "Thermobiszeaxanthin", + "names": [ + "Thermobiszeaxanthin", + "Zeaxanthin diglucoside diester" + ] + }, + { + "compound_id": "C15985", + "inchi": "InChI=1S/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/t12?,13-,16+,17+,18?,19+,20-,21-,22?/m1/s1", + "name": "17-O-Acetylajmaline", + "names": [ + "17-O-Acetylajmaline" + ] + }, + { + "compound_id": "C15986", + "inchi": "InChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15)", + "name": "2,6-Dihydroxypseudooxynicotine", + "names": [ + "2,6-Dihydroxypseudooxynicotine" + ] + }, + { + "compound_id": "C15987", + "inchi": "InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)", + "name": "4-Methylaminobutyrate", + "names": [ + "4-Methylaminobutyrate", + "gamma-N-Methylaminobutyrate" + ] + }, + { + "compound_id": "C15988", + "inchi": "InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m0/s1", + "name": "(9S,10S)-9,10-Dihydroxyoctadecanoate", + "names": [ + "(9S,10S)-9,10-Dihydroxyoctadecanoate" + ] + }, + { + "compound_id": "C15989", + "inchi": "InChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)/t16-,17-/m0/s1", + "name": "(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate", + "names": [ + "(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate" + ] + }, + { + "compound_id": "C15990", + "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4+,5-,6+", + "name": "1L-myo-Inositol 1,2,3,4,6-pentakisphosphate", + "names": [ + "1L-myo-Inositol 1,2,3,4,6-pentakisphosphate", + "myo-Inositol 1,2,3,4,6-pentakisphosphate" + ] + }, + { + "compound_id": "C15991", + "inchi": "InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)", + "name": "myo-Inositol pentakisphosphate", + "names": [ + "myo-Inositol pentakisphosphate" + ] + }, + { + "compound_id": "C15992", + "inchi": "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1", + "name": "Cholesterol-5alpha,6alpha-epoxide", + "names": [ + "5,6alpha-Epoxy-5alpha-cholestan-3beta-ol", + "Cholesterol-5alpha,6alpha-epoxide" + ] + }, + { + "compound_id": "C15995", + "inchi": null, + "name": "Bombesin", + "names": [ + "Bombesin" + ] + }, + { + "compound_id": "C15996", + "inchi": "InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)", + "name": "7-Cyano-7-deazaguanine", + "names": [ + "7-Cyano-7-carbaguanine", + "7-Cyano-7-deazaguanine" + ] + }, + { + "compound_id": "C15997", + "inchi": "InChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1", + "name": "Potassium 2,6-dihydroxytriazinecarboxylate", + "names": [ + "Oteracil potassium", + "Potassium 2,6-dihydroxytriazinecarboxylate", + "Potassium oxonate" + ] + }, + { + "compound_id": "C15998", + "inchi": "InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1", + "name": "L-Methionine (R)-S-oxide", + "names": [ + "L-Methionine (R)-S-oxide" + ] + }, + { + "compound_id": "C15999", + "inchi": "InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1", + "name": "L-Methionine (S)-S-oxide", + "names": [ + "L-Methionine (S)-S-oxide" + ] + }, + { + "compound_id": "C16000", + "inchi": null, + "name": "Urodilatin", + "names": [ + "Urodilatin" + ] + }, + { + "compound_id": "C16001", + "inchi": "InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b30-28+,31-29+;;;;", + "name": "Reactive black 5", + "names": [ + "Reactive black 5" + ] + }, + { + "compound_id": "C16002", + "inchi": null, + "name": "Oxidized reactive black 5", + "names": [ + "Oxidized reactive black 5" + ] + }, + { + "compound_id": "C16003", + "inchi": null, + "name": "Atrial natriuretic peptide", + "names": [ + "ANP", + "Atrial natriuretic peptide", + "Atrial natruiretic factor" + ] + }, + { + "compound_id": "C16004", + "inchi": null, + "name": "Brain natriuretic peptide", + "names": [ + "BNP", + "Brain natriuretic peptide" + ] + }, + { + "compound_id": "C16005", + "inchi": null, + "name": "C-Type natriuretic peptide", + "names": [ + "C-Type natriuretic peptide", + "CNP" + ] + }, + { + "compound_id": "C16006", + "inchi": null, + "name": "Uroguanylin", + "names": [ + "Uroguanylin" + ] + }, + { + "compound_id": "C16007", + "inchi": null, + "name": "Guanylin", + "names": [ + "Guanylin" + ] + }, + { + "compound_id": "C16008", + "inchi": "InChI=1S/C59H89N17O14/c1-3-34(2)47(60)53(85)72-41(32-77)50(82)69-37(19-10-24-65-58(61)62)54(86)76-28-14-23-45(76)56(88)75-27-12-21-43(75)51(83)67-31-46(79)68-39(29-35-15-6-4-7-16-35)48(80)73-42(33-78)55(87)74-26-13-22-44(74)52(84)71-40(30-36-17-8-5-9-18-36)49(81)70-38(57(89)90)20-11-25-66-59(63)64/h4-9,15-18,34,37-45,47,77-78H,3,10-14,19-33,60H2,1-2H3,(H,67,83)(H,68,79)(H,69,82)(H,70,81)(H,71,84)(H,72,85)(H,73,80)(H,89,90)(H4,61,62,65)(H4,63,64,66)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1", + "name": "T-kinin", + "names": [ + "Ile-Ser-bradykinin", + "T-kinin" + ] + }, + { + "compound_id": "C16009", + "inchi": null, + "name": "Big endothelin", + "names": [ + "Big endothelin" + ] + }, + { + "compound_id": "C16010", + "inchi": null, + "name": "Endothelin-1", + "names": [ + "Endothelin-1" + ] + }, + { + "compound_id": "C16011", + "inchi": null, + "name": "Protein-omega-N-(ADP-D-ribosyl)-L-arginine", + "names": [ + "Nomega-(ADP-D-ribosyl)-protein-L-arginine", + "Protein-Nomega-(ADP-D-ribosyl)-L-arginine", + "Protein-omega-N-(ADP-D-ribosyl)-L-arginine" + ] + }, + { + "compound_id": "C16012", + "inchi": null, + "name": "Endothelin-2", + "names": [ + "Endothelin-2" + ] + }, + { + "compound_id": "C16013", + "inchi": null, + "name": "Endothelin-3", + "names": [ + "Endothelin-3" + ] + }, + { + "compound_id": "C16014", + "inchi": "InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+", + "name": "cis-Stilbene oxide", + "names": [ + "cis-Stilbene oxide" + ] + }, + { + "compound_id": "C16015", + "inchi": "InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1", + "name": "(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol", + "names": [ + "(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol" + ] + }, + { + "compound_id": "C16016", + "inchi": null, + "name": "Urotensin II", + "names": [ + "Urotensin II" + ] + }, + { + "compound_id": "C16017", + "inchi": null, + "name": "alpha-Endorphin", + "names": [ + "alpha-Endorphin" + ] + }, + { + "compound_id": "C16018", + "inchi": null, + "name": "gamma-Endorphin", + "names": [ + "gamma-Endorphin" + ] + }, + { + "compound_id": "C16019", + "inchi": null, + "name": "beta-Lipotropin", + "names": [ + "beta-LPH", + "beta-Lipotropin" + ] + }, + { + "compound_id": "C16020", + "inchi": null, + "name": "gamma-Lipotropin", + "names": [ + "gamma-LPH", + "gamma-Lipotropin" + ] + }, + { + "compound_id": "C16021", + "inchi": null, + "name": "Somatostatin-28", + "names": [ + "Somatostatin-2", + "Somatostatin-28" + ] + }, + { + "compound_id": "C16022", + "inchi": null, + "name": "Somatostatin-14", + "names": [ + "Somatostatin-1", + "Somatostatin-14" + ] + }, + { + "compound_id": "C16023", + "inchi": null, + "name": "Cortistatin-29", + "names": [ + "Cortistatin-29" + ] + }, + { + "compound_id": "C16024", + "inchi": null, + "name": "Cortistatin-17", + "names": [ + "Cortistatin-17" + ] + }, + { + "compound_id": "C16025", + "inchi": null, + "name": "Ghrelin", + "names": [ + "Ghrelin" + ] + }, + { + "compound_id": "C16027", + "inchi": null, + "name": "Cocaine- and Amphetamine- regulated transcript (1-39)", + "names": [ + "CART(1-39)", + "Cocaine and Amphetamine regulated transcript (1-39)", + "Cocaine- and Amphetamine- regulated transcript (1-39)" + ] + }, + { + "compound_id": "C16028", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1", + "name": "Amorpha-4,11-diene", + "names": [ + "Amorpha-4,11-diene" + ] + }, + { + "compound_id": "C16029", + "inchi": null, + "name": "Cocaine- and Amphetamine- regulated transcript (42-89)", + "names": [ + "CART(42-89)", + "Cocaine and Amphetamine regulated transcript (42-89)", + "Cocaine- and Amphetamine- regulated transcript (42-89)" + ] + }, + { + "compound_id": "C16030", + "inchi": null, + "name": "Melanin-concentrating hormone", + "names": [ + "MCH", + "Melanin-concentrating hormone" + ] + }, + { + "compound_id": "C16031", + "inchi": null, + "name": "Neuropeptide GE", + "names": [ + "Neuropeptide GE" + ] + }, + { + "compound_id": "C16032", + "inchi": null, + "name": "Neuropeptide W-30", + "names": [ + "Neuropeptide W-30" + ] + }, + { + "compound_id": "C16033", + "inchi": null, + "name": "Neuropeptide W-23", + "names": [ + "Neuropeptide W-23" + ] + }, + { + "compound_id": "C16034", + "inchi": null, + "name": "Neuropeptide B-29", + "names": [ + "Neuropeptide B-29" + ] + }, + { + "compound_id": "C16035", + "inchi": null, + "name": "Neuropeptide B-23", + "names": [ + "Neuropeptide B-23" + ] + }, + { + "compound_id": "C16036", + "inchi": null, + "name": "Neuropeptide S", + "names": [ + "Neuropeptide S" + ] + }, + { + "compound_id": "C16037", + "inchi": null, + "name": "Leumorphin", + "names": [ + "Leumorphin" + ] + }, + { + "compound_id": "C16038", + "inchi": "InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)", + "name": "2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine", + "names": [ + "2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine", + "PhIP" + ] + }, + { + "compound_id": "C16039", + "inchi": null, + "name": "alpha-Neoendorphin", + "names": [ + "alpha-Neoendorphin" + ] + }, + { + "compound_id": "C16040", + "inchi": null, + "name": "beta-Neoendorphin", + "names": [ + "beta-Neoendorphin" + ] + }, + { + "compound_id": "C16041", + "inchi": null, + "name": "Leu-enkephalin", + "names": [ + "Leu-enkephalin" + ] + }, + { + "compound_id": "C16042", + "inchi": null, + "name": "Met-enkephalin-Arg-Gly-Leu", + "names": [ + "Met-enkephalin-Arg-Gly-Leu" + ] + }, + { + "compound_id": "C16043", + "inchi": null, + "name": "Met-enkephalin-Arg-Phe", + "names": [ + "Met-enkephalin-Arg-Phe" + ] + }, + { + "compound_id": "C16044", + "inchi": null, + "name": "Nociceptin", + "names": [ + "Nociceptin", + "Orphanin FQ" + ] + }, + { + "compound_id": "C16045", + "inchi": null, + "name": "RFamide-related peptide 2", + "names": [ + "RFRP-2", + "RFamide-related peptide 2" + ] + }, + { + "compound_id": "C16046", + "inchi": null, + "name": "Galanin-like peptide", + "names": [ + "Galanin-like peptide" + ] + }, + { + "compound_id": "C16047", + "inchi": null, + "name": "Motilin", + "names": [ + "Motilin" + ] + }, + { + "compound_id": "C16048", + "inchi": null, + "name": "Glucagon-like peptide 1", + "names": [ + "GLP-1", + "Glucagon-like peptide 1" + ] + }, + { + "compound_id": "C16049", + "inchi": null, + "name": "Glucagon-like peptide 2", + "names": [ + "GLP-2", + "Glucagon-like peptide 2" + ] + }, + { + "compound_id": "C16050", + "inchi": null, + "name": "Glicentin", + "names": [ + "Glicentin" + ] + }, + { + "compound_id": "C16051", + "inchi": null, + "name": "Parathyroid hormone", + "names": [ + "PTH", + "Parathormone", + "Parathyroid hormone" + ] + }, + { + "compound_id": "C16052", + "inchi": null, + "name": "Parathyroid hormone-related peptide (1-36)", + "names": [ + "PTHrP (1-36)", + "Parathyroid hormone-related peptide (1-36)" + ] + }, + { + "compound_id": "C16053", + "inchi": null, + "name": "Tuberoinfundibular peptide of 39 residues", + "names": [ + "TIP39", + "Tuberoinfundibular peptide of 39 residues" + ] + }, + { + "compound_id": "C16054", + "inchi": null, + "name": "Defensin alpha-1", + "names": [ + "Defensin alpha-1" + ] + }, + { + "compound_id": "C16055", + "inchi": null, + "name": "Defensin alpha-2", + "names": [ + "Defensin alpha-2" + ] + }, + { + "compound_id": "C16056", + "inchi": null, + "name": "Defensin alpha-3", + "names": [ + "Defensin alpha-3" + ] + }, + { + "compound_id": "C16057", + "inchi": null, + "name": "Defensin alpha-4", + "names": [ + "Defensin alpha-4" + ] + }, + { + "compound_id": "C16058", + "inchi": null, + "name": "Defensin alpha-5", + "names": [ + "Defensin alpha-5" + ] + }, + { + "compound_id": "C16059", + "inchi": null, + "name": "Defensin beta-1", + "names": [ + "Defensin beta-1" + ] + }, + { + "compound_id": "C16060", + "inchi": null, + "name": "Defensin beta-2", + "names": [ + "Defensin beta-2" + ] + }, + { + "compound_id": "C16061", + "inchi": null, + "name": "Defensin beta-3", + "names": [ + "Defensin beta-3" + ] + }, + { + "compound_id": "C16062", + "inchi": null, + "name": "Defensin beta-4", + "names": [ + "Defensin beta-4" + ] + }, + { + "compound_id": "C16063", + "inchi": null, + "name": "Liver-expressed antimicrobial peptide 1", + "names": [ + "LEAP-1", + "Liver-expressed antimicrobial peptide 1" + ] + }, + { + "compound_id": "C16064", + "inchi": null, + "name": "Liver-expressed antimicrobial peptide 2", + "names": [ + "LEAP-2", + "Liver-expressed antimicrobial peptide 2" + ] + }, + { + "compound_id": "C16065", + "inchi": null, + "name": "Thymosin alpha-1", + "names": [ + "Thymosin alpha-1" + ] + }, + { + "compound_id": "C16066", + "inchi": null, + "name": "Thymosin beta-4", + "names": [ + "Thymosin beta-4" + ] + }, + { + "compound_id": "C16067", + "inchi": null, + "name": "Thymosin beta-10", + "names": [ + "Thymosin beta-10" + ] + }, + { + "compound_id": "C16068", + "inchi": null, + "name": "Humanin", + "names": [ + "Humanin" + ] + }, + { + "compound_id": "C16069", + "inchi": "InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)", + "name": "3-Sulfolactate", + "names": [ + "3-Sulfolactate" + ] + }, + { + "compound_id": "C16070", + "inchi": "InChI=1S/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)/t2-,3-,4-,5-,6+,7+,8-,9-,10-,11+,12-/m1/s1", + "name": "6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate", + "names": [ + "6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate" + ] + }, + { + "compound_id": "C16071", + "inchi": "InChI=1S/C17H19N4O8P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(24)20-17(25)19-15)5-11(22)14(23)12-6-28-30(26,27)29-12/h3-4,11-12,14,22-23H,5-6H2,1-2H3,(H,26,27)(H,20,24,25)/t11-,12+,14-/m0/s1", + "name": "Riboflavin cyclic-4',5'-phosphate", + "names": [ + "Riboflavin cyclic-4',5'-phosphate" + ] + }, + { + "compound_id": "C16072", + "inchi": null, + "name": "Aliphatic nitrile", + "names": [ + "Aliphatic nitrile" + ] + }, + { + "compound_id": "C16074", + "inchi": "InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2", + "name": "Phenylacetonitrile", + "names": [ + "Benzyl cyanide", + "Phenylacetonitrile" + ] + }, + { + "compound_id": "C16075", + "inchi": "InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7-", + "name": "(Z)-Phenylacetaldehyde oxime", + "names": [ + "(Z)-Phenylacetaldehyde oxime" + ] + }, + { + "compound_id": "C16076", + "inchi": null, + "name": "Urotensin I", + "names": [ + "Urotensin I" + ] + }, + { + "compound_id": "C16077", + "inchi": null, + "name": "Neurophysin I", + "names": [ + "Neurophysin I" + ] + }, + { + "compound_id": "C16078", + "inchi": null, + "name": "Neurophysin II", + "names": [ + "Neurophysin II" + ] + }, + { + "compound_id": "C16079", + "inchi": null, + "name": "Corticotropin releasing hormone", + "names": [ + "CRH", + "Corticoliberin", + "Corticotropin releasing hormone" + ] + }, + { + "compound_id": "C16080", + "inchi": null, + "name": "Urocortin I", + "names": [ + "Urocortin I" + ] + }, + { + "compound_id": "C16081", + "inchi": null, + "name": "Urocortin II", + "names": [ + "Urocortin II" + ] + }, + { + "compound_id": "C16082", + "inchi": null, + "name": "Urocortin III", + "names": [ + "Urocortin III" + ] + }, + { + "compound_id": "C16084", + "inchi": null, + "name": "Gonadotropin-releasing hormone II", + "names": [ + "GnRH-II", + "Gonadoliberin-II", + "Gonadotropin-releasing hormone II" + ] + }, + { + "compound_id": "C16085", + "inchi": null, + "name": "Growth hormone-releasing hormone (1-29)", + "names": [ + "GHRH(1-29)", + "Growth hormone-releasing factor (1-29)", + "Growth hormone-releasing hormone (1-29)" + ] + }, + { + "compound_id": "C16086", + "inchi": null, + "name": "Prolactin-releasing peptide-31", + "names": [ + "Prolactin-releasing peptide-31" + ] + }, + { + "compound_id": "C16087", + "inchi": null, + "name": "Prolactin-releasing peptide-20", + "names": [ + "Prolactin-releasing peptide-20" + ] + }, + { + "compound_id": "C16088", + "inchi": null, + "name": "Pituitary adenylate cyclase-activating peptide-38", + "names": [ + "PACAP-38", + "Pituitary adenylate cyclase-activating peptide-38" + ] + }, + { + "compound_id": "C16089", + "inchi": null, + "name": "Pituitary adenylate cyclase-activating peptide-27", + "names": [ + "PACAP-27", + "Pituitary adenylate cyclase-activating peptide-27" + ] + }, + { + "compound_id": "C16090", + "inchi": null, + "name": "Metastin", + "names": [ + "Metastin" + ] + }, + { + "compound_id": "C16091", + "inchi": null, + "name": "Kisspeptin-14", + "names": [ + "Kisspeptin-14" + ] + }, + { + "compound_id": "C16092", + "inchi": null, + "name": "Kisspeptin-13", + "names": [ + "Kisspeptin-13" + ] + }, + { + "compound_id": "C16093", + "inchi": null, + "name": "Kisspeptin-10", + "names": [ + "Kisspeptin-10" + ] + }, + { + "compound_id": "C16094", + "inchi": null, + "name": "Substance P", + "names": [ + "Substance P" + ] + }, + { + "compound_id": "C16095", + "inchi": null, + "name": "Neuropeptide K", + "names": [ + "Neuropeptide K" + ] + }, + { + "compound_id": "C16096", + "inchi": null, + "name": "Neuropeptide gamma", + "names": [ + "Neuropeptide gamma" + ] + }, + { + "compound_id": "C16097", + "inchi": "InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31-,32-,33-,34-,35-,36-,37-,40-,41-/m0/s1", + "name": "Neurokinin A", + "names": [ + "Neurokinin A", + "Neuromedin L", + "Substance K" + ] + }, + { + "compound_id": "C16098", + "inchi": "InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1", + "name": "Neurokinin B", + "names": [ + "Neurokinin B", + "Neuromedin K", + "Tachykinin-3" + ] + }, + { + "compound_id": "C16099", + "inchi": null, + "name": "Endokinin A/B", + "names": [ + "Endokinin A/B" + ] + }, + { + "compound_id": "C16100", + "inchi": null, + "name": "Endokinin C", + "names": [ + "Endokinin C" + ] + }, + { + "compound_id": "C16101", + "inchi": null, + "name": "Endokinin D", + "names": [ + "Endokinin D" + ] + }, + { + "compound_id": "C16102", + "inchi": null, + "name": "Obestatin", + "names": [ + "Obestatin" + ] + }, + { + "compound_id": "C16103", + "inchi": null, + "name": "Agouti related protein (87-132)", + "names": [ + "Agouti", + "Agouti related protein (87-132)" + ] + }, + { + "compound_id": "C16104", + "inchi": null, + "name": "Neuropeptide EI", + "names": [ + "Neuropeptide EI" + ] + }, + { + "compound_id": "C16105", + "inchi": null, + "name": "Orexin A", + "names": [ + "Orexin A" + ] + }, + { + "compound_id": "C16106", + "inchi": null, + "name": "Orexin B", + "names": [ + "Orexin B" + ] + }, + { + "compound_id": "C16107", + "inchi": null, + "name": "Neuromedin S", + "names": [ + "Neuromedin S" + ] + }, + { + "compound_id": "C16108", + "inchi": "InChI=1/C44H69N15O9S/c1-25(2)36(37(46)63)59-41(67)31(12-8-19-52-44(49)50)57-39(65)30(11-7-18-51-43(47)48)56-40(66)32(17-20-69-3)58-42(68)33(22-26-9-5-4-6-10-26)55-35(62)24-53-34(61)23-54-38(64)29(45)21-27-13-15-28(60)16-14-27/h4-6,9-10,13-16,25,29-33,36,60H,7-8,11-12,17-24,45H2,1-3H3,(H2,46,63)(H,53,61)(H,54,64)(H,55,62)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H4,47,48,51)(H4,49,50,52)/t29-,30-,31+,32-,33-,36-/m0/s1/f/h47,49,51-59H,46,48,50H2", + "name": "Adrenorphin", + "names": [ + "Adrenorphin" + ] + }, + { + "compound_id": "C16109", + "inchi": null, + "name": "RFamide-related peptide 1", + "names": [ + "RFRP-1", + "RFamide-related peptide 1" + ] + }, + { + "compound_id": "C16110", + "inchi": null, + "name": "RFamide-related peptide 3", + "names": [ + "RFRP-3", + "RFamide-related peptide 3" + ] + }, + { + "compound_id": "C16111", + "inchi": null, + "name": "Neuropeptide AF", + "names": [ + "Neuropeptide AF" + ] + }, + { + "compound_id": "C16112", + "inchi": null, + "name": "Neuropeptide FF", + "names": [ + "Neuropeptide FF" + ] + }, + { + "compound_id": "C16113", + "inchi": null, + "name": "Gastrin-17", + "names": [ + "Gastrin-17", + "Heptadecapeptide gastrin", + "Little gastrin" + ] + }, + { + "compound_id": "C16114", + "inchi": null, + "name": "Cholecystokinin-8", + "names": [ + "CCK-8", + "Cholecystokinin-8" + ] + }, + { + "compound_id": "C16115", + "inchi": null, + "name": "Gastrin-releasing peptide", + "names": [ + "GRP", + "Gastrin-releasing peptide" + ] + }, + { + "compound_id": "C16116", + "inchi": null, + "name": "L-Aminoacyl-L-amino acid", + "names": [ + "L-Aminoacyl-L-amino acid" + ] + }, + { + "compound_id": "C16117", + "inchi": null, + "name": "Pancreatic polypeptide", + "names": [ + "Pancreatic polypeptide" + ] + }, + { + "compound_id": "C16118", + "inchi": null, + "name": "Peptide YY", + "names": [ + "Peptide YY" + ] + }, + { + "compound_id": "C16119", + "inchi": null, + "name": "Vasoactive intestinal peptide", + "names": [ + "VIP", + "Vasoactive intestinal peptide" + ] + }, + { + "compound_id": "C16120", + "inchi": null, + "name": "C-peptide", + "names": [ + "C-peptide" + ] + }, + { + "compound_id": "C16121", + "inchi": null, + "name": "Relaxin-1", + "names": [ + "Relaxin-1" + ] + }, + { + "compound_id": "C16122", + "inchi": null, + "name": "Relaxin-2", + "names": [ + "Relaxin-2" + ] + }, + { + "compound_id": "C16123", + "inchi": null, + "name": "Relaxin-3", + "names": [ + "Relaxin-3" + ] + }, + { + "compound_id": "C16124", + "inchi": null, + "name": "Insulin-like 3", + "names": [ + "INSL 3", + "Insulin-like 3", + "Relaxin-like factor" + ] + }, + { + "compound_id": "C16125", + "inchi": null, + "name": "Calcitonin gene-related peptide 1", + "names": [ + "Calcitonin gene-related peptide 1", + "Calcitonin-related polypeptide alpha", + "alpha-CGRP" + ] + }, + { + "compound_id": "C16126", + "inchi": null, + "name": "Calcitonin gene-related peptide 2", + "names": [ + "Calcitonin gene-related peptide 2", + "Calcitonin-related polypeptide beta", + "beta-CGRP" + ] + }, + { + "compound_id": "C16127", + "inchi": null, + "name": "Adrenomedullin", + "names": [ + "Adrenomedullin" + ] + }, + { + "compound_id": "C16128", + "inchi": null, + "name": "Adrenomedullin 2", + "names": [ + "Adrenomedullin 2" + ] + }, + { + "compound_id": "C16129", + "inchi": null, + "name": "Calcitonin receptor-stimulating peptide 1", + "names": [ + "CRSP-1", + "Calcitonin receptor-stimulating peptide 1" + ] + }, + { + "compound_id": "C16130", + "inchi": null, + "name": "Amylin", + "names": [ + "Amylin", + "Islet amyloid polypeptide" + ] + }, + { + "compound_id": "C16131", + "inchi": null, + "name": "Insulin-like growth factor I", + "names": [ + "Insulin-like growth factor I", + "Somatomedin C" + ] + }, + { + "compound_id": "C16132", + "inchi": null, + "name": "Insulin-like growth factor II", + "names": [ + "Insulin-like growth factor II", + "Somatomedin A" + ] + }, + { + "compound_id": "C16133", + "inchi": null, + "name": "Cholecystokinin-33", + "names": [ + "CCK-33", + "Cholecystokinin-33" + ] + }, + { + "compound_id": "C16134", + "inchi": null, + "name": "Corticotropin-like intermediary peptide", + "names": [ + "Corticotropin-like intermediary peptide" + ] + }, + { + "compound_id": "C16135", + "inchi": null, + "name": "Dynorphin B", + "names": [ + "Dynorphin B", + "Rimorphin" + ] + }, + { + "compound_id": "C16136", + "inchi": null, + "name": "beta-Melanotropin", + "names": [ + "beta-MSH", + "beta-Melanocyte-stimulating hormone", + "beta-Melanotropin" + ] + }, + { + "compound_id": "C16137", + "inchi": null, + "name": "gamma-Melanotropin", + "names": [ + "gamma-MSH", + "gamma-Melanocyte-stimulating hormone", + "gamma-Melanotropin" + ] + }, + { + "compound_id": "C16138", + "inchi": "InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1", + "name": "L-Pyrrolysine", + "names": [ + "L-Pyrrolysine", + "Pyrrolysine" + ] + }, + { + "compound_id": "C16139", + "inchi": null, + "name": "tRNA(Pyl)", + "names": [ + "tRNA(Pyl)" + ] + }, + { + "compound_id": "C16140", + "inchi": null, + "name": "L-Lysyl-tRNA(Pyl)", + "names": [ + "L-Lysyl-tRNA(Pyl)" + ] + }, + { + "compound_id": "C16141", + "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6-,14-9+/t15-/m1/s1", + "name": "(+)-Germacrene A", + "names": [ + "(+)-(R)-germacrene A", + "(+)-Germacrene A" + ] + }, + { + "compound_id": "C16142", + "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7-/t15-/m0/s1", + "name": "(-)-Germacrene D", + "names": [ + "(-)-Germacrene D" + ] + }, + { + "compound_id": "C16143", + "inchi": "InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6-/t13-,14+/m0/s1", + "name": "(1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol", + "names": [ + "(1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol", + "Germacradienol" + ] + }, + { + "compound_id": "C16144", + "inchi": "InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9-,27-17+,28-18+,29-23+,30-24+", + "name": "4,4'-Diapophytoene", + "names": [ + "4,4'-Diapophytoene", + "Dehydrosqualene" + ] + }, + { + "compound_id": "C16145", + "inchi": "InChI=1S/C30H42/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13-19,21-24H,12,20H2,1-8H3/b10-9+,19-11+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+", + "name": "4,4'-Diaponeurosporene", + "names": [ + "4,4'-Diaponeurosporene" + ] + }, + { + "compound_id": "C16146", + "inchi": "InChI=1S/C30H40O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+", + "name": "4,4'-Diaponeurosporenic acid", + "names": [ + "4,4'-Diaponeurosporenic acid" + ] + }, + { + "compound_id": "C16147", + "inchi": "InChI=1S/C36H50O7/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)35(41)43-36-34(40)33(39)32(38)31(24-37)42-36/h8-9,11-16,18-23,31-34,36-40H,10,17,24H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+/t31-,32-,33+,34-,36+/m1/s1", + "name": "Glycosyl-4,4'-diaponeurosporenoate", + "names": [ + "Glycosyl-4,4'-diaponeurosporenoate" + ] + }, + { + "compound_id": "C16148", + "inchi": "InChI=1S/C51H78O8/c1-10-39(4)26-17-15-13-11-12-14-16-18-36-46(52)57-37-45-47(53)48(54)49(55)51(58-45)59-50(56)44(9)35-24-34-43(8)33-23-31-41(6)28-20-19-27-40(5)30-22-32-42(7)29-21-25-38(2)3/h19-20,22-25,27-28,30-35,39,45,47-49,51,53-55H,10-18,21,26,29,36-37H2,1-9H3/b20-19+,30-22+,31-23+,34-24+,40-27+,41-28+,42-32+,43-33+,44-35+/t39?,45-,47-,48+,49-,51+/m1/s1", + "name": "Staphyloxanthin", + "names": [ + "Staphyloxanthin" + ] + }, + { + "compound_id": "C16149", + "inchi": "InChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5-", + "name": "(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", + "names": [ + "(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate", + "cis-2'-Carboxybenzalpyruvate" + ] + }, + { + "compound_id": "C16150", + "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3", + "name": "(R,S)-Nicotine", + "names": [ + "(+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine", + "(R,S)-Nicotine" + ] + }, + { + "compound_id": "C16151", + "inchi": "InChI=1S/C10H12N2O2/c1-12-6-2-3-8(12)7-4-5-9(13)11-10(7)14/h3-5H,2,6H2,1H3,(H2,11,13,14)", + "name": "2,6-Dihydroxy-N-methylmyosmine", + "names": [ + "2,6-Dihydroxy-N-methylmyosmine" + ] + }, + { + "compound_id": "C16152", + "inchi": "InChI=1S/C10H6N2O6/c13-5-1-3(7(15)11-9(5)17)4-2-6(14)10(18)12-8(4)16/h1-2,13-14H,(H,11,15,17)(H,12,16,18)/b4-3+", + "name": "Blue pigment", + "names": [ + "Blue pigment" + ] + }, + { + "compound_id": "C16153", + "inchi": "InChI=1S/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,24,25)(H,26,27)(H,16,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1", + "name": "UDP-L-Ara4N", + "names": [ + "UDP-4-amino-4-deoxy-L-arabinose", + "UDP-4-amino-4-deoxy-beta-L-arabinopyranose", + "UDP-L-Ara4N" + ] + }, + { + "compound_id": "C16154", + "inchi": "InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1", + "name": "UDP-L-Ara4FN", + "names": [ + "UDP-4-deoxy-4-formamido-beta-L-arabinopyranose", + "UDP-L-Ara4FN", + "Uridine 5'-diphospho-beta-(4-deoxy-4-formamido-L-arabinose)" + ] + }, + { + "compound_id": "C16155", + "inchi": "InChI=1S/C14H20N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,6,8-13,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t6-,8+,9-,10-,11-,12-,13-/m1/s1", + "name": "UDP-L-Ara4O", + "names": [ + "UDP-4''-ketopentose", + "UDP-L-Ara4O", + "UDP-beta-L-threo-pentapyranos-4-ulose", + "Uridine 5'-diphospho-beta-(L-threo-pentapyranosyl-4''-ulose)" + ] + }, + { + "compound_id": "C16156", + "inchi": "InChI=1S/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-69-71(66,67)70-61-60(65)59(64)58(45-68-61)62-46-63/h23,25,27,29,31,33,35,37,39,41,43,46,58-61,64-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,62,63)(H,66,67)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60+,61-/m0/s1", + "name": "Undecaprenyl phosphate alpha-L-Ara4FN", + "names": [ + "Undecaprenyl phosphate alpha-L-Ara4FN" + ] + }, + { + "compound_id": "C16157", + "inchi": "InChI=1S/C60H100NO7P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-67-69(64,65)68-60-59(63)58(62)57(61)45-66-60/h23,25,27,29,31,33,35,37,39,41,43,57-60,62-63H,13-22,24,26,28,30,32,34,36,38,40,42,44-45,61H2,1-12H3,(H,64,65)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-/m0/s1", + "name": "Undecaprenyl phosphate alpha-L-Ara4N", + "names": [ + "Undecaprenyl phosphate alpha-L-Ara4N" + ] + }, + { + "compound_id": "C16158", + "inchi": null, + "name": "Exendin-2", + "names": [ + "Exendin-2" + ] + }, + { + "compound_id": "C16159", + "inchi": "InChI=1S/C6H8O5/c7-3-4(6(10)11)1-2-5(8)9/h3-4H,1-2H2,(H,8,9)(H,10,11)", + "name": "2-Formylglutarate", + "names": [ + "2-Formylglutarate" + ] + }, + { + "compound_id": "C16160", + "inchi": null, + "name": "Linoleoyl-[acyl-carrier protein]", + "names": [ + "(9Z,12Z)-Octadecadienoyl-ACP", + "(9Z,12Z)-Octadecadienoyl-[acyl-carrier protein]", + "Linoleoyl-ACP", + "Linoleoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C16161", + "inchi": null, + "name": "alpha-Linolenoyl-ACP", + "names": [ + "(9Z,12Z,15Z)-Octadecatrienoyl-ACP", + "(9Z,12Z,15Z)-Octadecatrienoyl-[acyl-carrier protein]", + "alpha-Linolenoyl-ACP", + "alpha-Linolenoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C16162", + "inchi": "InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-/t28-,32-,33-,34?,38-/m1/s1", + "name": "(9Z,12Z,15Z)-Octadecatrienoyl-CoA", + "names": [ + "(9Z,12Z,15Z)-Octadecatrienoyl-CoA", + "alpha-Linolenoyl-CoA" + ] + }, + { + "compound_id": "C16163", + "inchi": "InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34?,38-/m1/s1", + "name": "(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA", + "names": [ + "(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA", + "Stearidonoyl-CoA" + ] + }, + { + "compound_id": "C16164", + "inchi": "InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36?,40-/m1/s1", + "name": "(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA", + "names": [ + "(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA" + ] + }, + { + "compound_id": "C16165", + "inchi": "InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36?,40-/m1/s1", + "name": "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA", + "names": [ + "(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA" + ] + }, + { + "compound_id": "C16166", + "inchi": "InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38?,42-/m1/s1", + "name": "(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA", + "names": [ + "(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA" + ] + }, + { + "compound_id": "C16167", + "inchi": "InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40?,44-/m1/s1", + "name": "(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA", + "names": [ + "(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA" + ] + }, + { + "compound_id": "C16168", + "inchi": "InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", + "name": "(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA", + "names": [ + "(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA" + ] + }, + { + "compound_id": "C16169", + "inchi": "InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38?,42-/m1/s1", + "name": "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA", + "names": [ + "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA" + ] + }, + { + "compound_id": "C16170", + "inchi": "InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4-7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38?,42-/m1/s1", + "name": "(7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA", + "names": [ + "(7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA" + ] + }, + { + "compound_id": "C16171", + "inchi": "InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40?,44-/m1/s1", + "name": "(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA", + "names": [ + "(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA" + ] + }, + { + "compound_id": "C16172", + "inchi": "InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", + "name": "(6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA", + "names": [ + "(6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA" + ] + }, + { + "compound_id": "C16173", + "inchi": "InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38?,42-/m1/s1", + "name": "(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA", + "names": [ + "(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA" + ] + }, + { + "compound_id": "C16174", + "inchi": null, + "name": "Litorin", + "names": [ + "Litorin" + ] + }, + { + "compound_id": "C16175", + "inchi": null, + "name": "Ranatensin", + "names": [ + "Ranatensin" + ] + }, + { + "compound_id": "C16176", + "inchi": null, + "name": "Sarafotoxin S6b", + "names": [ + "Sarafotoxin S6b" + ] + }, + { + "compound_id": "C16178", + "inchi": null, + "name": "Insulin-like peptide 5", + "names": [ + "Insulin-like peptide 5" + ] + }, + { + "compound_id": "C16179", + "inchi": "InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-/t30-,34-,35-,36?,40-/m1/s1", + "name": "(11Z,14Z,17Z)-Icosatrienoyl-CoA", + "names": [ + "(11Z,14Z,17Z)-Icosatrienoyl-CoA" + ] + }, + { + "compound_id": "C16180", + "inchi": "InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,28-30,34-36,40,51-52H,4-7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-/t30-,34-,35-,36?,40-/m1/s1", + "name": "(11Z,14Z)-Icosadienoyl-CoA", + "names": [ + "(11Z,14Z)-Icosadienoyl-CoA" + ] + }, + { + "compound_id": "C16181", + "inchi": "InChI=1S/C6H7Cl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,12H/t1-,2-,3+,4+,5-,6-", + "name": "beta-2,3,4,5,6-Pentachlorocyclohexanol", + "names": [ + "beta-2,3,4,5,6-Pentachlorocyclohexanol" + ] + }, + { + "compound_id": "C16182", + "inchi": "InChI=1S/C6H8Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h1-6,11-12H/t1-,2-,3+,4+,5+,6+", + "name": "beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol", + "names": [ + "beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol" + ] + }, + { + "compound_id": "C16184", + "inchi": "InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-", + "name": "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester", + "names": [ + "(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester", + "EPA ethyl ester" + ] + }, + { + "compound_id": "C16185", + "inchi": "InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-", + "name": "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester", + "names": [ + "(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester", + "DHA ethyl ester" + ] + }, + { + "compound_id": "C16186", + "inchi": "InChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/t2-,5+/m0/s1", + "name": "L-Ascorbate 6-phosphate", + "names": [ + "L-Ascorbate 6-phosphate" + ] + }, + { + "compound_id": "C16187", + "inchi": "InChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16?/m0/s1", + "name": "7,2'-Dihydroxy-4'-methoxy-isoflavanol", + "names": [ + "7,2'-Dihydroxy-4'-methoxy-isoflavanol", + "DMI" + ] + }, + { + "compound_id": "C16188", + "inchi": "InChI=1S/C18H16O6/c1-21-14-8-17(23-3)16(22-2)7-12(14)13-9-24-15-6-10(19)4-5-11(15)18(13)20/h4-9,19H,1-3H3", + "name": "7-Hydroxy-2',4',5'-trimethoxyisoflavone", + "names": [ + "7-Hydroxy-2',4',5'-trimethoxyisoflavone" + ] + }, + { + "compound_id": "C16189", + "inchi": "InChI=1S/C18H16O6/c1-21-14-6-11-12(7-15(14)22-2)23-8-16-17(11)18(20)10-4-3-9(19)5-13(10)24-16/h3-7,16-17,19H,8H2,1-2H3", + "name": "9-Demethylmunduserone", + "names": [ + "9-Demethylmunduserone" + ] + }, + { + "compound_id": "C16190", + "inchi": "InChI=1S/C16H14O5/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)21-16(14)19/h2-8,14,16-17,19H,1H3", + "name": "2,7-Dihydroxy-4'-methoxyisoflavanone", + "names": [ + "2,7-Dihydroxy-4'-methoxyisoflavanone" + ] + }, + { + "compound_id": "C16191", + "inchi": "InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)/t17-,21-,22+,23-,24-/m1/s1", + "name": "Malonyldaidzin", + "names": [ + "Malonyldaidzin" + ] + }, + { + "compound_id": "C16192", + "inchi": "InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1", + "name": "Malonylgenistin", + "names": [ + "Malonylgenistin" + ] + }, + { + "compound_id": "C16193", + "inchi": "InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)", + "name": "1,6-Naphthalenedisulfonic acid", + "names": [ + "1,6-Naphthalenedisulfonic acid" + ] + }, + { + "compound_id": "C16194", + "inchi": "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)", + "name": "2,6-Naphthalenedisulfonic acid", + "names": [ + "2,6-Naphthalenedisulfonic acid" + ] + }, + { + "compound_id": "C16195", + "inchi": "InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1", + "name": "Glycitin", + "names": [ + "Glycitein 7-O-glucoside", + "Glycitin" + ] + }, + { + "compound_id": "C16196", + "inchi": "InChI=1S/C10H8O5S/c11-9-4-1-6-5-7(16(13,14)15)2-3-8(6)10(9)12/h1-5,11-12H,(H,13,14,15)", + "name": "1,2-Dihydroxynaphthalene-6-sulfonate", + "names": [ + "1,2-Dihydroxynaphthalene-6-sulfonate" + ] + }, + { + "compound_id": "C16197", + "inchi": "InChI=1S/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1", + "name": "Malonylglycitin", + "names": [ + "Malonylglycitin" + ] + }, + { + "compound_id": "C16198", + "inchi": "InChI=1S/C10H8O7S/c11-8-4-2-7(18(15,16)17)5-6(8)1-3-9(12)10(13)14/h1-5,11H,(H,13,14)(H,15,16,17)/b3-1-", + "name": "(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate", + "names": [ + "(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate" + ] + }, + { + "compound_id": "C16199", + "inchi": "InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)", + "name": "5-Sulfosalicylate", + "names": [ + "5-Sulfosalicylate", + "Sulfosalicylic acid" + ] + }, + { + "compound_id": "C16200", + "inchi": "InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H", + "name": "Phenylboronic acid", + "names": [ + "Benzeneboronic acid", + "Phenylboronic acid" + ] + }, + { + "compound_id": "C16201", + "inchi": "InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)", + "name": "1-Naphthalenesulfonic acid", + "names": [ + "1-Naphthalenesulfonic acid", + "Naphthalene-1-sulfonate" + ] + }, + { + "compound_id": "C16202", + "inchi": "InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)", + "name": "2-Naphthalenesulfonic acid", + "names": [ + "2-Naphthalenesulfonic acid", + "Naphthalene-2-sulfonate" + ] + }, + { + "compound_id": "C16203", + "inchi": "InChI=1S/C14H12O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,13-16H/t13-,14+/m0/s1", + "name": "Anthracene cis-1,2-dihydrodiol", + "names": [ + "Anthracene cis-1,2-dihydrodiol", + "cis-1,2-Anthracenediol" + ] + }, + { + "compound_id": "C16204", + "inchi": "InChI=1S/C14H10O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,15-16H", + "name": "1,2-Anthracenediol", + "names": [ + "1,2-Anthracenediol" + ] + }, + { + "compound_id": "C16205", + "inchi": "InChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,13-16H", + "name": "Anthracene-9,10-dihydrodiol", + "names": [ + "Anthracene-9,10-dihydrodiol" + ] + }, + { + "compound_id": "C16206", + "inchi": "InChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H", + "name": "9,10-Dihydroxyanthracene", + "names": [ + "9,10-Anthracenediol", + "9,10-Dihydroxyanthracene" + ] + }, + { + "compound_id": "C16207", + "inchi": "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H", + "name": "Anthraquinone", + "names": [ + "9,10-Anthraquinone", + "Anthraquinone" + ] + }, + { + "compound_id": "C16208", + "inchi": "InChI=1S/C15H12O2/c1-17-15-13-9-11-5-3-2-4-10(11)8-12(13)6-7-14(15)16/h2-9,16H,1H3", + "name": "1-Methoxy-2-hydroxyanthracene", + "names": [ + "1-Methoxy-2-hydroxyanthracene" + ] + }, + { + "compound_id": "C16209", + "inchi": "InChI=1S/C14H10O4/c15-13(16)6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(17)18/h1-8H,(H,15,16)(H,17,18)/b6-5+", + "name": "3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid", + "names": [ + "3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid" + ] + }, + { + "compound_id": "C16210", + "inchi": "InChI=1S/C14H10O4/c15-12(14(17)18)6-5-11-7-9-3-1-2-4-10(9)8-13(11)16/h1-8,16H,(H,17,18)/b6-5+", + "name": "4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid", + "names": [ + "4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid" + ] + }, + { + "compound_id": "C16211", + "inchi": "InChI=1S/C13H8O2/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13/h1-8H", + "name": "6,7-Benzocoumarin", + "names": [ + "6,7-Benzocoumarin" + ] + }, + { + "compound_id": "C16212", + "inchi": "InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)", + "name": "3-Hydroxy-2-naphthoate", + "names": [ + "3-Hydroxy-2-naphthoate" + ] + }, + { + "compound_id": "C16213", + "inchi": "InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H", + "name": "2,3-Dihydroxynaphthalene", + "names": [ + "2,3-Dihydroxynaphthalene" + ] + }, + { + "compound_id": "C16214", + "inchi": "InChI=1S/C11H8O5/c12-9(11(15)16)5-7-3-1-2-4-8(7)6-10(13)14/h1-6H,(H,13,14)(H,15,16)/b7-5+,8-6-", + "name": "3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate", + "names": [ + "3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate" + ] + }, + { + "compound_id": "C16215", + "inchi": "InChI=1S/C8H8O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)", + "name": "1,2-Dihydrophthalic acid", + "names": [ + "1,2-Dihydrophthalic acid", + "Cyclohexa-3,5-diene-1,2-dicarboxylate" + ] + }, + { + "compound_id": "C16216", + "inchi": "InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t28-,32-,33-,34?,38-/m1/s1", + "name": "3-Oxostearoyl-CoA", + "names": [ + "3-Ketostearoyl-CoA", + "3-Oxooctadecanoyl-CoA", + "3-Oxostearoyl-CoA", + "beta-Ketostearoyl-CoA" + ] + }, + { + "compound_id": "C16217", + "inchi": "InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t27?,28-,32-,33-,34?,38-/m1/s1", + "name": "3-Hydroxyoctadecanoyl-CoA", + "names": [ + "3-Hydroxyoctadecanoyl-CoA", + "3-Hydroxystearoyl-CoA", + "beta-Hydroxystearoyl-CoA" + ] + }, + { + "compound_id": "C16218", + "inchi": "InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b19-18+/t28-,32-,33-,34?,38-/m1/s1", + "name": "(2E)-Octadecenoyl-CoA", + "names": [ + "(2E)-Octadecenoyl-CoA", + "trans-Octadec-2-enoyl-CoA" + ] + }, + { + "compound_id": "C16219", + "inchi": null, + "name": "3-Oxostearoyl-[acp]", + "names": [ + "3-Ketostearoyl-[acp]", + "3-Oxooctadecanoyl-[acp]", + "3-Oxostearoyl-[acp]", + "beta-Ketostearoyl-[acp]" + ] + }, + { + "compound_id": "C16220", + "inchi": null, + "name": "3-Hydroxyoctadecanoyl-[acp]", + "names": [ + "3-Hydroxyoctadecanoyl-[acp]", + "3-Hydroxystearoyl-[acp]" + ] + }, + { + "compound_id": "C16221", + "inchi": null, + "name": "(2E)-Octadecenoyl-[acp]", + "names": [ + "(2E)-Octadecenoyl-[acp]", + "trans-Octadec-2-enoyl-[acp]" + ] + }, + { + "compound_id": "C16222", + "inchi": "InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18-,22-,23+,24-,25-/m1/s1", + "name": "Formononetin 7-O-glucoside-6''-O-malonate", + "names": [ + "Formononetin 7-O-glucoside-6''-O-malonate" + ] + }, + { + "compound_id": "C16223", + "inchi": "InChI=1S/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3/t14-,17+,18+,19-,20+,21-,22+/m0/s1", + "name": "(-)-Medicocarpin", + "names": [ + "(-)-Medicocarpin", + "Medicarpin 3-O-glucoside" + ] + }, + { + "compound_id": "C16224", + "inchi": "InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1", + "name": "Medicarpin 3-O-glucoside-6'-malonate", + "names": [ + "Medicarpin 3-O-glucoside-6'-malonate" + ] + }, + { + "compound_id": "C16225", + "inchi": "InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m0/s1", + "name": "(-)-Vestitol", + "names": [ + "(-)-Vestitol" + ] + }, + { + "compound_id": "C16226", + "inchi": "InChI=1S/C16H10O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-6,17-18H,7H2", + "name": "2',7-Dihydroxy-4',5'-methylenedioxyisoflavone", + "names": [ + "2',7-Dihydroxy-4',5'-methylenedioxyisoflavone", + "DMI" + ] + }, + { + "compound_id": "C16227", + "inchi": "InChI=1S/C16H12O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,17-18H,6-7H2/t11-/m1/s1", + "name": "(+)-Sophorol", + "names": [ + "(+)-Sophorol" + ] + }, + { + "compound_id": "C16228", + "inchi": "InChI=1S/C16H12O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,17-18H,6-7H2/t11-/m0/s1", + "name": "(-)-Sophorol", + "names": [ + "(-)-Sophorol" + ] + }, + { + "compound_id": "C16229", + "inchi": "InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1", + "name": "(+)-Maackiain", + "names": [ + "(+)-Maackiain" + ] + }, + { + "compound_id": "C16230", + "inchi": "InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1", + "name": "(+)-6a-Hydroxymaackiain", + "names": [ + "(+)-6a-Hydroxymaackiain" + ] + }, + { + "compound_id": "C16231", + "inchi": "InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13-,18+,21+,22-,23+,24-,25+/m0/s1", + "name": "(-)-Maackiain-3-O-glucosyl-6''-O-malonate", + "names": [ + "(-)-Maackiain-3-O-glucosyl-6''-O-malonate" + ] + }, + { + "compound_id": "C16232", + "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)14-6-11(17)10-5-12(18)13(19)7-15(10)20-14/h1-5,7,14,16,18-19H,6H2", + "name": "6,7,4'-Trihydroxyflavanone", + "names": [ + "6,7,4'-Trihydroxyflavanone" + ] + }, + { + "compound_id": "C16233", + "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)13-14(19)9-5-10(17)11(18)6-12(9)21-15(13)20/h1-6,13,15-18,20H", + "name": "2,6,7,4'-Tetrahydroxyisoflavanone", + "names": [ + "2,6,7,4'-Tetrahydroxyisoflavanone" + ] + }, + { + "compound_id": "C16234", + "inchi": "InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)", + "name": "o-Nitrobenzoate", + "names": [ + "2-Nitrobenzoic acid", + "o-Nitrobenzoate" + ] + }, + { + "compound_id": "C16235", + "inchi": "InChI=1S/C7H7NO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4,8,11H,(H,9,10)", + "name": "o-Hydroxylaminobenzoate", + "names": [ + "2-Hydroxylaminobenzoic acid", + "o-Hydroxylaminobenzoate" + ] + }, + { + "compound_id": "C16236", + "inchi": null, + "name": "Protein N6-(octanoyl)lysine", + "names": [ + "Protein N6-(octanoyl)lysine" + ] + }, + { + "compound_id": "C16237", + "inchi": null, + "name": "Protein N6-(lipoyl)lysine", + "names": [ + "Protein N6-(lipoyl)lysine" + ] + }, + { + "compound_id": "C16238", + "inchi": "InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10?,11-,14-,15-,18-/m1/s1", + "name": "Lipoyl-AMP", + "names": [ + "Lipoyl-AMP" + ] + }, + { + "compound_id": "C16239", + "inchi": null, + "name": "Lipoyl-[acp]", + "names": [ + "Lipoyl-ACP", + "Lipoyl-[acp]", + "Lipoyl-[acyl carrier protein]" + ] + }, + { + "compound_id": "C16240", + "inchi": null, + "name": "Apoprotein", + "names": [ + "Apoprotein" + ] + }, + { + "compound_id": "C16241", + "inchi": "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1", + "name": "(R)-Lipoic acid", + "names": [ + "(R)-(+)-Lipoate", + "(R)-Lipoic acid", + "1,2-Dithiolane-3R-pentanoic acid", + "R-(+)-Lipoic acid" + ] + }, + { + "compound_id": "C16242", + "inchi": "InChI=1S/C45H54N4O16.Co/c1-21-45-40-26(15-37(60)61)41(2,13-12-35(56)57)30(47-40)16-27-22(6-9-32(50)51)25(14-36(58)59)44(5,48-27)18-29-23(7-10-33(52)53)42(3,19-38(62)63)31(46-29)17-28(49-45)24(8-11-34(54)55)43(45,4)20-39(64)65-21;/h16-17,21,24H,6-15,18-20H2,1-5H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/t21?,24-,41-,42+,43+,44+,45?;/m1./s1", + "name": "Cobalt-precorrin 5A", + "names": [ + "Cobalt-precorrin 5A" + ] + }, + { + "compound_id": "C16243", + "inchi": "InChI=1S/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1", + "name": "Cobalt-precorrin 5B", + "names": [ + "Cobalt-precorrin 5B" + ] + }, + { + "compound_id": "C16244", + "inchi": "InChI=1/C44H58N4O14.Co/c1-21-37-23(8-11-30(49)50)22(2)43(6,48-37)18-28-24(9-12-31(51)52)41(4,19-35(59)60)29(45-28)17-27-25(10-13-32(53)54)42(5,20-36(61)62)44(7,47-27)39-26(16-34(57)58)40(3,38(21)46-39)15-14-33(55)56;/h17,21,25-26,39H,8-16,18-20H2,1-7H3,(H8,45,47,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/t21?,25-,26+,39-,40-,41+,42+,43+,44+;/m1./s1/fC44H57N4O14.Co/h49,51,53,55,57,59,61H;/q-1;m/b27-17-;", + "name": "Cobalt-precorrin 7", + "names": [ + "Cobalt-precorrin 7" + ] + }, + { + "compound_id": "C16245", + "inchi": "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1", + "name": "D-Glucuronic acid", + "names": [ + "D-Glucuronic acid" + ] + }, + { + "compound_id": "C16246", + "inchi": "InChI=1S/C7H5Br2NO2/c8-4-1-3(7(10)12)2-5(9)6(4)11/h1-2,11H,(H2,10,12)", + "name": "3,5-Dibromo-4-hydroxybenzamide", + "names": [ + "3,5-Dibromo-4-hydroxybenzamide" + ] + }, + { + "compound_id": "C16247", + "inchi": "InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H", + "name": "2,6-Dibromophenol", + "names": [ + "2,6-Dibromophenol" + ] + }, + { + "compound_id": "C16248", + "inchi": "InChI=1S/C6H4Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H", + "name": "2,6-Dibromohydroquinone", + "names": [ + "2,6-Dibromohydroquinone" + ] + }, + { + "compound_id": "C16249", + "inchi": "InChI=1S/C6H5BrO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/b4-1+", + "name": "2-Bromomaleylacetate", + "names": [ + "2-Bromomaleylacetate" + ] + }, + { + "compound_id": "C16250", + "inchi": "InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)", + "name": "MTIC", + "names": [ + "MTIC" + ] + }, + { + "compound_id": "C16251", + "inchi": "InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24?,25+,26+,27+,28-/m1/s1", + "name": "3-epi-6-Deoxocathasterone", + "names": [ + "3-epi-6-Deoxocathasterone" + ] + }, + { + "compound_id": "C16252", + "inchi": "InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7,16-18,20-26,29-31H,8-15H2,1-6H3/t17-,18-,20-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", + "name": "(22R,23R)-22,23-Dihydroxycampesterol", + "names": [ + "(22R,23R)-22,23-Dihydroxycampesterol" + ] + }, + { + "compound_id": "C16253", + "inchi": "InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h15-18,21-26,30-31H,7-14H2,1-6H3/t17-,18-,21-,22+,23?,24-,25+,26+,27-,28+/m0/s1", + "name": "(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one", + "names": [ + "(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one" + ] + }, + { + "compound_id": "C16254", + "inchi": null, + "name": "[Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine", + "names": [ + "S-Succinyldihydrolipoamide-E", + "[Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine" + ] + }, + { + "compound_id": "C16255", + "inchi": null, + "name": "[Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine", + "names": [ + "S-Acetyldihydrolipoamide-E", + "[Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine" + ] + }, + { + "compound_id": "C16256", + "inchi": "InChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25?,29-/m1/s1", + "name": "(E)-Cinnamoyl-CoA", + "names": [ + "(E)-Cinnamoyl-CoA" + ] + }, + { + "compound_id": "C16257", + "inchi": "InChI=1S/C30H44N7O18P3S/c1-30(2,24(41)27(42)33-9-8-20(39)32-10-11-59-29(43)18(38)12-17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)37-16-36-21-25(31)34-15-35-26(21)37/h3-7,15-16,18-19,22-24,28,38,40-41H,8-14H2,1-2H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t18-,19-,22-,23-,24?,28-/m1/s1", + "name": "(R)-Phenyllactyl-CoA", + "names": [ + "(R)-Phenyllactyl-CoA" + ] + }, + { + "compound_id": "C16258", + "inchi": "InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1", + "name": "Petromyzonol", + "names": [ + "5alpha-Cholan-3alpha,7alpha,12alpha,24-tetrol", + "Petromyzonol" + ] + }, + { + "compound_id": "C16259", + "inchi": "InChI=1S/C24H42O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1", + "name": "Petromyzonol 24-sulfate", + "names": [ + "5alpha-Cholan-3alpha,7alpha,12alpha-triol 24-sulfate", + "Petromyzonol 24-sulfate" + ] + }, + { + "compound_id": "C16260", + "inchi": "InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1", + "name": "Scymnol", + "names": [ + "5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol", + "5beta-Scymnol", + "Scymnol" + ] + }, + { + "compound_id": "C16261", + "inchi": "InChI=1S/C27H48O9S/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31/h15-25,28-32H,4-14H2,1-3H3,(H,33,34,35)/t15-,16?,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1", + "name": "5beta-Scymnol sulfate", + "names": [ + "5beta-Scymnol sulfate" + ] + }, + { + "compound_id": "C16262", + "inchi": "InChI=1S/C13H10O3/c14-11-7-3-6-10-8-4-1-2-5-9(8)12(15)13(10,11)16/h1-7,11,14,16H/t11-,13+/m1/s1", + "name": "1-Hydro-1,1a-dihydroxy-9-fluorenone", + "names": [ + "1-Hydro-1,1a-dihydroxy-9-fluorenone" + ] + }, + { + "compound_id": "C16263", + "inchi": "InChI=1S/C13H10O4/c14-11-7-3-6-9(12(11)15)8-4-1-2-5-10(8)13(16)17/h1-7,14-15H,(H,16,17)", + "name": "2,3-Dihydroxy-2'-carboxybiphenyl", + "names": [ + "2,3-Dihydroxy-2'-carboxybiphenyl" + ] + }, + { + "compound_id": "C16264", + "inchi": "InChI=1S/C13H10O6/c14-10(6-3-7-11(15)13(18)19)8-4-1-2-5-9(8)12(16)17/h1-7,15H,(H,16,17)(H,18,19)/b6-3-,11-7+", + "name": "2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate", + "names": [ + "2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate" + ] + }, + { + "compound_id": "C16265", + "inchi": "InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8?/m1/s1", + "name": "N-Acetylgalactosamine 4-sulfate", + "names": [ + "N-Acetylgalactosamine 4-sulfate" + ] + }, + { + "compound_id": "C16266", + "inchi": "InChI=1S/C6H5ClO4/c7-4(2-1-3-8)5(9)6(10)11/h1-3,9H,(H,10,11)/b2-1-,5-4-", + "name": "3-Chloro-2-hydroxymuconic semialdehyde", + "names": [ + "3-Chloro-2-hydroxymuconic semialdehyde" + ] + }, + { + "compound_id": "C16267", + "inchi": "InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)", + "name": "Cyclopropanecarboxylate", + "names": [ + "Cyclopropanecarboxylate" + ] + }, + { + "compound_id": "C16268", + "inchi": "InChI=1S/C25H40N7O17P3S/c1-25(2,19(35)22(36)28-6-5-15(33)27-7-8-53-24(37)13-3-4-13)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,3-10H2,1-2H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19?,23-/m1/s1", + "name": "Cyclopropanecarboxyl-CoA", + "names": [ + "Cyclopropanecarboxyl-CoA" + ] + }, + { + "compound_id": "C16269", + "inchi": "InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1", + "name": "(+)-epi-Isozizaene", + "names": [ + "(+)-epi-Isozizaene" + ] + }, + { + "compound_id": "C16270", + "inchi": "InChI=1S/C40H56O2/c1-33(2)18-12-20-35(4)22-14-24-36(5)23-13-21-34(3)19-10-11-29-39(32-41)30-16-27-37(6)25-15-26-38(7)28-17-31-40(8,9)42/h10-11,13-16,18-19,21-27,29-30,32,42H,12,17,20,28,31H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,34-19+,35-22+,36-23+,37-27+,38-26+,39-29+", + "name": "Rhodopinal", + "names": [ + "Rhodopinal" + ] + }, + { + "compound_id": "C16271", + "inchi": "InChI=1S/C46H66O7/c1-34(2)18-12-20-36(4)22-14-24-37(5)23-13-21-35(3)19-10-11-29-40(32-47)30-16-27-38(6)25-15-26-39(7)28-17-31-46(8,9)53-45-44(51)43(50)42(49)41(33-48)52-45/h10-11,13-16,18-19,21-27,29-30,32,41-45,48-51H,12,17,20,28,31,33H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,35-19+,36-22+,37-23+,38-27+,39-26+,40-29+/t41-,42-,43+,44-,45+/m1/s1", + "name": "Rhodopinal glucoside", + "names": [ + "Rhodopinal glucoside" + ] + }, + { + "compound_id": "C16272", + "inchi": "InChI=1S/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h5,8H,2-3H2,1H3,(H,9,10)", + "name": "3-Hydroxy-5-oxohexanoate", + "names": [ + "3-Hydroxy-5-oxohexanoate" + ] + }, + { + "compound_id": "C16273", + "inchi": "InChI=1S/C27H44N7O19P3S/c1-14(35)8-15(36)9-18(38)57-7-6-29-17(37)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-16-21(52-54(42,43)44)20(39)26(51-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,36,39-40H,4-11H2,1-3H3,(H,29,37)(H,30,41)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15?,16-,20-,21-,22?,26-/m1/s1", + "name": "3-Hydroxy-5-oxohexanoyl-CoA", + "names": [ + "3-Hydroxy-5-oxohexanoyl-CoA" + ] + }, + { + "compound_id": "C16274", + "inchi": "InChI=1S/C40H56O4/c1-31(19-13-21-33(3)23-15-25-35(5)27-29-37(41)39(7,8)43)17-11-12-18-32(2)20-14-22-34(4)24-16-26-36(6)28-30-38(42)40(9,10)44/h11-30,37-38,41-44H,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,31-17+,32-18+,33-21+,34-22+,35-25+,36-26+/t37-,38-/m0/s1", + "name": "(2S,2'S)-Oscillol", + "names": [ + "(2S,2'S)-Oscillol" + ] + }, + { + "compound_id": "C16275", + "inchi": "InChI=1S/C52H76O12/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-41(51(9,10)59)63-49-47(57)45(55)43(53)39(7)61-49)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-42(52(11,12)60)64-50-48(58)46(56)44(54)40(8)62-50/h13-32,39-50,53-60H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+/t39-,40-,41?,42?,43+,44+,45+,46+,47-,48-,49?,50?/m0/s1", + "name": "(2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside)", + "names": [ + "(2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside)" + ] + }, + { + "compound_id": "C16276", + "inchi": "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+", + "name": "epsilon-Carotene", + "names": [ + "epsilon-Carotene" + ] + }, + { + "compound_id": "C16277", + "inchi": "InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,15-21,23-30H,14,22,31-32H2,1-11H3/b13-12+,23-15+,24-16+,27-17+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+", + "name": "R.g.-Keto I", + "names": [ + "R.g.-Keto I" + ] + }, + { + "compound_id": "C16278", + "inchi": "InChI=1S/C42H60O4/c1-33(21-15-23-35(3)25-17-27-37(5)39(43)29-31-41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)40(44)30-32-42(9,10)46-12/h13-28H,29-32H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", + "name": "R.g.-Keto III", + "names": [ + "R.g.-Keto III" + ] + }, + { + "compound_id": "C16279", + "inchi": "InChI=1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+", + "name": "Thiothece-474", + "names": [ + "Thiothece-474" + ] + }, + { + "compound_id": "C16280", + "inchi": "InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+", + "name": "Okenone", + "names": [ + "Okenone" + ] + }, + { + "compound_id": "C16281", + "inchi": "InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)", + "name": "Thiobenzamide", + "names": [ + "Thiobenzamide" + ] + }, + { + "compound_id": "C16282", + "inchi": "InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)27-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(42)38(43)40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/s1", + "name": "Caloxanthin", + "names": [ + "Caloxanthin" + ] + }, + { + "compound_id": "C16283", + "inchi": "InChI=1S/C7H7NOS/c8-7(10-9)6-4-2-1-3-5-6/h1-5H,8H2", + "name": "Thiobenzamide S-oxide", + "names": [ + "Thiobenzamide S-oxide" + ] + }, + { + "compound_id": "C16284", + "inchi": "InChI=1S/C40H56O4/c1-27(17-13-19-29(3)21-23-33-31(5)25-35(41)37(43)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)26-36(42)38(44)40(34,9)10/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m1/s1", + "name": "Nostoxanthin", + "names": [ + "Nostoxanthin" + ] + }, + { + "compound_id": "C16285", + "inchi": "InChI=1S/C7H7NO2S/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,8H,(H,9,10)", + "name": "Thiobenzamide S,S-dioxide", + "names": [ + "Thiobenzamide S,S-dioxide" + ] + }, + { + "compound_id": "C16286", + "inchi": "InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1", + "name": "Geosmin", + "names": [ + "(-)-Geosmin", + "Geosmin", + "trans-1,10-Dimethyl-trans-9-decalol" + ] + }, + { + "compound_id": "C16287", + "inchi": "InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5-,6+,7?/m1/s1", + "name": "D-Thevetose", + "names": [ + "D-Thevetose" + ] + }, + { + "compound_id": "C16288", + "inchi": "InChI=1S/C27H24O16/c28-12-3-1-11(2-4-12)25-17(7-14-15(30)5-13(29)6-16(14)40-25)41-27-24(38)26(43-22(36)9-20(33)34)23(37)18(42-27)10-39-21(35)8-19(31)32/h1-7,18,23-24,26-27,37-38H,8-10H2,(H4-,28,29,30,31,32,33,34)/p+1/t18-,23-,24-,26+,27-/m1/s1", + "name": "Pelargonidin 3-O-3'',6''-O-dimalonylglucoside", + "names": [ + "Pelargonidin 3-O-3'',6''-O-dimalonylglucoside" + ] + }, + { + "compound_id": "C16289", + "inchi": "InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1", + "name": "Cyanidin 3-O-3'',6''-O-dimalonylglucoside", + "names": [ + "Cyanidin 3-O-3'',6''-O-dimalonylglucoside" + ] + }, + { + "compound_id": "C16290", + "inchi": "InChI=1S/C27H24O18/c28-10-3-12(29)11-5-16(25(42-15(11)4-10)9-1-13(30)22(38)14(31)2-9)43-27-24(40)26(45-21(37)7-19(34)35)23(39)17(44-27)8-41-20(36)6-18(32)33/h1-5,17,23-24,26-27,39-40H,6-8H2,(H6-,28,29,30,31,32,33,34,35,38)/p+1/t17-,23-,24-,26+,27-/m1/s1", + "name": "Delphinidin 3-O-3'',6''-O-dimalonylglucoside", + "names": [ + "Delphinidin 3-O-3'',6''-O-dimalonylglucoside" + ] + }, + { + "compound_id": "C16291", + "inchi": "InChI=1S/C40H58/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25,27H,15-16,23-24,26,28-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,31-17+,32-18+,33-21+,34-22+", + "name": "7,8-Dihydro-beta-carotene", + "names": [ + "7,8-Dihydro-beta-carotene" + ] + }, + { + "compound_id": "C16292", + "inchi": "InChI=1S/C42H46O22/c1-16-38(64-29(48)9-4-17-2-6-19(44)7-3-17)34(53)37(56)40(58-16)57-15-28-31(50)33(52)36(55)42(63-28)61-26-13-21-24(59-39(26)18-5-8-22(46)23(47)10-18)11-20(45)12-25(21)60-41-35(54)32(51)30(49)27(14-43)62-41/h2-13,16,27-28,30-38,40-43,49-56H,14-15H2,1H3,(H3-,44,45,46,47,48)/p+1/t16-,27+,28+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1", + "name": "Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside", + "names": [ + "Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside" + ] + }, + { + "compound_id": "C16293", + "inchi": "InChI=1S/C43H48O22/c1-17-39(65-30(48)10-5-18-3-7-20(45)8-4-18)35(53)38(56)41(59-17)58-16-29-32(50)34(52)37(55)43(64-29)62-27-14-22-24(60-40(27)19-6-9-23(47)26(11-19)57-2)12-21(46)13-25(22)61-42-36(54)33(51)31(49)28(15-44)63-42/h3-14,17,28-29,31-39,41-44,49-56H,15-16H2,1-2H3,(H2-,45,46,47,48)/p+1/t17-,28+,29+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+/m0/s1", + "name": "Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside", + "names": [ + "Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside" + ] + }, + { + "compound_id": "C16294", + "inchi": "InChI=1S/C42H46O23/c1-15-38(65-28(48)7-4-16-2-5-18(44)6-3-16)34(54)37(57)40(59-15)58-14-27-31(51)33(53)36(56)42(64-27)62-25-12-20-23(60-39(25)17-8-21(46)29(49)22(47)9-17)10-19(45)11-24(20)61-41-35(55)32(52)30(50)26(13-43)63-41/h2-12,15,26-27,30-38,40-43,50-57H,13-14H2,1H3,(H4-,44,45,46,47,48,49)/p+1/t15-,26+,27+,30+,31+,32-,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1", + "name": "Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside", + "names": [ + "Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside" + ] + }, + { + "compound_id": "C16295", + "inchi": "InChI=1S/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1/t16-,27+,28+,31+,32+,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+/m0/s1", + "name": "Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside", + "names": [ + "Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside" + ] + }, + { + "compound_id": "C16296", + "inchi": "InChI=1S/C44H50O23/c1-17-40(67-30(48)9-6-18-4-7-20(46)8-5-18)36(54)39(57)42(61-17)60-16-29-33(51)35(53)38(56)44(66-29)64-27-14-22-23(62-41(27)19-10-25(58-2)31(49)26(11-19)59-3)12-21(47)13-24(22)63-43-37(55)34(52)32(50)28(15-45)65-43/h4-14,17,28-29,32-40,42-45,50-57H,15-16H2,1-3H3,(H2-,46,47,48,49)/p+1/t17-,28+,29+,32+,33+,34-,35-,36-,37+,38+,39+,40-,42+,43+,44+/m0/s1", + "name": "Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside", + "names": [ + "Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside" + ] + }, + { + "compound_id": "C16297", + "inchi": "InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1", + "name": "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)", + "names": [ + "Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C16298", + "inchi": "InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1", + "name": "Cyanidin 5-O-glucoside", + "names": [ + "Cyanidin 5-O-glucoside" + ] + }, + { + "compound_id": "C16299", + "inchi": "InChI=1S/C39H38O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1", + "name": "Malonylshisonin", + "names": [ + "Malonylshisonin" + ] + }, + { + "compound_id": "C16300", + "inchi": "InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-", + "name": "Stearidonic acid", + "names": [ + "(6Z,9Z,12Z,15Z)-Octadecatetraenoic acid", + "6,9,12,15-Octadecatetraenoic acid", + "Stearidonic acid" + ] + }, + { + "compound_id": "C16301", + "inchi": "InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16-,20-,21+,22-,24-/m1/s1", + "name": "Delphinidin 3-O-(6''-O-malonyl-beta-D-glucoside)", + "names": [ + "Delphinidin 3-O-(6''-O-malonyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C16302", + "inchi": "InChI=1S/C96H106O53/c97-31-54-68(109)75(116)82(123)90(143-54)135-44-13-1-38(2-14-44)9-21-62(103)130-33-56-70(111)77(118)84(125)92(145-56)137-46-17-5-40(6-18-46)11-23-64(105)132-35-58-72(113)79(120)86(127)94(147-58)140-51-25-42(89-53(29-48-49(100)27-43(99)28-50(48)139-89)142-96-88(129)81(122)74(115)60(149-96)37-134-66(107)30-61(101)102)26-52(67(51)108)141-95-87(128)80(121)73(114)59(148-95)36-133-65(106)24-12-41-7-19-47(20-8-41)138-93-85(126)78(119)71(112)57(146-93)34-131-63(104)22-10-39-3-15-45(16-4-39)136-91-83(124)76(117)69(110)55(32-98)144-91/h1-29,54-60,68-88,90-98,109-129H,30-37H2,(H3-,99,100,101,102,108)/p+1/b21-9+,22-10+,23-11+,24-12+/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82-,83-,84-,85-,86-,87-,88-,90-,91-,92-,93-,94-,95-,96-/m1/s1", + "name": "Ternatin A1", + "names": [ + "Ternatin A1" + ] + }, + { + "compound_id": "C16303", + "inchi": "InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p+1/t18-,19-,20-,24-,25-,26-,27+,28+,29+,30-,31-,32-,34-,35-,36-/m1/s1", + "name": "Ternatin C5", + "names": [ + "Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3',5'-di-O-beta-D-glucoside", + "Ternatin C5" + ] + }, + { + "compound_id": "C16304", + "inchi": "InChI=1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p+1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1", + "name": "Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside", + "names": [ + "Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside", + "Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside" + ] + }, + { + "compound_id": "C16305", + "inchi": "InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,25?,26?,27-/m1/s1", + "name": "Pelargonidin 3-O-sophoroside", + "names": [ + "Pelargonidin 3-O-sophoroside" + ] + }, + { + "compound_id": "C16306", + "inchi": "InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25?,26?,27-/m1/s1", + "name": "Cyanidin 3-O-sophoroside", + "names": [ + "Cyanidin 3-O-sophoroside" + ] + }, + { + "compound_id": "C16307", + "inchi": "InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1/t16-,17-,19-,20-,21+,22+,23-,25?,26?,27-/m1/s1", + "name": "Delphinidin 3-O-sophoroside", + "names": [ + "Delphinidin 3-O-sophoroside" + ] + }, + { + "compound_id": "C16308", + "inchi": "InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+", + "name": "Traumatic acid", + "names": [ + "(2E)-Dodecenedioic acid", + "Dodec-2-enedioic acid", + "Traumatic acid" + ] + }, + { + "compound_id": "C16309", + "inchi": "InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7+", + "name": "Traumatin", + "names": [ + "(10E)-12-Oxododecenoic acid", + "Traumatin" + ] + }, + { + "compound_id": "C16310", + "inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-", + "name": "3-Hexenal", + "names": [ + "(3Z)-Hexenal", + "3-Hexenal", + "cis-3-hexenal" + ] + }, + { + "compound_id": "C16311", + "inchi": "InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)/b7-5-", + "name": "12-Oxo-9(Z)-dodecenoic acid", + "names": [ + "12-Oxo-9(Z)-dodecenoic acid" + ] + }, + { + "compound_id": "C16312", + "inchi": "InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1", + "name": "Delphin", + "names": [ + "Delphin", + "Delphinidin 3,5-diglucoside" + ] + }, + { + "compound_id": "C16313", + "inchi": "InChI=1S/C36H36O20/c37-11-24-28(45)30(47)32(49)36(55-24)54-23-10-16-21(52-34(23)14-6-19(41)27(44)20(42)7-14)8-15(38)9-22(16)53-35-33(50)31(48)29(46)25(56-35)12-51-26(43)4-2-13-1-3-17(39)18(40)5-13/h1-10,24-25,28-33,35-37,45-50H,11-12H2,(H5-,38,39,40,41,42,43,44)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Delphinidin 3-glucoside 5-caffoyl-glucoside", + "names": [ + "Delphinidin 3-glucoside 5-caffoyl-glucoside" + ] + }, + { + "compound_id": "C16314", + "inchi": "InChI=1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1", + "name": "Delphinidin 3,5,3'-triglucoside", + "names": [ + "Delphinidin 3,5,3'-triglucoside" + ] + }, + { + "compound_id": "C16315", + "inchi": "InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1", + "name": "Tulipanin", + "names": [ + "Delphinidin 3-O-rutinoside", + "Tulipanin" + ] + }, + { + "compound_id": "C16316", + "inchi": "InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1", + "name": "13(S)-HOT", + "names": [ + "(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid", + "(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid", + "(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate", + "13(S)-HOT", + "13(S)-HOTrE" + ] + }, + { + "compound_id": "C16317", + "inchi": "InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1", + "name": "(+)-7-Isojasmonic acid", + "names": [ + "(+)-7-Isojasmonic acid" + ] + }, + { + "compound_id": "C16318", + "inchi": "InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11+/m1/s1", + "name": "(+)-7-Isomethyljasmonate", + "names": [ + "(+)-7-Isomethyljasmonate" + ] + }, + { + "compound_id": "C16319", + "inchi": "InChI=1S/C18H28O3/c1-2-3-4-13-16-21-17-14-11-9-7-5-6-8-10-12-15-18(19)20/h3-4,9,11,13-14,16-17H,2,5-8,10,12,15H2,1H3,(H,19,20)/b4-3-,11-9-,16-13+,17-14+", + "name": "Etherolenic acid", + "names": [ + "(9Z,11E,1'E,3'Z)-12-(1',3'-Hexadienyloxy)-9,11-dodecadienoic acid", + "Etherolenic acid" + ] + }, + { + "compound_id": "C16320", + "inchi": "InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+", + "name": "Colnelenic acid", + "names": [ + "Colnelenic acid" + ] + }, + { + "compound_id": "C16321", + "inchi": "InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m1/s1", + "name": "9(S)-HPOT", + "names": [ + "(10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid", + "9(S)-HPOT", + "9(S)-HpOTrE" + ] + }, + { + "compound_id": "C16322", + "inchi": "InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)", + "name": "9-Oxononanoic acid", + "names": [ + "9-Oxononanoic acid" + ] + }, + { + "compound_id": "C16323", + "inchi": "InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-", + "name": "3,6-Nonadienal", + "names": [ + "3,6-Nonadienal" + ] + }, + { + "compound_id": "C16324", + "inchi": "InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13,17H,2,5-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13-", + "name": "9,10-EOT", + "names": [ + "(9S)-(10E,12Z,15Z)-9,10-Epoxyoctadecatri-10,12,15-enoic acid", + "9,10-EOT", + "9,10-EOTrE", + "9,10-Epoxyoctadecatrienoic acid" + ] + }, + { + "compound_id": "C16325", + "inchi": "InChI=1S/C18H28O3/c1-2-3-7-10-15-13-14-17(19)16(15)11-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m0/s1", + "name": "10-OPDA", + "names": [ + "(11Z,15Z)-10-Oxo-11,15-phytodienoic acid", + "10-OPDA", + "10-Oxo-11,15-phytodienoic acid" + ] + }, + { + "compound_id": "C16326", + "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1", + "name": "9(S)-HOT", + "names": [ + "(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid", + "9(S)-HOT", + "9(S)-HOTrE" + ] + }, + { + "compound_id": "C16327", + "inchi": "InChI=1S/C39H64N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,23-26,28,32-34,38,50-51H,4,6-8,10-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-/t25-,26-,28+,32+,33+,34?,38+/m0/s1", + "name": "OPC8-CoA", + "names": [ + "OPC8-CoA" + ] + }, + { + "compound_id": "C16328", + "inchi": "InChI=1S/C39H62N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,11,14,23-26,28,32-34,38,50-51H,4,6-8,10,12-13,15-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b9-5-,14-11+/t25-,26-,28+,32+,33+,34?,38+/m0/s1", + "name": "trans-2-Enoyl-OPC8-CoA", + "names": [ + "trans-2-Enoyl-OPC8-CoA" + ] + }, + { + "compound_id": "C16329", + "inchi": "InChI=1S/C39H64N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-26,28,32-34,38,47,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,25?,26-,28+,32+,33+,34?,38+/m0/s1", + "name": "3-Hydroxy-OPC8-CoA", + "names": [ + "3-Hydroxy-OPC8-CoA" + ] + }, + { + "compound_id": "C16330", + "inchi": "InChI=1S/C39H62N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-24,26,28,32-34,38,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,26-,28+,32+,33+,34?,38+/m0/s1", + "name": "3-Oxo-OPC8-CoA", + "names": [ + "3-Oxo-OPC8-CoA" + ] + }, + { + "compound_id": "C16331", + "inchi": "InChI=1S/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23-,24-,26+,30+,31+,32?,36+/m0/s1", + "name": "OPC6-CoA", + "names": [ + "OPC6-CoA" + ] + }, + { + "compound_id": "C16332", + "inchi": "InChI=1S/C37H58N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,9,12,21-24,26,30-32,36,48-49H,4,6,8,10-11,13-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-,12-9+/t23-,24-,26+,30+,31+,32?,36+/m0/s1", + "name": "trans-2-Enoyl-OPC6-CoA", + "names": [ + "trans-2-Enoyl-OPC6-CoA" + ] + }, + { + "compound_id": "C16333", + "inchi": "InChI=1S/C37H60N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-24,26,30-32,36,45,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,23?,24-,26+,30+,31+,32?,36+/m0/s1", + "name": "3-Hydroxy-OPC6-CoA", + "names": [ + "3-Hydroxy-OPC6-CoA" + ] + }, + { + "compound_id": "C16334", + "inchi": "InChI=1S/C37H58N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-22,24,26,30-32,36,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,24-,26+,30+,31+,32?,36+/m0/s1", + "name": "3-Oxo-OPC6-CoA", + "names": [ + "3-Oxo-OPC6-CoA" + ] + }, + { + "compound_id": "C16335", + "inchi": "InChI=1S/C35H56N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-6,19-22,24,28-30,34,46-47H,4,7-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-/t21-,22-,24+,28+,29+,30?,34+/m0/s1", + "name": "OPC4-CoA", + "names": [ + "OPC4-CoA" + ] + }, + { + "compound_id": "C16336", + "inchi": "InChI=1S/C35H54N7O18P3S/c1-4-5-6-9-22-21(11-12-23(22)43)8-7-10-26(45)64-16-15-37-25(44)13-14-38-33(48)30(47)35(2,3)18-57-63(54,55)60-62(52,53)56-17-24-29(59-61(49,50)51)28(46)34(58-24)42-20-41-27-31(36)39-19-40-32(27)42/h5-7,10,19-22,24,28-30,34,46-47H,4,8-9,11-18H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b6-5-,10-7+/t21-,22-,24+,28+,29+,30?,34+/m0/s1", + "name": "trans-2-Enoyl-OPC4-CoA", + "names": [ + "trans-2-Enoyl-OPC4-CoA" + ] + }, + { + "compound_id": "C16337", + "inchi": "InChI=1S/C35H56N7O19P3S/c1-4-5-6-7-22-20(8-9-23(22)44)14-21(43)15-26(46)65-13-12-37-25(45)10-11-38-33(49)30(48)35(2,3)17-58-64(55,56)61-63(53,54)57-16-24-29(60-62(50,51)52)28(47)34(59-24)42-19-41-27-31(36)39-18-40-32(27)42/h5-6,18-22,24,28-30,34,43,47-48H,4,7-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b6-5-/t20-,21-,22+,24-,28-,29-,30?,34-/m1/s1", + "name": "3-Hydroxy-OPC4-CoA", + "names": [ + "3-Hydroxy-OPC4-CoA" + ] + }, + { + "compound_id": "C16338", + "inchi": "InChI=1S/C35H54N7O19P3S/c1-4-5-6-7-22-20(8-9-23(22)44)14-21(43)15-26(46)65-13-12-37-25(45)10-11-38-33(49)30(48)35(2,3)17-58-64(55,56)61-63(53,54)57-16-24-29(60-62(50,51)52)28(47)34(59-24)42-19-41-27-31(36)39-18-40-32(27)42/h5-6,18-20,22,24,28-30,34,47-48H,4,7-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b6-5-/t20-,22+,24-,28-,29-,30?,34-/m1/s1", + "name": "3-Oxo-OPC4-CoA", + "names": [ + "3-Oxo-OPC4-CoA" + ] + }, + { + "compound_id": "C16339", + "inchi": "InChI=1S/C33H52N7O18P3S/c1-4-5-6-7-20-19(8-9-21(20)41)14-24(43)62-13-12-35-23(42)10-11-36-31(46)28(45)33(2,3)16-55-61(52,53)58-60(50,51)54-15-22-27(57-59(47,48)49)26(44)32(56-22)40-18-39-25-29(34)37-17-38-30(25)40/h5-6,17-20,22,26-28,32,44-45H,4,7-16H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/b6-5-/t19-,20+,22-,26-,27-,28?,32-/m1/s1", + "name": "(+)-7-Isojasmonic acid CoA", + "names": [ + "(+)-7-Isojasmonic acid CoA" + ] + }, + { + "compound_id": "C16340", + "inchi": "InChI=1S/C40H52/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h11-14,16-21,23-28H,15,22,29H2,1-10H3/b12-11+,18-13+,19-14+,27-23+,28-24+,30-16+,31-17+,32-20+,33-21+", + "name": "beta-Isorenieratene", + "names": [ + "beta-Isorenieratene" + ] + }, + { + "compound_id": "C16341", + "inchi": "InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h3-4,6-7,9-10,17,21H,2,5,8,11-16H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-/t17-/m1/s1", + "name": "2(R)-HPOT", + "names": [ + "(2R)-(9Z,12Z,15Z)-2-Hydroperoxyoctadecatri-9,12,15-enoic acid", + "2(R)-HPOT", + "2(R)-HpOTrE" + ] + }, + { + "compound_id": "C16342", + "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-/t17-/m1/s1", + "name": "2(R)-HOT", + "names": [ + "(2R)-(9Z,12Z,15Z)-2-Hydroxyoctadecatri-9,12,15-enoic acid", + "2(R)-HOT", + "2(R)-HOTrE" + ] + }, + { + "compound_id": "C16343", + "inchi": "InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3-,7-6-,10-9-", + "name": "Heptadecatrienal", + "names": [ + "(8Z,11Z,14Z)-8,11,14-Heptadecatrienal", + "Heptadecatrienal" + ] + }, + { + "compound_id": "C16344", + "inchi": "InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h3-4,6-7,9-10H,2,5,8,11-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-", + "name": "Heptadecatrienoic acid", + "names": [ + "(8Z,11Z,14Z)-8,11,14-Heptadecatrienoic acid", + "Heptadecatrienoic acid" + ] + }, + { + "compound_id": "C16345", + "inchi": "InChI=1S/C23H38N2O5/c1-19(26)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(28)25-20(23(29)30)17-18-21(24)27/h2-3,7,9,13,15,19-20,26H,4-6,8,10-12,14,16-18H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b3-2-,9-7-,15-13-/t19?,20-/m1/s1", + "name": "Volicitin", + "names": [ + "N-(17-Hydroxylinolenoyl)-L-glutamine", + "Volicitin" + ] + }, + { + "compound_id": "C16346", + "inchi": "InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13-", + "name": "17-Hydroxylinolenic acid", + "names": [ + "(9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoic acid", + "17-Hydroxylinolenic acid" + ] + }, + { + "compound_id": "C16347", + "inchi": "InChI=1S/C40H54O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-39(7,8)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)37(41)29-38(42)40(36,9)10/h11-27,38,42-43H,28-29H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t38-/m1/s1", + "name": "Deinoxanthin", + "names": [ + "Deinoxanthin" + ] + }, + { + "compound_id": "C16348", + "inchi": "InChI=1S/C3H3ClO/c4-2-1-3-5/h1-3H/b2-1-", + "name": "cis-3-Chloroallyl aldehyde", + "names": [ + "cis-3-Chloro-2-propenal", + "cis-3-Chloroallyl aldehyde" + ] + }, + { + "compound_id": "C16349", + "inchi": "InChI=1S/C36H36O17/c37-14-25-28(42)30(44)32(46)36(52-25)51-24-13-21-22(49-34(24)17-4-8-19(39)9-5-17)11-20(40)12-23(21)50-35-33(47)31(45)29(43)26(53-35)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)", + "names": [ + "Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C16350", + "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)", + "names": [ + "Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C16351", + "inchi": "InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)36(54-24)53-23-11-18-21(51-34(23)15-7-19(40)27(43)20(41)8-15)9-17(39)10-22(18)52-35-33(49)31(47)29(45)25(55-35)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)", + "names": [ + "Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C16352", + "inchi": "InChI=1S/C11H14N4O6/c1-14-3-15(8-5(14)9(19)13-11(20)12-8)10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H-,12,13,19,20)/p+1/t4-,6-,7-,10-/m1/s1", + "name": "7-Methylxanthosine", + "names": [ + "7-Methylxanthosine" + ] + }, + { + "compound_id": "C16353", + "inchi": "InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)", + "name": "7-Methylxanthine", + "names": [ + "7-Methylxanthine" + ] + }, + { + "compound_id": "C16354", + "inchi": "InChI=1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1", + "name": "Albireodelphin", + "names": [ + "Albireodelphin" + ] + }, + { + "compound_id": "C16355", + "inchi": "InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)", + "name": "7-Methyluric acid", + "names": [ + "7-Methyluric acid" + ] + }, + { + "compound_id": "C16356", + "inchi": "InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)", + "name": "1,7-Dimethyluric acid", + "names": [ + "1,7-Dimethyluric acid" + ] + }, + { + "compound_id": "C16357", + "inchi": "InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)", + "name": "3-Methylxanthine", + "names": [ + "3-Methylxanthine" + ] + }, + { + "compound_id": "C16358", + "inchi": "InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)", + "name": "1-Methylxanthine", + "names": [ + "1-Methylxanthine" + ] + }, + { + "compound_id": "C16359", + "inchi": "InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)", + "name": "1-Methyluric acid", + "names": [ + "1-Methyluric acid" + ] + }, + { + "compound_id": "C16360", + "inchi": "InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)", + "name": "3,7-Dimethyluric acid", + "names": [ + "3,7-Dimethyluric acid" + ] + }, + { + "compound_id": "C16361", + "inchi": "InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)", + "name": "1,3,7-Trimethyluric acid", + "names": [ + "1,3,7-Trimethylurate", + "1,3,7-Trimethyluric acid" + ] + }, + { + "compound_id": "C16362", + "inchi": "InChI=1S/C7H12N4O3/c1-8-6(13)10(2)4-5(12)11(3)7(14)9-4/h4H,1-3H3,(H,8,13)(H,9,14)", + "name": "3,6,8-Trimethylallantoin", + "names": [ + "3,6,8-Trimethylallantoin" + ] + }, + { + "compound_id": "C16363", + "inchi": "InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)", + "name": "N-Methylurea", + "names": [ + "Methylurea", + "N-Methylurea" + ] + }, + { + "compound_id": "C16364", + "inchi": "InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)", + "name": "N,N'-Dimethylurea", + "names": [ + "1,3-Dimethylurea", + "N,N'-Dimethylurea" + ] + }, + { + "compound_id": "C16365", + "inchi": "InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)", + "name": "5-Acetylamino-6-formylamino-3-methyluracil", + "names": [ + "5-Acetylamino-6-formylamino-3-methyluracil", + "AFMU" + ] + }, + { + "compound_id": "C16366", + "inchi": "InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)", + "name": "5-Acetylamino-6-amino-3-methyluracil", + "names": [ + "5-Acetylamino-6-amino-3-methyluracil", + "AAMU" + ] + }, + { + "compound_id": "C16367", + "inchi": "InChI=1S/C30H26O15/c31-14-8-17(33)15-10-22(29(43-21(15)9-14)13-6-19(35)25(38)20(36)7-13)44-30-28(41)27(40)26(39)23(45-30)11-42-24(37)4-2-12-1-3-16(32)18(34)5-12/h1-10,23,26-28,30,39-41H,11H2,(H6-,31,32,33,34,35,36,37,38)/p+1/t23-,26-,27+,28-,30-/m1/s1", + "name": "Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)", + "names": [ + "Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)" + ] + }, + { + "compound_id": "C16368", + "inchi": "InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/p+1/t24-,26-,27+,28-,30-/m1/s1", + "name": "Pelargonidin 3-(6-p-coumaroyl)glucoside", + "names": [ + "Pelargonidin 3-(6-p-coumaroyl)glucoside" + ] + }, + { + "compound_id": "C16369", + "inchi": "InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26-,27+,28-,30-/m1/s1", + "name": "Cyanidin 3-(6-p-caffeoyl)glucoside", + "names": [ + "Cyanidin 3-(6-p-caffeoyl)glucoside" + ] + }, + { + "compound_id": "C16370", + "inchi": "InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1", + "name": "Delphinidin 3-(6-p-coumaroyl)glucoside", + "names": [ + "Delphinidin 3-(6-p-coumaroyl)glucoside" + ] + }, + { + "compound_id": "C16371", + "inchi": "InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Pelargonidin 3-glucoside 5-caffeoylglucoside", + "names": [ + "Pelargonidin 3-glucoside 5-caffeoylglucoside" + ] + }, + { + "compound_id": "C16372", + "inchi": "InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1", + "name": "Cyanidin 3-glucoside 5-caffeoylglucoside", + "names": [ + "Cyanidin 3-glucoside 5-caffeoylglucoside" + ] + }, + { + "compound_id": "C16373", + "inchi": "InChI=1S/C30H30O20/c31-10-4-13(33)11-6-16(25(46-15(11)5-10)9-1-2-12(32)14(34)3-9)47-30-27(50-29-24(42)21(39)23(41)26(49-29)28(43)44)22(40)20(38)17(48-30)8-45-19(37)7-18(35)36/h1-6,17,20-24,26-27,29-30,38-42H,7-8H2,(H5-,31,32,33,34,35,36,43,44)/p+1/t17-,20-,21+,22+,23+,24-,26+,27?,29?,30-/m1/s1", + "name": "Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside", + "names": [ + "Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside" + ] + }, + { + "compound_id": "C16374", + "inchi": "InChI=1S/C45H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40?,44-/m1/s1", + "name": "(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA", + "names": [ + "(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-CoA" + ] + }, + { + "compound_id": "C16375", + "inchi": "InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40?,44-/m1/s1", + "name": "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA", + "names": [ + "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA" + ] + }, + { + "compound_id": "C16376", + "inchi": "InChI=1S/C45H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", + "name": "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA", + "names": [ + "(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA" + ] + }, + { + "compound_id": "C16386", + "inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1", + "name": "(R)-Nicotine", + "names": [ + "(R)-Nicotine" + ] + }, + { + "compound_id": "C16387", + "inchi": "InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40?,44-/m1/s1", + "name": "(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA", + "names": [ + "(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA" + ] + }, + { + "compound_id": "C16388", + "inchi": "InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t33?,34-,38-,39-,40?,44-/m1/s1", + "name": "(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA", + "names": [ + "(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA" + ] + }, + { + "compound_id": "C16389", + "inchi": "InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40?,44-/m1/s1", + "name": "(6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA", + "names": [ + "(6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA" + ] + }, + { + "compound_id": "C16390", + "inchi": "InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)", + "name": "(S)-2-(Hydroxymethyl)glutarate", + "names": [ + "(S)-2-(Hydroxymethyl)glutarate" + ] + }, + { + "compound_id": "C16391", + "inchi": "InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3", + "name": "Trinitrotoluene", + "names": [ + "2,4,6-Trinitrotoluene", + "Trinitrotoluene" + ] + }, + { + "compound_id": "C16392", + "inchi": "InChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3", + "name": "4-Hydroxylamino-2,6-dinitrotoluene", + "names": [ + "4-Hydroxylamino-2,6-dinitrotoluene" + ] + }, + { + "compound_id": "C16393", + "inchi": "InChI=1S/C7H7N3O5/c1-4-6(8-11)2-5(9(12)13)3-7(4)10(14)15/h2-3,8,11H,1H3", + "name": "2-Hydroxylamino-4,6-dinitrotoluene", + "names": [ + "2-Hydroxylamino-4,6-dinitrotoluene" + ] + }, + { + "compound_id": "C16394", + "inchi": "InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3", + "name": "4-Amino-2,6-dinitrotoluene", + "names": [ + "4-Amino-2,6-dinitrotoluene" + ] + }, + { + "compound_id": "C16395", + "inchi": "InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3", + "name": "2-Amino-4,6-dinitrotoluene", + "names": [ + "2-Amino-4,6-dinitrotoluene" + ] + }, + { + "compound_id": "C16396", + "inchi": "InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3", + "name": "2,4-Diamino-6-nitrotoluene", + "names": [ + "2,4-Diamino-6-nitrotoluene" + ] + }, + { + "compound_id": "C16397", + "inchi": "InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3", + "name": "2,6-Diamino-4-nitrotoluene", + "names": [ + "2,6-Diamino-4-nitrotoluene" + ] + }, + { + "compound_id": "C16398", + "inchi": "InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3", + "name": "2-Amino-4-nitrotoluene", + "names": [ + "2-Amino-4-nitrotoluene", + "5-Nitro-o-toluidine" + ] + }, + { + "compound_id": "C16399", + "inchi": "InChI=1S/C7H11N3O/c1-4-6(9)2-5(8)3-7(4)10-11/h2-3,10-11H,8-9H2,1H3", + "name": "2,4-Diamino-6-hydroxylaminotoluene", + "names": [ + "2,4-Diamino-6-hydroxylaminotoluene" + ] + }, + { + "compound_id": "C16400", + "inchi": "InChI=1S/C7H11N3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,8-10H2,1H3", + "name": "2,4,6-Triaminotoluene", + "names": [ + "2,4,6-Triaminotoluene" + ] + }, + { + "compound_id": "C16401", + "inchi": "InChI=1S/C7H8O3/c1-4-6(9)2-5(8)3-7(4)10/h2-3,8-10H,1H3", + "name": "2,4,6-Trihydroxytoluene", + "names": [ + "2,4,6-Trihydroxytoluene", + "2-Methylphloroglucinol" + ] + }, + { + "compound_id": "C16402", + "inchi": "InChI=1S/C7H9N3O4/c1-4-6(9-12)2-5(8-11)3-7(4)10(13)14/h2-3,8-9,11-12H,1H3", + "name": "2,4-Dihydroxylamino-6-nitrotoluene", + "names": [ + "2,4-Dihydroxylamino-6-nitrotoluene" + ] + }, + { + "compound_id": "C16403", + "inchi": "InChI=1S/C7H9N3O3/c1-4-6(9-11)2-5(8)3-7(4)10(12)13/h2-3,9,11H,8H2,1H3", + "name": "4-Amino-2-hydroxylamino-6-nitrotoluene", + "names": [ + "4-Amino-2-hydroxylamino-6-nitrotoluene" + ] + }, + { + "compound_id": "C16404", + "inchi": "InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+", + "name": "Pinocembrin chalcone", + "names": [ + "Pinocembrin chalcone" + ] + }, + { + "compound_id": "C16405", + "inchi": "InChI=1S/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3/b5-3+", + "name": "Homoeriodictyol chalcone", + "names": [ + "Homoeriodictyol chalcone" + ] + }, + { + "compound_id": "C16406", + "inchi": "InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1", + "name": "Phlorizin chalcone", + "names": [ + "Chalcone 2'-O-glucoside", + "Phlorizin chalcone" + ] + }, + { + "compound_id": "C16407", + "inchi": "InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1", + "name": "2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside", + "names": [ + "2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside", + "THC 4'-glucoside" + ] + }, + { + "compound_id": "C16408", + "inchi": "InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+/t16-,18-,19+,20-,21-/m1/s1", + "name": "2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside", + "names": [ + "2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside", + "PHC 4'-O-glucoside" + ] + }, + { + "compound_id": "C16409", + "inchi": "InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2/b14-4-/t15-,18-,19+,20-,21-/m1/s1", + "name": "Aureusidin 6-O-glucoside", + "names": [ + "Aureusidin 6-O-glucoside" + ] + }, + { + "compound_id": "C16410", + "inchi": "InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)31-8-4-9(23)15-12(5-8)32-13(17(15)27)3-7-1-10(24)16(26)11(25)2-7/h1-5,14,18-26,28-30H,6H2/b13-3-/t14-,18-,19+,20-,21-/m1/s1", + "name": "Bracteatin 6-O-glucoside", + "names": [ + "Bracteatin 6-O-glucoside" + ] + }, + { + "compound_id": "C16411", + "inchi": "InChI=1S/C14H10N6O9/c1-7-11(3-9(17(22)23)5-13(7)19(26)27)15-16(21)12-4-10(18(24)25)6-14(8(12)2)20(28)29/h3-6H,1-2H3/b16-15-", + "name": "4,4',6,6'-Tetranitro-2,2'-azoxytoluene", + "names": [ + "4,4',6,6'-Tetranitro-2,2'-azoxytoluene" + ] + }, + { + "compound_id": "C16412", + "inchi": "InChI=1S/C14H10N6O9/c1-7-11(3-10(17(22)23)6-12(7)18(24)25)15-16(21)9-4-13(19(26)27)8(2)14(5-9)20(28)29/h3-6H,1-2H3/b16-15-", + "name": "2,4',6,6'-Tetranitro-2',4-azoxytoluene", + "names": [ + "2,4',6,6'-Tetranitro-2',4-azoxytoluene" + ] + }, + { + "compound_id": "C16413", + "inchi": "InChI=1S/C14H10N6O9/c1-7-11(17(22)23)3-9(4-12(7)18(24)25)15-16(21)10-5-13(19(26)27)8(2)14(6-10)20(28)29/h3-6H,1-2H3/b16-15-", + "name": "2,2',6,6'-Tetranitro-4,4'-azoxytoluene", + "names": [ + "2,2',6,6'-Tetranitro-4,4'-azoxytoluene" + ] + }, + { + "compound_id": "C16414", + "inchi": "InChI=1S/C7H9N3O4/c1-3-4(8)2-5(9-12)7(11)6(3)10(13)14/h2,9,11-12H,8H2,1H3", + "name": "2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene", + "names": [ + "2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene", + "4-Amino-6-hydroxylamino-3-methyl-2-nitrophenol" + ] + }, + { + "compound_id": "C16415", + "inchi": "InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,13-19H/t13-,14-,15+/m0/s1", + "name": "5-Deoxyleucopelargonidin", + "names": [ + "5-Deoxyleucopelargonidin" + ] + }, + { + "compound_id": "C16416", + "inchi": "InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+", + "name": "Desmethylxanthohumol", + "names": [ + "Desmethylxanthohumol" + ] + }, + { + "compound_id": "C16417", + "inchi": "InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+", + "name": "Xanthohumol", + "names": [ + "Xanthohumol" + ] + }, + { + "compound_id": "C16418", + "inchi": "InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1", + "name": "Pinobanksin 3-O-acetate", + "names": [ + "Pinobanksin 3-O-acetate" + ] + }, + { + "compound_id": "C16419", + "inchi": "InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1", + "name": "Pinostrobin", + "names": [ + "Pinostrobin" + ] + }, + { + "compound_id": "C16420", + "inchi": "InChI=1S/C9H11N3O3/c1-5-8(10)3-7(11-6(2)13)4-9(5)12(14)15/h3-4H,10H2,1-2H3,(H,11,13)", + "name": "4-Acetamido-2-amino-6-nitrotoluene", + "names": [ + "4-Acetamido-2-amino-6-nitrotoluene" + ] + }, + { + "compound_id": "C16421", + "inchi": "InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1", + "name": "AI-2", + "names": [ + "AI-2", + "Autoinducer 2" + ] + }, + { + "compound_id": "C16422", + "inchi": "InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1", + "name": "Hesperetin 7-O-glucoside", + "names": [ + "Hesperetin 7-O-glucoside" + ] + }, + { + "compound_id": "C16423", + "inchi": "InChI=1S/C27H32O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-9,11,18,20-29,31-37H,10H2,1H3/b7-4+/t11-,18+,20-,21+,22+,23-,24+,25?,26?,27+/m0/s1", + "name": "Naringin chalcone", + "names": [ + "Naringin chalcone" + ] + }, + { + "compound_id": "C16424", + "inchi": "InChI=1S/C15H24N5O13P3/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(31-15)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,28,29)(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1", + "name": "Isopentenyladenosine-5'-triphosphate", + "names": [ + "Isopentenyl-ATP", + "Isopentenyladenosine-5'-triphosphate" + ] + }, + { + "compound_id": "C16426", + "inchi": "InChI=1S/C15H23N5O10P2/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(29-15)5-28-32(26,27)30-31(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1", + "name": "Isopentenyladenosine-5'-diphosphate", + "names": [ + "Isopentenyl-ADP", + "Isopentenyladenosine-5'-diphosphate" + ] + }, + { + "compound_id": "C16427", + "inchi": "InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1", + "name": "Isopentenyl adenosine", + "names": [ + "Isopentenyl adenosine" + ] + }, + { + "compound_id": "C16428", + "inchi": "InChI=1S/C15H24N5O14P3/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(32-15)5-31-36(27,28)34-37(29,30)33-35(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,29,30)(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1", + "name": "trans-Zeatin riboside triphosphate", + "names": [ + "trans-Zeatin riboside triphosphate" + ] + }, + { + "compound_id": "C16429", + "inchi": "InChI=1S/C15H23N5O11P2/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(30-15)5-29-33(27,28)31-32(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1", + "name": "trans-Zeatin riboside diphosphate", + "names": [ + "trans-Zeatin riboside diphosphate" + ] + }, + { + "compound_id": "C16430", + "inchi": "InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2+/t9-,11-,12-,15-/m1/s1", + "name": "trans-Zeatin riboside monophosphate", + "names": [ + "trans-Zeatin riboside monophosphate" + ] + }, + { + "compound_id": "C16431", + "inchi": "InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1", + "name": "trans-Zeatin riboside", + "names": [ + "trans-Zeatin riboside" + ] + }, + { + "compound_id": "C16432", + "inchi": "InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1", + "name": "5-Hydroxyectoine", + "names": [ + "5-Hydroxyectoine" + ] + }, + { + "compound_id": "C16433", + "inchi": "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)", + "name": "Aspartate", + "names": [ + "Aspartate", + "Aspartic acid" + ] + }, + { + "compound_id": "C16434", + "inchi": "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)", + "name": "Isoleucine", + "names": [ + "Isoleucine" + ] + }, + { + "compound_id": "C16435", + "inchi": "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)", + "name": "Proline", + "names": [ + "DL-Proline", + "Proline" + ] + }, + { + "compound_id": "C16436", + "inchi": "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)", + "name": "Valine", + "names": [ + "Valine" + ] + }, + { + "compound_id": "C16438", + "inchi": "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)", + "name": "Asparagine", + "names": [ + "Asparagine", + "DL-Asparagine" + ] + }, + { + "compound_id": "C16439", + "inchi": "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)", + "name": "Leucine", + "names": [ + "Leucine" + ] + }, + { + "compound_id": "C16440", + "inchi": "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)", + "name": "Lysine", + "names": [ + "Lysine" + ] + }, + { + "compound_id": "C16441", + "inchi": "InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2-/t9-,11-,12-,15-/m1/s1", + "name": "cis-Zeatin riboside monophosphate", + "names": [ + "cis-Zeatin riboside monophosphate" + ] + }, + { + "compound_id": "C16442", + "inchi": null, + "name": "Asbestos", + "names": [ + "Asbestos" + ] + }, + { + "compound_id": "C16443", + "inchi": "InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1", + "name": "trans-Zeatin-7-beta-D-glucoside", + "names": [ + "trans-Zeatin-7-beta-D-glucoside" + ] + }, + { + "compound_id": "C16444", + "inchi": "InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2", + "name": "Benzidine", + "names": [ + "Benzidine" + ] + }, + { + "compound_id": "C16445", + "inchi": "InChI=1S/C15H24N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h6-9,11-12,15,21-23H,2-5H2,1H3,(H,16,17,18)(H2,24,25,26)/t8?,9-,11-,12-,15-/m1/s1", + "name": "Dihydrozeatin riboside monophosphate", + "names": [ + "Dihydrozeatin riboside monophosphate" + ] + }, + { + "compound_id": "C16446", + "inchi": "InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2", + "name": "Chlornaphazine", + "names": [ + "Chlornaphazine", + "N,N-Bis(2-chloroethyl)-2-naphthylamine" + ] + }, + { + "compound_id": "C16447", + "inchi": "InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)/t8?,9-,11-,12-,15-/m1/s1", + "name": "Dihydrozeatin riboside", + "names": [ + "Dihydrozeatin riboside" + ] + }, + { + "compound_id": "C16448", + "inchi": "InChI=1S/C16H25N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h6-9,11-13,16,22-25H,2-5H2,1H3,(H2,17,18,19,20,21)/t8?,9-,11-,12+,13-,16-/m1/s1", + "name": "Dihydrozeatin-O-glucoside", + "names": [ + "Dihydrozeatin-O-glucoside" + ] + }, + { + "compound_id": "C16449", + "inchi": "InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11-,12-,15-/m1/s1", + "name": "cis-Zeatin riboside", + "names": [ + "cis-Zeatin riboside" + ] + }, + { + "compound_id": "C16450", + "inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2", + "name": "1,3-Butadiene", + "names": [ + "1,3-Butadiene" + ] + }, + { + "compound_id": "C16451", + "inchi": null, + "name": "Coal-tar pitch", + "names": [ + "Coal-tar pitch" + ] + }, + { + "compound_id": "C16452", + "inchi": "InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2", + "name": "N'-Nitrosonornicotine", + "names": [ + "N'-Nitrosonornicotine", + "NNN" + ] + }, + { + "compound_id": "C16453", + "inchi": "InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3", + "name": "4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone", + "names": [ + "4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone", + "NNK" + ] + }, + { + "compound_id": "C16454", + "inchi": "InChI=1/Rn/i1+0", + "name": "Radon-222", + "names": [ + "Radon-222" + ] + }, + { + "compound_id": "C16455", + "inchi": "InChI=1/Ra/i1-2", + "name": "Radium-224", + "names": [ + "Radium-224" + ] + }, + { + "compound_id": "C16456", + "inchi": "InChI=1/Ra/i1+0", + "name": "Radium-226", + "names": [ + "Radium-226" + ] + }, + { + "compound_id": "C16457", + "inchi": "InChI=1/Ra/i1+2", + "name": "Radium-228", + "names": [ + "Radium-228" + ] + }, + { + "compound_id": "C16458", + "inchi": null, + "name": "Shale oils", + "names": [ + "Shale oils", + "oil shale" + ] + }, + { + "compound_id": "C16459", + "inchi": null, + "name": "Crystalline silica", + "names": [ + "Crystalline silica", + "Quartz" + ] + }, + { + "compound_id": "C16460", + "inchi": "InChI=1/Be", + "name": "Beryllium", + "names": [ + "Beryllium" + ] + }, + { + "compound_id": "C16461", + "inchi": "InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+", + "name": "Geranic acid", + "names": [ + "3,7-Dimethylocta-2,6-dienoate", + "Geranic acid" + ] + }, + { + "compound_id": "C16462", + "inchi": "InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)", + "name": "Citronellate", + "names": [ + "3,7-Dimethyl-6-octenoic acid", + "Citronellate", + "Citronellic acid" + ] + }, + { + "compound_id": "C16463", + "inchi": "InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", + "name": "3',5'-Cyclic diGMP", + "names": [ + "3',5'-Cyclic diGMP", + "3',5'-Cyclic diguanylic acid", + "Bis-(3',5')-cyclic diGMP", + "Cyclic di-3',5'-guanylate", + "cdiGMP" + ] + }, + { + "compound_id": "C16464", + "inchi": "InChI=1S/C31H52N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,16-17,19-20,24-26,30,41-42H,6,8-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t19?,20-,24-,25-,26?,30-/m1/s1", + "name": "Citronellyl-CoA", + "names": [ + "Citronellyl-CoA" + ] + }, + { + "compound_id": "C16465", + "inchi": "InChI=1S/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13+/t20-,24-,25-,26?,30-/m1/s1", + "name": "trans-Geranyl-CoA", + "names": [ + "trans-Geranyl-CoA" + ] + }, + { + "compound_id": "C16466", + "inchi": "InChI=1S/C30H48N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h6,15-16,19,23-25,29,41-42H,5,7-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25?,29-/m1/s1", + "name": "7-Methyl-3-oxo-6-octenoyl-CoA", + "names": [ + "7-Methyl-3-oxo-6-octenoyl-CoA" + ] + }, + { + "compound_id": "C16467", + "inchi": null, + "name": "cis-Prenyl-tRNA", + "names": [ + "cis-Prenyl-tRNA", + "tRNA containing N6-(cis-hydroxy)isopentenyladenosine" + ] + }, + { + "compound_id": "C16468", + "inchi": "InChI=1S/C28H44N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h5-7,14-15,17,21-23,27,38-39H,8-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/b7-5+/t17-,21-,22-,23?,27-/m1/s1", + "name": "(2E)-5-Methylhexa-2,4-dienoyl-CoA", + "names": [ + "(2E)-5-Methylhexa-2,4-dienoyl-CoA" + ] + }, + { + "compound_id": "C16469", + "inchi": "InChI=1S/C28H46N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,16-17,21-23,27,36,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16?,17-,21-,22-,23?,27-/m1/s1", + "name": "3-Hydroxy-5-methylhex-4-enoyl-CoA", + "names": [ + "3-Hydroxy-5-methylhex-4-enoyl-CoA" + ] + }, + { + "compound_id": "C16470", + "inchi": "InChI=1S/C28H46N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h6,14-15,17,21-23,27,38-39H,5,7-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1", + "name": "5-Methylhex-4-enoyl-CoA", + "names": [ + "5-Methylhex-4-enoyl-CoA" + ] + }, + { + "compound_id": "C16471", + "inchi": "InChI=1S/C28H44N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,17,21-23,27,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,21-,22-,23?,27-/m1/s1", + "name": "5-Methyl-3-oxo-4-hexenoyl-CoA", + "names": [ + "5-Methyl-3-oxo-4-hexenoyl-CoA" + ] + }, + { + "compound_id": "C16472", + "inchi": "InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H", + "name": "3-Fluorocatechol", + "names": [ + "3-Fluorocatechol" + ] + }, + { + "compound_id": "C16473", + "inchi": "InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H", + "name": "4-Fluorocatechol", + "names": [ + "4-Fluorocatechol" + ] + }, + { + "compound_id": "C16474", + "inchi": "InChI=1S/C6H5FO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+", + "name": "3-Fluoro-cis,cis-muconate", + "names": [ + "3-Fluoro-cis,cis-muconate" + ] + }, + { + "compound_id": "C16475", + "inchi": "InChI=1S/C6H5FO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1-,4-2+", + "name": "2-Fluoro-cis,cis-muconate", + "names": [ + "2-Fluoro-cis,cis-muconate" + ] + }, + { + "compound_id": "C16476", + "inchi": "InChI=1S/C6H5FO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)", + "name": "4-Fluoromuconolactone", + "names": [ + "4-Fluoromuconolactone" + ] + }, + { + "compound_id": "C16477", + "inchi": "InChI=1S/C6H5FO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)", + "name": "5-Fluoromuconolactone", + "names": [ + "5-Fluoromuconolactone" + ] + }, + { + "compound_id": "C16478", + "inchi": "InChI=1S/C7H7FO4/c8-4-2-1-3-7(12,5(4)9)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1", + "name": "3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", + "names": [ + "3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" + ] + }, + { + "compound_id": "C16479", + "inchi": "InChI=1S/C7H7FO4/c8-4-1-2-5(9)7(12,3-4)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m1/s1", + "name": "5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", + "names": [ + "5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" + ] + }, + { + "compound_id": "C16480", + "inchi": "InChI=1S/C7H7FO4/c8-4-1-2-7(12,6(10)11)5(9)3-4/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1", + "name": "4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", + "names": [ + "4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" + ] + }, + { + "compound_id": "C16481", + "inchi": "InChI=1S/C7H7FO4/c8-4-2-1-3-5(9)7(4,12)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1", + "name": "6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", + "names": [ + "6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" + ] + }, + { + "compound_id": "C16482", + "inchi": "InChI=1S/C7H7FO4/c8-7(12)4-2-1-3-6(7,11)5(9)10/h1-4,11-12H,(H,9,10)/t6-,7-/m0/s1", + "name": "2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate", + "names": [ + "2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate" + ] + }, + { + "compound_id": "C16483", + "inchi": "InChI=1S/C6H7FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H/t5-,6+/m0/s1", + "name": "4-Fluorocyclohexadiene-cis,cis-1,2-diol", + "names": [ + "4-Fluorocyclohexadiene-cis,cis-1,2-diol" + ] + }, + { + "compound_id": "C16484", + "inchi": "InChI=1S/C6H7FO2/c7-6(9)4-2-1-3-5(6)8/h1-5,8-9H/t5-,6+/m0/s1", + "name": "1-Fluorocyclohexadiene-cis,cis-1,2-diol", + "names": [ + "1-Fluorocyclohexadiene-cis,cis-1,2-diol" + ] + }, + { + "compound_id": "C16485", + "inchi": "InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H", + "name": "4-Fluorophenol", + "names": [ + "4-Fluorophenol" + ] + }, + { + "compound_id": "C16486", + "inchi": null, + "name": "Astaxanthin diester", + "names": [ + "Astaxanthin diester" + ] + }, + { + "compound_id": "C16487", + "inchi": "InChI=1S/FH/h1H", + "name": "Hydrofluoric acid", + "names": [ + "Fluoride", + "Hydrofluoric acid", + "Hydrogen fluoride" + ] + }, + { + "compound_id": "C16488", + "inchi": "InChI=1S/C12H24N2O7/c13-7(12(20)21)3-1-2-4-14-5-8(16)10(18)11(19)9(17)6-15/h7,9-11,14-15,17-19H,1-6,13H2,(H,20,21)", + "name": "Fructoselysine", + "names": [ + "Fructoselysine" + ] + }, + { + "compound_id": "C16489", + "inchi": "InChI=1S/C12H25N2O10P/c13-7(12(19)20)3-1-2-4-14-5-8(15)10(17)11(18)9(16)6-24-25(21,22)23/h7,9-11,14,16-18H,1-6,13H2,(H,19,20)(H2,21,22,23)", + "name": "Fructoselysine 6-phosphate", + "names": [ + "Fructoselysine 6-phosphate" + ] + }, + { + "compound_id": "C16490", + "inchi": "InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18+,20+,21+,22-,25?,26?,27+/m1/s1", + "name": "Kaempferol 3-O-beta-D-glucosylgalactoside", + "names": [ + "Kaempferol 3-O-beta-D-glucosylgalactoside" + ] + }, + { + "compound_id": "C16491", + "inchi": "InChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16+,19-,20+,22-,23+,24-,25+,26-/m0/s1", + "name": "Isovitexin 2''-O-arabinoside", + "names": [ + "Isovitexin 2''-O-arabinoside" + ] + }, + { + "compound_id": "C16492", + "inchi": "InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13?,14-,17-,18+,19-,21+/m1/s1", + "name": "8-C-Glucosylnaringenin", + "names": [ + "8-C-Glucosylnaringenin" + ] + }, + { + "compound_id": "C16493", + "inchi": "InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27-/m1/s1", + "name": "3beta,5beta-Ketodiol", + "names": [ + "2,22,25-Trideoxyecdysone", + "3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one", + "3beta,5beta-Ketodiol" + ] + }, + { + "compound_id": "C16494", + "inchi": "InChI=1S/C27H44O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-20,22,28,30-31H,6-15H2,1-5H3/t17-,18+,19-,20+,22+,25-,26-,27-/m1/s1", + "name": "3beta,5beta-Ketotriol", + "names": [ + "2,22-Dideoxyecdysone", + "3beta,5beta-Ketotriol" + ] + }, + { + "compound_id": "C16495", + "inchi": "InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22?,25+,26+,27+/m0/s1", + "name": "2-Deoxyecdysone", + "names": [ + "2-Deoxyecdysone" + ] + }, + { + "compound_id": "C16496", + "inchi": "InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20?,22-,23-,25+,26+,27+/m0/s1", + "name": "3-Epiecdysone", + "names": [ + "3-Epiecdysone" + ] + }, + { + "compound_id": "C16497", + "inchi": "InChI=1S/C27H42O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-16,18-19,21-22,29,31-32H,6-14H2,1-5H3/t16-,18+,19-,21-,22?,25+,26+,27+/m0/s1", + "name": "3-Dehydro-2-deoxyecdysone", + "names": [ + "3-Dehydro-2-deoxyecdysone" + ] + }, + { + "compound_id": "C16498", + "inchi": "InChI=1S/C27H42O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-17,19-20,22,30-31H,6-15H2,1-5H3/t17-,19-,20+,22+,25-,26-,27-/m1/s1", + "name": "2,22-Dideoxy-3-dehydroecdysone", + "names": [ + "2,22-Dideoxy-3-dehydroecdysone" + ] + }, + { + "compound_id": "C16499", + "inchi": "InChI=1S/C27H44O7/c1-15(20(29)7-8-24(2,33)14-28)16-6-10-27(34)18-11-21(30)19-12-22(31)23(32)13-25(19,3)17(18)5-9-26(16,27)4/h11,15-17,19-20,22-23,28-29,31-34H,5-10,12-14H2,1-4H3/t15-,16+,17-,19-,20?,22+,23-,24?,25+,26+,27+/m0/s1", + "name": "26-Hydroxyecdysone", + "names": [ + "26-Hydroxyecdysone" + ] + }, + { + "compound_id": "C16500", + "inchi": "InChI=1S/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3/t15-,17-,19+,20-,21-,22-,23?,24+,25+,26?,27+/m0/s1", + "name": "20,26-Dihydroxyecdysone", + "names": [ + "20,26-Dihydroxyecdysone" + ] + }, + { + "compound_id": "C16501", + "inchi": null, + "name": "Farnesal", + "names": [ + "Farnesal" + ] + }, + { + "compound_id": "C16502", + "inchi": "InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/b13-9+,14-11+", + "name": "Farnesoic acid", + "names": [ + "Farnesoic acid", + "trans,trans-Farnesoic acid" + ] + }, + { + "compound_id": "C16503", + "inchi": "InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+,15-12+", + "name": "Methyl farnesoate", + "names": [ + "Methyl farnesoate" + ] + }, + { + "compound_id": "C16504", + "inchi": "InChI=1S/C15H24O3/c1-11(8-9-13-15(3,4)18-13)6-5-7-12(2)10-14(16)17/h6,10,13H,5,7-9H2,1-4H3,(H,16,17)/b11-6+,12-10+/t13-/m1/s1", + "name": "Juvenile hormone III acid", + "names": [ + "Juvenile hormone III acid" + ] + }, + { + "compound_id": "C16505", + "inchi": "InChI=1S/C16H28O4/c1-12(9-10-14(17)16(3,4)19)7-6-8-13(2)11-15(18)20-5/h7,11,14,17,19H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m0/s1", + "name": "(10S)-Juvenile hormone III diol", + "names": [ + "(10S)-Juvenile hormone III diol" + ] + }, + { + "compound_id": "C16506", + "inchi": "InChI=1S/C15H26O4/c1-11(8-9-13(16)15(3,4)19)6-5-7-12(2)10-14(17)18/h6,10,13,16,19H,5,7-9H2,1-4H3,(H,17,18)/b11-6+,12-10+/t13-/m0/s1", + "name": "(10S)-Juvenile hormone III acid diol", + "names": [ + "(10S)-Juvenile hormone III acid diol" + ] + }, + { + "compound_id": "C16507", + "inchi": "InChI=1S/C16H29O7P/c1-12(7-6-8-13(2)11-15(17)22-5)9-10-14(16(3,4)18)23-24(19,20)21/h7,11,14,18H,6,8-10H2,1-5H3,(H2,19,20,21)/b12-7+,13-11+/t14-/m0/s1", + "name": "(10S)-Juvenile hormone III diol phosphate", + "names": [ + "(10S)-Juvenile hormone III diol phosphate" + ] + }, + { + "compound_id": "C16508", + "inchi": "InChI=1S/C16H26O4/c1-12(8-9-14-16(3,11-17)20-14)6-5-7-13(2)10-15(18)19-4/h6,10,14,17H,5,7-9,11H2,1-4H3/b12-6+,13-10+/t14-,16-/m1/s1", + "name": "12-trans-Hydroxy juvenile hormone III", + "names": [ + "12-trans-Hydroxy juvenile hormone III" + ] + }, + { + "compound_id": "C16509", + "inchi": "InChI=1/C27H42O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-18,20-21,23,30H,6-15H2,1-5H3/t18-,20-,21+,23+,25-,26-,27-/m1/s1", + "name": "14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione", + "names": [ + "14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione" + ] + }, + { + "compound_id": "C16510", + "inchi": null, + "name": "C5a anaphylatoxin", + "names": [ + "C5a anaphylatoxin" + ] + }, + { + "compound_id": "C16511", + "inchi": "InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1", + "name": "L-Homocysteic acid", + "names": [ + "(2S)-2-Amino-4-sulfobutanoic acid", + "L-Homocysteic acid" + ] + }, + { + "compound_id": "C16512", + "inchi": "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)", + "name": "Palmitoylethanolamide", + "names": [ + "Palmidrol", + "Palmitoylethanolamide" + ] + }, + { + "compound_id": "C16513", + "inchi": "InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-", + "name": "(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid", + "names": [ + "(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid", + "Docosapentaenoic acid" + ] + }, + { + "compound_id": "C16514", + "inchi": null, + "name": "Beta-amyloid protein 40", + "names": [ + "Beta-amyloid protein 40" + ] + }, + { + "compound_id": "C16515", + "inchi": null, + "name": "Beta-amyloid protein 42", + "names": [ + "Beta-amyloid protein 42" + ] + }, + { + "compound_id": "C16516", + "inchi": "InChI=1S/C10H10N2OS/c13-12-10(14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11,13H,5H2,(H,12,14)", + "name": "Indolylmethylthiohydroximate", + "names": [ + "Indolylmethylthiohydroximate" + ] + }, + { + "compound_id": "C16517", + "inchi": "InChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16+/m1/s1", + "name": "Indolylmethyl-desulfoglucosinolate", + "names": [ + "Indolylmethyl-desulfoglucosinolate" + ] + }, + { + "compound_id": "C16518", + "inchi": "InChI=1S/C13H15N3O3S/c14-10(13(17)18)7-20-12(16-19)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15,19H,5,7,14H2,(H,17,18)/b16-12-/t10-/m0/s1", + "name": "S-(Indolylmethylthiohydroximoyl)-L-cysteine", + "names": [ + "S-(Indolylmethylthiohydroximoyl)-L-cysteine" + ] + }, + { + "compound_id": "C16519", + "inchi": "InChI=1S/C14H16O9/c1-6(13(19)20)23-9-4-2-7(8(15)3-5-10(16)17)11(12(9)18)14(21)22/h2,4,7,9,11-12,18H,1,3,5H2,(H,16,17)(H,19,20)(H,21,22)/t7-,9+,11-,12-/m1/s1", + "name": "2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate", + "names": [ + "2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate", + "5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate" + ] + }, + { + "compound_id": "C16520", + "inchi": null, + "name": "Hexadecenoyl-[acyl-carrier protein]", + "names": [ + "Hexadecenoyl-[acyl-carrier protein]" + ] + }, + { + "compound_id": "C16521", + "inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3", + "name": "Isoprene", + "names": [ + "2-Methyl-1,3-butadiene", + "Isoprene" + ] + }, + { + "compound_id": "C16522", + "inchi": "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-", + "name": "Icosatrienoic acid", + "names": [ + "(11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acid", + "(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid", + "11,14,17-Eicosatrienoic acid", + "11,14,17-Icosatrienoic acid", + "ETA", + "Eicosatrienoic acid", + "Icosatrienoic acid" + ] + }, + { + "compound_id": "C16523", + "inchi": "InChI=1S/C40H47NO12/c1-21-27(51-30(45)17-26(41)24-13-9-7-10-14-24)19-40(48)35(52-36(47)25-15-11-8-12-16-25)33-38(6,28(44)18-29-39(33,20-49-29)53-23(3)43)34(46)32(50-22(2)42)31(21)37(40,4)5/h7-16,26-29,32-33,35,44,48H,17-20,41H2,1-6H3/t26-,27+,28+,29-,32-,33?,35+,38-,39+,40-/m1/s1", + "name": "3'-N-Debenzoyl-2'-deoxytaxol", + "names": [ + "13-O-beta-Phenylalanoylbaccatin III", + "3'-N-Debenzoyl-2'-deoxytaxol", + "beta-Phenylalanoyl baccatin III" + ] + }, + { + "compound_id": "C16524", + "inchi": "InChI=1S/C40H47NO13/c1-20-25(52-36(48)30(45)29(41)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(44)17-27-39(32,19-50-27)54-22(3)43)33(46)31(51-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,49H,17-19,41H2,1-6H3/t25-,26-,27+,29-,30+,31+,32?,34-,38+,39-,40+/m0/s1", + "name": "3'-N-Debenzoyltaxol", + "names": [ + "13-O-3-Phenylisoserinoyl baccatin III", + "3'-N-Debenzoyltaxol" + ] + }, + { + "compound_id": "C16525", + "inchi": "InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-", + "name": "Icosadienoic acid", + "names": [ + "(11Z,14Z)-Eicosa-11,14-dienoic acid", + "(11Z,14Z)-Icosa-11,14-dienoic acid", + "11,14-Eicosadienoic acid", + "11,14-Icosadienoic acid", + "Eicosadienoic acid", + "Icosadienoic acid" + ] + }, + { + "compound_id": "C16526", + "inchi": "InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-", + "name": "Icosenoic acid", + "names": [ + "(11Z)-Eicosenoic acid", + "(11Z)-Icosenoic acid", + "(Z)-Icosa-11-enoic acid", + "11-Eicosenoic acid", + "11-Icosenoic acid", + "Eicosenoic acid", + "Icosenoic acid" + ] + }, + { + "compound_id": "C16527", + "inchi": "InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-", + "name": "7,10,13,16-Docosatetraenoic acid", + "names": [ + "(7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid", + "7,10,13,16-Docosatetraenoic acid", + "Adrenic acid" + ] + }, + { + "compound_id": "C16528", + "inchi": "InChI=1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/t32-,36-,37-,38?,42-/m1/s1", + "name": "Docosanoyl-CoA", + "names": [ + "Behenoyl-CoA", + "Docosanoyl-CoA" + ] + }, + { + "compound_id": "C16529", + "inchi": "InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40?,44-/m1/s1", + "name": "Tetracosanoyl-CoA", + "names": [ + "Lignoceroyl-CoA", + "Tetracosanoyl-CoA" + ] + }, + { + "compound_id": "C16530", + "inchi": "InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-/t30-,34-,35-,36?,40-/m1/s1", + "name": "Icosenoyl-CoA", + "names": [ + "(11Z)-Eicosenoyl-CoA", + "(11Z)-Icosenoyl-CoA", + "Eicosenoyl-CoA", + "Icosenoyl-CoA" + ] + }, + { + "compound_id": "C16531", + "inchi": "InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11-/t32-,36-,37-,38?,42-/m1/s1", + "name": "Docosenoyl-CoA", + "names": [ + "(13Z)-Docosenoyl-CoA", + "Docosenoyl-CoA" + ] + }, + { + "compound_id": "C16532", + "inchi": "InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b12-11-/t34-,38-,39-,40?,44-/m1/s1", + "name": "Tetracosenoyl-CoA", + "names": [ + "(15Z)-Tetracosenoyl-CoA", + "Nervonoyl-CoA", + "Tetracosenoyl-CoA" + ] + }, + { + "compound_id": "C16533", + "inchi": "InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-", + "name": "13,16-Docosadienoic acid", + "names": [ + "(13Z,16Z)-Docosa-13,16-dienoic acid", + "13,16-Docosadienoic acid" + ] + }, + { + "compound_id": "C16534", + "inchi": "InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3+,7-6+,10-9+", + "name": "13,16,19-Docosatrienoic acid", + "names": [ + "(13E,16E,19E)-Docosa-13,16,19-trienoic acid", + "13,16,19-Docosatrienoic acid" + ] + }, + { + "compound_id": "C16535", + "inchi": "InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)", + "name": "Nonadecanoic acid", + "names": [ + "Nonadecanoic acid", + "Nonadecylic acid" + ] + }, + { + "compound_id": "C16536", + "inchi": "InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8+", + "name": "9E-Heptadecenoic acid", + "names": [ + "(E)-Heptadec-9-enoic acid", + "9E-Heptadecenoic acid" + ] + }, + { + "compound_id": "C16537", + "inchi": "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)", + "name": "Pentadecanoic acid", + "names": [ + "Pentadecanoic acid", + "Pentadecylic acid", + "n-Pentadecanoic acid" + ] + }, + { + "compound_id": "C16538", + "inchi": "InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1", + "name": "1,5-Anhydro-D-mannitol", + "names": [ + "1,5-Anhydro-D-mannitol" + ] + }, + { + "compound_id": "C16540", + "inchi": "InChI=1S/C35H36N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-13,16,20,31,40H,1,8-10,14H2,2-6H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1", + "name": "7-Hydroxychlorophyllide a", + "names": [ + "7-Hydroxychlorophyllide a" + ] + }, + { + "compound_id": "C16541", + "inchi": "InChI=1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1", + "name": "Chlorophyllide b", + "names": [ + "Chlorophyllide b" + ] + }, + { + "compound_id": "C16542", + "inchi": "InChI=1S/C33H38N4O8/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39)/t33-/m0/s1", + "name": "APC", + "names": [ + "APC" + ] + }, + { + "compound_id": "C16543", + "inchi": "InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1", + "name": "NPC", + "names": [ + "NPC" + ] + }, + { + "compound_id": "C16544", + "inchi": "InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-", + "name": "alpha-Hydroxytamoxifen", + "names": [ + "alpha-Hydroxytamoxifen" + ] + }, + { + "compound_id": "C16545", + "inchi": "InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-", + "name": "Tamoxifen N-oxide", + "names": [ + "Tamoxifen N-oxide" + ] + }, + { + "compound_id": "C16546", + "inchi": "InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-", + "name": "N-Desmethyltamoxifen", + "names": [ + "N-Desmethyltamoxifen" + ] + }, + { + "compound_id": "C16547", + "inchi": "InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-", + "name": "4-Hydroxy-N-desmethyltamoxifen", + "names": [ + "4-Hydroxy-N-desmethyltamoxifen", + "Endoxifen" + ] + }, + { + "compound_id": "C16548", + "inchi": "InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23-", + "name": "N,N-Didesmethyltamoxifen", + "names": [ + "N,N-Didesmethyltamoxifen" + ] + }, + { + "compound_id": "C16549", + "inchi": "InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-", + "name": "alpha-Hydroxy-N-desmethyltamoxifen", + "names": [ + "alpha-Hydroxy-N-desmethyltamoxifen" + ] + }, + { + "compound_id": "C16550", + "inchi": "InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)", + "name": "Dechloroethylcyclophosphamide", + "names": [ + "3-Dechloroethylifosfamide", + "Dechloroethylcyclophosphamide" + ] + }, + { + "compound_id": "C16551", + "inchi": "InChI=1S/C7H17Cl2N2O3P/c8-2-4-11(5-3-9)15(10,13)14-7-1-6-12/h12H,1-7H2,(H2,10,13)", + "name": "Alcophosphamide", + "names": [ + "Alcophosphamide" + ] + }, + { + "compound_id": "C16552", + "inchi": "InChI=1S/C4H9Cl2N/c5-1-3-7-4-2-6/h7H,1-4H2", + "name": "Nornitrogen mustard", + "names": [ + "Nornitrogen mustard" + ] + }, + { + "compound_id": "C16553", + "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)", + "name": "4-Hydroxyifosfamide", + "names": [ + "4-Hydroxyifosfamide" + ] + }, + { + "compound_id": "C16554", + "inchi": "InChI=1S/C7H13Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h1-6H2,(H,10,13)", + "name": "4-Ketoifosfamide", + "names": [ + "4-Ketoifosfamide" + ] + }, + { + "compound_id": "C16555", + "inchi": "InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)", + "name": "2-Dechloroethylifosfamide", + "names": [ + "2-Dechloroethylifosfamide" + ] + }, + { + "compound_id": "C16556", + "inchi": "InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h6H,1-5,7H2,(H2,10,11,13)", + "name": "Aldoifosfamide", + "names": [ + "Aldoifosfamide" + ] + }, + { + "compound_id": "C16557", + "inchi": "InChI=1S/C7H15Cl2N2O4P/c8-2-4-10-16(14,11-5-3-9)15-6-1-7(12)13/h1-6H2,(H,12,13)(H2,10,11,14)", + "name": "Carboxyifosfamide", + "names": [ + "Carboxyifosfamide" + ] + }, + { + "compound_id": "C16558", + "inchi": "InChI=1S/C7H17Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h12H,1-7H2,(H2,10,11,13)", + "name": "Alcoifosfamide", + "names": [ + "Alcoifosfamide" + ] + }, + { + "compound_id": "C16559", + "inchi": "InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)", + "name": "Isophosphamide mustard", + "names": [ + "Isophosphamide mustard" + ] + }, + { + "compound_id": "C16560", + "inchi": "InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18)", + "name": "3-Hydroxylidocaine", + "names": [ + "3-Hydroxylidocaine" + ] + }, + { + "compound_id": "C16561", + "inchi": "InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)", + "name": "Monoethylglycinexylidide", + "names": [ + "Monoethylglycinexylidide" + ] + }, + { + "compound_id": "C16562", + "inchi": "InChI=1S/C20H41N7O5S/c21-7-3-10-23-8-1-2-9-24-11-4-12-25-18(29)13-26-19(30)16(14-33)27-17(28)6-5-15(22)20(31)32/h15-16,23-24,33H,1-14,21-22H2,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t15-,16-/m0/s1", + "name": "Glutathionylspermine", + "names": [ + "Glutathionylspermine" + ] + }, + { + "compound_id": "C16563", + "inchi": "InChI=1S/C30H56N10O10S2/c31-19(29(47)48)5-7-23(41)39-21(17-51)27(45)37-15-25(43)35-13-3-11-33-9-1-2-10-34-12-4-14-36-26(44)16-38-28(46)22(18-52)40-24(42)8-6-20(32)30(49)50/h19-22,33-34,51-52H,1-18,31-32H2,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,41)(H,40,42)(H,47,48)(H,49,50)/t19-,20-,21-,22-/m0/s1", + "name": "Bis(glutathionyl)spermine", + "names": [ + "Bis(glutathionyl)spermine", + "N1,N12-Bis(glutathionyl)spermine" + ] + }, + { + "compound_id": "C16564", + "inchi": "InChI=1S/C30H54N10O10S2/c31-19(29(47)48)5-7-23(41)39-21-17-51-52-18-22(40-24(42)8-6-20(32)30(49)50)28(46)38-16-26(44)36-14-4-12-34-10-2-1-9-33-11-3-13-35-25(43)15-37-27(21)45/h19-22,33-34H,1-18,31-32H2,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,41)(H,40,42)(H,47,48)(H,49,50)/t19-,20-,21-,22-/m0/s1", + "name": "Bis(glutathionyl)spermine disulfide", + "names": [ + "Bis(glutathionyl)spermine disulfide" + ] + }, + { + "compound_id": "C16565", + "inchi": "InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2", + "name": "Aminopropylcadaverine", + "names": [ + "Aminopropylcadaverine" + ] + }, + { + "compound_id": "C16566", + "inchi": "InChI=1S/C18H36N6O5S/c19-7-2-1-3-8-21-9-4-10-22-16(26)11-23-17(27)14(12-30)24-15(25)6-5-13(20)18(28)29/h13-14,21,30H,1-12,19-20H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t13-,14-/m0/s1", + "name": "Glutathionylaminopropylcadaverine", + "names": [ + "Glutathionylaminopropylcadaverine" + ] + }, + { + "compound_id": "C16567", + "inchi": "InChI=1S/C28H51N9O10S2/c29-17(27(44)45)5-7-21(38)36-19(15-48)25(42)34-13-23(40)32-11-3-1-2-9-31-10-4-12-33-24(41)14-35-26(43)20(16-49)37-22(39)8-6-18(30)28(46)47/h17-20,31,48-49H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/m0/s1", + "name": "Homotrypanothione", + "names": [ + "Homotrypanothione", + "N1,N9-Bis(glutathionyl)aminopropylcadaverine" + ] + }, + { + "compound_id": "C16568", + "inchi": "InChI=1S/C28H49N9O10S2/c29-17(27(44)45)5-7-21(38)36-19-15-48-49-16-20(37-22(39)8-6-18(30)28(46)47)26(43)35-14-24(41)33-12-4-10-31-9-2-1-3-11-32-23(40)13-34-25(19)42/h17-20,31H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/m0/s1", + "name": "Homotrypanothione disulfide", + "names": [ + "Homotrypanothione disulfide" + ] + }, + { + "compound_id": "C16569", + "inchi": "InChI=1S/C10H14N2O/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)", + "name": "Glycinexylidide", + "names": [ + "GX", + "Glycinexylidide" + ] + }, + { + "compound_id": "C16570", + "inchi": "InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3", + "name": "4-Hydroxy-2,6-dimethylaniline", + "names": [ + "3,5-Dimethyl-4-aminophenol", + "4-Hydroxy-2,6-dimethylaniline" + ] + }, + { + "compound_id": "C16571", + "inchi": "InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)", + "name": "2-Amino-3-methylbenzoate", + "names": [ + "2-Amino-3-methylbenzoate" + ] + }, + { + "compound_id": "C16572", + "inchi": "InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-6-10(15)9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)", + "name": "3-Hydroxymonoethylglycinexylidide", + "names": [ + "3-Hydroxymonoethylglycinexylidide" + ] + }, + { + "compound_id": "C16573", + "inchi": "InChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)/t14-/m0/s1", + "name": "3'-Hydroxyropivacaine", + "names": [ + "3'-Hydroxyropivacaine" + ] + }, + { + "compound_id": "C16574", + "inchi": "InChI=1S/C17H26N2O2/c1-4-8-19-9-6-5-7-15(19)17(21)18-16-12(2)10-14(20)11-13(16)3/h10-11,15,20H,4-9H2,1-3H3,(H,18,21)/t15-/m0/s1", + "name": "4'-Hydroxyropivacaine", + "names": [ + "4'-Hydroxyropivacaine" + ] + }, + { + "compound_id": "C16575", + "inchi": "InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1", + "name": "(S)-2',6'-Pipecoloxylidide", + "names": [ + "(S)-2',6'-Pipecoloxylidide" + ] + }, + { + "compound_id": "C16576", + "inchi": "InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1", + "name": "Norcodeine", + "names": [ + "N-Desmethylcodeine", + "Norcodeine" + ] + }, + { + "compound_id": "C16577", + "inchi": "InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14?,16-,17-,18+,20-,21-,23?,24-/m0/s1", + "name": "Codeine-6-glucuronide", + "names": [ + "Codeine-6-glucuronide" + ] + }, + { + "compound_id": "C16578", + "inchi": "InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13?,15-,16-,17+,19-,20-,22?,23-/m0/s1", + "name": "Morphine-6-glucuronide", + "names": [ + "Morphine-6-glucuronide" + ] + }, + { + "compound_id": "C16579", + "inchi": "InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3+", + "name": "trans-Homoaconitate", + "names": [ + "(E)-1,2,4-But-1-enetricarboxylic acid", + "trans-Homoaconitate" + ] + }, + { + "compound_id": "C16581", + "inchi": null, + "name": "D-threo-Aldono-1,5-lactone", + "names": [ + "(2S,3R)-Aldono-1,5-lactone", + "D-threo-Aldono-1,5-lactone" + ] + }, + { + "compound_id": "C16582", + "inchi": "InChI=1S/C11H14N2O5/c12-9(14)17-6-11(16,7-18-10(13)15)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,14)(H2,13,15)", + "name": "2-Hydroxyfelbamate", + "names": [ + "2-Hydroxyfelbamate" + ] + }, + { + "compound_id": "C16583", + "inchi": "InChI=1S/C8H12O7/c9-5(10)2-1-3-8(15,7(13)14)4-6(11)12/h15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)/t8-/m1/s1", + "name": "(R)-(Homo)2-citrate", + "names": [ + "(R)-(Homo)2-citrate" + ] + }, + { + "compound_id": "C16584", + "inchi": "InChI=1S/C11H14N2O5/c12-10(15)17-5-8(6-18-11(13)16)7-1-3-9(14)4-2-7/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)", + "name": "p-Hydroxyfelbamate", + "names": [ + "p-Hydroxyfelbamate" + ] + }, + { + "compound_id": "C16586", + "inchi": "InChI=1S/C10H13NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)", + "name": "2-Phenyl-1,3-propanediol monocarbamate", + "names": [ + "2-Phenyl-1,3-propanediol monocarbamate" + ] + }, + { + "compound_id": "C16587", + "inchi": "InChI=1S/C10H11NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-6,9H,7H2,(H2,11,13)", + "name": "3-Carbamoyl-2-phenylpropionaldehyde", + "names": [ + "3-Carbamoyl-2-phenylpropionaldehyde" + ] + }, + { + "compound_id": "C16588", + "inchi": "InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)", + "name": "2-Oxopimelate", + "names": [ + "2-Oxoheptanedionic acid", + "2-Oxopimelate", + "alpha-Ketopimelate" + ] + }, + { + "compound_id": "C16589", + "inchi": "InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)", + "name": "2-Oxosuberate", + "names": [ + "2-Oxooctanedionic acid", + "2-Oxosuberate", + "alpha-Ketosuberate" + ] + }, + { + "compound_id": "C16590", + "inchi": "InChI=1S/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)", + "name": "7-Oxoheptanoic acid", + "names": [ + "7-Ketoheptanoic acid", + "7-Oxoheptanoic acid" + ] + }, + { + "compound_id": "C16591", + "inchi": "InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)", + "name": "3-Carbamoyl-2-phenylpropionic acid", + "names": [ + "3-Carbamoyl-2-phenylpropionic acid" + ] + }, + { + "compound_id": "C16592", + "inchi": "InChI=1S/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H2", + "name": "Atropaldehyde", + "names": [ + "2-Phenylpropenal", + "Atropaldehyde" + ] + }, + { + "compound_id": "C16593", + "inchi": "InChI=1S/C7H14O2S/c8-7(9)5-3-1-2-4-6-10/h10H,1-6H2,(H,8,9)", + "name": "7-Mercaptoheptanoic acid", + "names": [ + "7-Mercaptoheptanoic acid" + ] + }, + { + "compound_id": "C16594", + "inchi": "InChI=1S/C11H21NO4S/c1-8(13)10(11(15)16)12-9(14)6-4-2-3-5-7-17/h8,10,13,17H,2-7H2,1H3,(H,12,14)(H,15,16)/t8-,10+/m1/s1", + "name": "7-Mercaptoheptanoylthreonine", + "names": [ + "7-Mercaptoheptanoylthreonine" + ] + }, + { + "compound_id": "C16595", + "inchi": "InChI=1S/C10H11NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,11,13)", + "name": "4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one", + "names": [ + "4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one" + ] + }, + { + "compound_id": "C16596", + "inchi": "InChI=1S/C10H9NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)", + "name": "5-Phenyl-1,3-oxazinane-2,4-dione", + "names": [ + "5-Phenyl-1,3-oxazinane-2,4-dione" + ] + }, + { + "compound_id": "C16597", + "inchi": "InChI=1S/C8H12O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h4,6,11H,1-3H2,(H,9,10)(H,12,13)(H,14,15)/t4-,6+/m0/s1", + "name": "1-Hydroxypentane-1,2,5-tricarboxylate", + "names": [ + "1-Hydroxypentane-1,2,5-tricarboxylate" + ] + }, + { + "compound_id": "C16598", + "inchi": "InChI=1S/C9H14O7/c10-6(11)3-1-2-4-9(16,8(14)15)5-7(12)13/h16H,1-5H2,(H,10,11)(H,12,13)(H,14,15)/t9-/m1/s1", + "name": "(R)-(Homo)3-citrate", + "names": [ + "(R)-(Homo)3-citrate" + ] + }, + { + "compound_id": "C16600", + "inchi": "InChI=1S/C9H14O7/c10-6(11)4-2-1-3-5(8(13)14)7(12)9(15)16/h5,7,12H,1-4H2,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m0/s1", + "name": "1-Hydroxyhexane-1,2,6-tricarboxylate", + "names": [ + "1-Hydroxyhexane-1,2,6-tricarboxylate" + ] + }, + { + "compound_id": "C16601", + "inchi": "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)", + "name": "2-Hydroxycarbamazepine", + "names": [ + "2-Hydroxycarbamazepine" + ] + }, + { + "compound_id": "C16602", + "inchi": "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)", + "name": "3-Hydroxycarbamazepine", + "names": [ + "3-Hydroxycarbamazepine" + ] + }, + { + "compound_id": "C16603", + "inchi": "InChI=1S/C15H12N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8,18-19H,(H2,16,20)", + "name": "2,3-Dihydroxycarbamazepine", + "names": [ + "2,3-Dihydroxycarbamazepine" + ] + }, + { + "compound_id": "C16604", + "inchi": "InChI=1S/C14H11NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9,15-16H", + "name": "2-Hydroxyiminostilbene", + "names": [ + "2-Hydroxyiminostilbene" + ] + }, + { + "compound_id": "C16605", + "inchi": "InChI=1S/C14H9NO/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14/h1-9H", + "name": "2H-Dibenz[b,f]azepin-2-one", + "names": [ + "2H-Dibenz[b,f]azepin-2-one" + ] + }, + { + "compound_id": "C16606", + "inchi": "InChI=1S/C15H10N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8H,(H2,16,20)", + "name": "Carbamazepine-o-quinone", + "names": [ + "Carbamazepine-o-quinone" + ] + }, + { + "compound_id": "C16607", + "inchi": "InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3", + "name": "Citalopram N-oxide", + "names": [ + "Citalopram N-oxide" + ] + }, + { + "compound_id": "C16608", + "inchi": "InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3", + "name": "Demethylcitalopram", + "names": [ + "Demethylcitalopram" + ] + }, + { + "compound_id": "C16609", + "inchi": "InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2", + "name": "Didemethylcitalopram", + "names": [ + "Didemethylcitalopram" + ] + }, + { + "compound_id": "C16610", + "inchi": "InChI=1S/C18H14FNO3/c19-15-4-2-14(3-5-15)18(8-7-17(21)22)16-6-1-12(10-20)9-13(16)11-23-18/h1-6,9H,7-8,11H2,(H,21,22)", + "name": "Citalopram propionic acid", + "names": [ + "Citalopram propionic acid" + ] + }, + { + "compound_id": "C16611", + "inchi": "InChI=1S/C19H18FNO2/c20-17-6-4-16(5-7-17)19(9-1-2-10-22)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,1-2,9-10,13H2", + "name": "Citalopram alcohol", + "names": [ + "Citalopram alcohol" + ] + }, + { + "compound_id": "C16612", + "inchi": "InChI=1S/C18H14FNO2/c19-16-5-3-15(4-6-16)18(8-1-9-21)17-7-2-13(11-20)10-14(17)12-22-18/h2-7,9-10H,1,8,12H2", + "name": "Citalopram aldehyde", + "names": [ + "Citalopram aldehyde" + ] + }, + { + "compound_id": "C16613", + "inchi": "InChI=1S/C5H4N4O2S/c10-4-6-1-2(7-4)8-5(11)9-3(1)12/h(H4,6,7,8,9,10,11,12)", + "name": "6-Thiourate", + "names": [ + "6-Thiourate", + "6-Thiouric acid" + ] + }, + { + "compound_id": "C16614", + "inchi": "InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)", + "name": "6-Methylmercaptopurine", + "names": [ + "6-Methylmercaptopurine", + "Thiopurine S-methylether" + ] + }, + { + "compound_id": "C16615", + "inchi": "InChI=1S/C11H15N4O7PS/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20)/t5-,7-,8-,11-/m1/s1", + "name": "6-Methylthiopurine 5'-monophosphate ribonucleotide", + "names": [ + "6-Methylthioinosine-5'-monophosphate", + "6-Methylthiopurine 5'-monophosphate ribonucleotide" + ] + }, + { + "compound_id": "C16616", + "inchi": "InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1", + "name": "6-Mercaptopurine ribonucleoside 5'-diphosphate", + "names": [ + "6-Mercaptopurine ribonucleoside 5'-diphosphate", + "6-Thioinosine-5'-diphosphate" + ] + }, + { + "compound_id": "C16617", + "inchi": "InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1", + "name": "6-Mercaptopurine ribonucleoside triphosphate", + "names": [ + "6-Mercaptopurine ribonucleoside triphosphate", + "6-Thioinosine-5'-triphosphate" + ] + }, + { + "compound_id": "C16618", + "inchi": "InChI=1S/C10H13N4O8PS/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-2-11-4-7(14)12-10(17)13-8(4)24/h2-3,5-6,9,15-16H,1H2,(H2,18,19,20)(H2,12,13,17,24)/t3-,5-,6-,9-/m1/s1", + "name": "6-Thioxanthine 5'-monophosphate", + "names": [ + "6-Thioxanthine 5'-monophosphate" + ] + }, + { + "compound_id": "C16619", + "inchi": "InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1", + "name": "6-Thioguanosine monophosphate", + "names": [ + "6-Thioguanosine monophosphate" + ] + }, + { + "compound_id": "C16620", + "inchi": "InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1", + "name": "6-Methylthioguanosine monophosphate", + "names": [ + "6-Methylthioguanosine monophosphate" + ] + }, + { + "compound_id": "C16621", + "inchi": "InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3", + "name": "1-Methyl-4-nitroimidazole", + "names": [ + "1-Methyl-4-nitroimidazole" + ] + }, + { + "compound_id": "C16622", + "inchi": "InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)", + "name": "N,N'-Diacetylhydrazine", + "names": [ + "Diacetylhydrazine", + "N,N'-Diacetylhydrazine" + ] + }, + { + "compound_id": "C16623", + "inchi": "InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-1-3-9-4-2-6/h1-4H,5H2,(H,10,13)(H,11,12)", + "name": "Isonicotinylglycine", + "names": [ + "Isonicotinuric acid", + "Isonicotinylglycine" + ] + }, + { + "compound_id": "C16624", + "inchi": "InChI=1S/C9H9N3O3/c1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)/b11-6+", + "name": "Isoniazid pyruvate", + "names": [ + "Isoniazid pyruvate" + ] + }, + { + "compound_id": "C16625", + "inchi": "InChI=1S/C11H11N3O5/c15-9(16)2-1-8(11(18)19)13-14-10(17)7-3-5-12-6-4-7/h3-6H,1-2H2,(H,14,17)(H,15,16)(H,18,19)/b13-8+", + "name": "Isoniazid alpha-ketoglutaric acid", + "names": [ + "Isoniazid alpha-ketoglutaric acid" + ] + }, + { + "compound_id": "C16626", + "inchi": "InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)", + "name": "Albendazole sulfone", + "names": [ + "Albendazole sulfone" + ] + }, + { + "compound_id": "C16627", + "inchi": "InChI=1S/C10H13N3O2S/c1-2-5-16(14,15)7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)", + "name": "Albendazole-2-aminosulfone", + "names": [ + "Albendazole-2-aminosulfone" + ] + }, + { + "compound_id": "C16628", + "inchi": "InChI=1S/C12H15N3O5S/c1-7(16)6-21(18,19)8-3-4-9-10(5-8)14-11(13-9)15-12(17)20-2/h3-5,7,16H,6H2,1-2H3,(H2,13,14,15,17)", + "name": "Albendazole-beta-hydroxysulphone", + "names": [ + "Albendazole-beta-hydroxysulphone" + ] + }, + { + "compound_id": "C16629", + "inchi": "InChI=1S/C12H15N3O5S/c1-20-12(17)15-11-13-9-4-3-8(7-10(9)14-11)21(18,19)6-2-5-16/h3-4,7,16H,2,5-6H2,1H3,(H2,13,14,15,17)", + "name": "Albendazole-gamma-hydroxysulphone", + "names": [ + "Albendazole-gamma-hydroxysulphone" + ] + }, + { + "compound_id": "C16630", + "inchi": "InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)", + "name": "5,6-Dihydro-5-fluorouracil", + "names": [ + "5,6-Dihydro-5-fluorouracil", + "5-Fluorodihydrouracil" + ] + }, + { + "compound_id": "C16631", + "inchi": "InChI=1S/C4H7FN2O3/c5-2(3(8)9)1-7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)", + "name": "alpha-Fluoro-beta-ureidopropionic acid", + "names": [ + "2-Fluoro-3-ureidopropionic acid", + "alpha-Fluoro-beta-ureidopropionic acid" + ] + }, + { + "compound_id": "C16632", + "inchi": "InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)", + "name": "alpha-Fluoro-beta-alanine", + "names": [ + "3-Amino-2-fluoropropionic acid", + "alpha-Fluoro-beta-alanine" + ] + }, + { + "compound_id": "C16633", + "inchi": "InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1", + "name": "5-Fluorouridine", + "names": [ + "5-Fluorouridine" + ] + }, + { + "compound_id": "C16634", + "inchi": "InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1", + "name": "5-Fluorouridine monophosphate", + "names": [ + "5-Fluorouridine monophosphate" + ] + }, + { + "compound_id": "C16635", + "inchi": "InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1", + "name": "5'-Deoxy-5-fluorocytidine", + "names": [ + "5'-Deoxy-5-fluorocytidine" + ] + }, + { + "compound_id": "C16636", + "inchi": null, + "name": "tRNA(Sec)", + "names": [ + "tRNA(Sec)" + ] + }, + { + "compound_id": "C16637", + "inchi": "InChI=1S/C5H11O7P/c1-2-3(6)4(7)5(11-2)12-13(8,9)10/h2-7H,1H3,(H2,8,9,10)/t2-,3-,4-,5-/m1/s1", + "name": "5-Deoxyribose-1-phosphate", + "names": [ + "5-Deoxy-alpha-D-ribose-1-phosphate", + "5-Deoxyribose-1-phosphate" + ] + }, + { + "compound_id": "C16638", + "inchi": null, + "name": "O-Phosphoseryl-tRNA(Sec)", + "names": [ + "O-Phosphoseryl-tRNA(Sec)" + ] + }, + { + "compound_id": "C16639", + "inchi": "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1", + "name": "beta-D-Ribofuranose", + "names": [ + "beta-D-Ribofuranose" + ] + }, + { + "compound_id": "C16640", + "inchi": "InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h12,14H,3-11H2,1-2H3/t12-/m0/s1", + "name": "CAI-1", + "names": [ + "CAI-1", + "Cholerae autoinducer-1" + ] + }, + { + "compound_id": "C16641", + "inchi": "InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1", + "name": "Irinotecan", + "names": [ + "Irinotecan" + ] + }, + { + "compound_id": "C16643", + "inchi": "InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1", + "name": "Morphine-3-glucuronide", + "names": [ + "Morphine-3-glucuronide" + ] + }, + { + "compound_id": "C16644", + "inchi": "InChI=1S/C10H14O4/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5,8,11-12H,6H2,1-2H3", + "name": "1-(3,4-Dimethoxyphenyl)ethane-1,2-diol", + "names": [ + "1-(3,4-Dimethoxyphenyl)ethane-1,2-diol" + ] + }, + { + "compound_id": "C16645", + "inchi": "InChI=1S/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,30-32,36-38,42,53-54H,4-7,10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-/t32-,36-,37-,38?,42-/m1/s1", + "name": "(13Z,16Z)-Docosadi-13,16-enoyl-CoA", + "names": [ + "(13Z,16Z)-Docosadi-13,16-enoyl-CoA" + ] + }, + { + "compound_id": "C16647", + "inchi": "InChI=1S/C6H13NO2/c1-3-7(4-2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)", + "name": "N,N-Diethylglycine", + "names": [ + "N,N-Diethylglycine" + ] + }, + { + "compound_id": "C16648", + "inchi": "InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)", + "name": "2-n-Propyl-4-pentenoic acid", + "names": [ + "2-n-Propyl-4-pentenoic acid", + "4-En-valproic acid", + "4-Ene-VPA" + ] + }, + { + "compound_id": "C16649", + "inchi": "InChI=1S/C8H16O3/c1-3-4-7(8(10)11)5-6(2)9/h6-7,9H,3-5H2,1-2H3,(H,10,11)", + "name": "4-Hydroxyvalproic acid", + "names": [ + "2-n-Propyl-4-hydroxypentanoic acid", + "4-Hydroxyvalproic acid", + "4-OH-VPA" + ] + }, + { + "compound_id": "C16650", + "inchi": "InChI=1S/C8H16O3/c1-2-4-7(8(10)11)5-3-6-9/h7,9H,2-6H2,1H3,(H,10,11)", + "name": "5-Hydroxyvalproic acid", + "names": [ + "2-n-Propyl-5-hydroxypentanoic acid", + "5-Hydroxyvalproic acid", + "5-OH-VPA" + ] + }, + { + "compound_id": "C16651", + "inchi": "InChI=1S/C8H16O3/c1-3-5-6(8(10)11)7(9)4-2/h6-7,9H,3-5H2,1-2H3,(H,10,11)", + "name": "3-Hydroxyvalproic acid", + "names": [ + "2-n-Propyl-3-hydroxypentanoic acid", + "3-Hydroxyvalproic acid", + "3-OH-VPA" + ] + }, + { + "compound_id": "C16652", + "inchi": "InChI=1S/C8H14O3/c1-3-5-6(8(10)11)7(9)4-2/h6H,3-5H2,1-2H3,(H,10,11)", + "name": "3-Oxovalproic acid", + "names": [ + "2-n-Propyl-3-oxopentanoic acid", + "3-Keto-VPA", + "3-Oxovalproic acid" + ] + }, + { + "compound_id": "C16653", + "inchi": "InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+", + "name": "2-n-Propyl-2-pentenoic acid", + "names": [ + "2-En-valproic acid", + "2-Ene-VPA", + "2-n-Propyl-2-pentenoic acid" + ] + }, + { + "compound_id": "C16654", + "inchi": "InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,5,7H,4,6H2,1-2H3,(H,9,10)/b5-3-", + "name": "2-n-Propyl-3-pentenoic acid", + "names": [ + "2-n-Propyl-3-pentenoic acid", + "3-En-valproic acid", + "3-Ene-VPA" + ] + }, + { + "compound_id": "C16655", + "inchi": "InChI=1S/C8H14O3/c1-3-4-7(8(10)11)5-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)", + "name": "2-n-Propyl-4-oxopentanoic acid", + "names": [ + "2-n-Propyl-4-oxopentanoic acid", + "4-Keto-VPA", + "4-Oxovalproic acid" + ] + }, + { + "compound_id": "C16656", + "inchi": "InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3,5H,1,4,6H2,2H3,(H,9,10)/b7-5+", + "name": "2-Propyl-2,4-pentadienoic acid", + "names": [ + "2,4-Diene-VPA", + "2-Propyl-2,4-pentadienoic acid" + ] + }, + { + "compound_id": "C16657", + "inchi": "InChI=1S/C7H12O4/c1-2-3-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)", + "name": "2-Propylsuccinic acid", + "names": [ + "2-PSA", + "2-Propylsuccinic acid" + ] + }, + { + "compound_id": "C16658", + "inchi": "InChI=1S/C8H14O4/c1-2-3-6(8(11)12)4-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)", + "name": "2-Propylglutaric acid", + "names": [ + "2-PGA", + "2-Propylglutaric acid" + ] + }, + { + "compound_id": "C16659", + "inchi": "InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4+", + "name": "2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine", + "names": [ + "2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine", + "EDDP" + ] + }, + { + "compound_id": "C16660", + "inchi": "InChI=1S/C19H21N/c1-3-18-19(14-15(2)20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3", + "name": "2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline", + "names": [ + "2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline", + "EMDP" + ] + }, + { + "compound_id": "C16661", + "inchi": "InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3/t17-,21-/m0/s1", + "name": "L-alpha-Acetyl-N-normethadol", + "names": [ + "L-alpha-Acetyl-N-normethadol", + "nor-LAAM" + ] + }, + { + "compound_id": "C16662", + "inchi": "InChI=1S/C21H27NO2/c1-4-20(24-17(3)23)21(15-16(2)22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16,20H,4,15,22H2,1-3H3/t16-,20-/m0/s1", + "name": "L-alpha-Acetyl-N,N-dinormethadol", + "names": [ + "L-alpha-Acetyl-N,N-dinormethadol", + "dinor-LAAM" + ] + }, + { + "compound_id": "C16663", + "inchi": null, + "name": "Tryparedoxin", + "names": [ + "Tryparedoxin" + ] + }, + { + "compound_id": "C16664", + "inchi": null, + "name": "Tryparedoxin disulfide", + "names": [ + "Tryparedoxin disulfide" + ] + }, + { + "compound_id": "C16665", + "inchi": "InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)", + "name": "12-Methyltetradecanoic acid", + "names": [ + "12-Methyltetradecanoic acid" + ] + }, + { + "compound_id": "C16666", + "inchi": "InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3", + "name": "Vanillylamine", + "names": [ + "Vanillylamine" + ] + }, + { + "compound_id": "C16667", + "inchi": "InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1", + "name": "1,2-Dimyristyl-sn-glycerol", + "names": [ + "1,2-Dimyristyl-sn-glycerol", + "1,2-Ditetradecanoyl-sn-glycerol" + ] + }, + { + "compound_id": "C16669", + "inchi": null, + "name": "Polynucleotide 5'-diphosphate", + "names": [ + "Polynucleotide 5'-diphosphate" + ] + }, + { + "compound_id": "C16671", + "inchi": "InChI=1S/C6H7NO2/c8-6(9)5-2-1-3-7-4-5/h1-2,4-5H,3H2,(H,8,9)", + "name": "3,6-Dihydronicotinic acid", + "names": [ + "3,6-Dihydronicotinic acid" + ] + }, + { + "compound_id": "C16672", + "inchi": "InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13+/m0/s1", + "name": "Benzylpenicilloic acid", + "names": [ + "Benzylpenicilloic acid" + ] + }, + { + "compound_id": "C16673", + "inchi": "InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)", + "name": "Isoglutamine", + "names": [ + "4,5-Diamino-5-oxopentanoic acid", + "DL-Isoglutamine", + "Isoglutamine" + ] + }, + { + "compound_id": "C16674", + "inchi": "InChI=1S/C6H10N2O4/c7-6(12)4(8-3-9)1-2-5(10)11/h3-4H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)", + "name": "Formylisoglutamine", + "names": [ + "DL-Formylisoglutamine", + "Formylisoglutamine" + ] + }, + { + "compound_id": "C16675", + "inchi": "InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)", + "name": "7-Aminomethyl-7-deazaguanine", + "names": [ + "7-Aminomethyl-7-carbaguanine", + "7-Aminomethyl-7-deazaguanine" + ] + }, + { + "compound_id": "C16676", + "inchi": null, + "name": "N6-Alkylaminopurine-9-beta-D-glucoside", + "names": [ + "N6-Alkylaminopurine-9-beta-D-glucoside" + ] + }, + { + "compound_id": "C16677", + "inchi": "InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+", + "name": "all-trans-4-Hydroxyretinoic acid", + "names": [ + "all-trans-4-Hydroxyretinoic acid" + ] + }, + { + "compound_id": "C16678", + "inchi": "InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+", + "name": "all-trans-4-Oxoretinoic acid", + "names": [ + "all-trans-4-Oxoretinoic acid" + ] + }, + { + "compound_id": "C16679", + "inchi": "InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+", + "name": "all-trans-18-Hydroxyretinoic acid", + "names": [ + "all-trans-18-Hydroxyretinoic acid" + ] + }, + { + "compound_id": "C16680", + "inchi": "InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14+", + "name": "all-trans-5,6-Epoxyretinoic acid", + "names": [ + "all-trans-5,6-Epoxy-5,6-dihydroretinoic acid", + "all-trans-5,6-Epoxyretinoic acid" + ] + }, + { + "compound_id": "C16681", + "inchi": "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+", + "name": "9-cis-Retinal", + "names": [ + "9-cis-Retinal" + ] + }, + { + "compound_id": "C16682", + "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+", + "name": "9-cis-Retinol", + "names": [ + "9-cis-Retinol" + ] + }, + { + "compound_id": "C16683", + "inchi": "InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+", + "name": "4-Oxoretinol", + "names": [ + "4-Oxoretinol" + ] + }, + { + "compound_id": "C16684", + "inchi": null, + "name": "N-Acetoxyarylamine", + "names": [ + "N-Acetoxyarylamine" + ] + }, + { + "compound_id": "C16685", + "inchi": null, + "name": "N-Hydroxyarylamine", + "names": [ + "N-Hydroxyarylamine" + ] + }, + { + "compound_id": "C16687", + "inchi": "InChI=1S/C48H84O47P2/c49-1-9-17(54)26(63)33(70)42(83-9)92-40-31(68)23(60)14(89-48(40)95-97(77,78)80-7-15-21(58)25(62)32(69)41(74)82-15)6-79-46-38(29(66)19(56)11(3-51)86-46)93-47-39(30(67)20(57)12(4-52)87-47)91-44-36(73)37(24(61)13(5-53)84-44)90-43-34(71)28(65)22(59)16(88-43)8-81-96(75,76)94-45-35(72)27(64)18(55)10(2-50)85-45/h9-74H,1-8H2,(H,75,76)(H,77,78)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37?,38?,39?,40?,41+,42?,43?,44?,45-,46+,47?,48-/m1/s1", + "name": "Phosphomannan mannosephosphate", + "names": [ + "Phosphomannan mannosephosphate" + ] + }, + { + "compound_id": "C16688", + "inchi": "InChI=1S/C12H23O14P/c13-1-4-7(16)10(19)12(3-14,25-4)26-11-9(18)8(17)6(15)5(24-11)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1", + "name": "Sucrose 6-phosphate", + "names": [ + "6-O-Phosphonosucrose", + "6-Phosphosucrose", + "Sucrose 6-phosphate", + "beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside" + ] + }, + { + "compound_id": "C16689", + "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-", + "name": "poly-cis-Polyprenyl diphosphate longer by one C5 unit", + "names": [ + "poly-cis-Polyprenyl diphosphate longer by one C5 unit" + ] + }, + { + "compound_id": "C16690", + "inchi": null, + "name": "5-L-Glutamyl-D-glutamyl-peptide", + "names": [ + "5-L-Glutamyl-D-glutamyl-peptide", + "gamma-L-Glutamyl-D-glutamyl-peptide" + ] + }, + { + "compound_id": "C16691", + "inchi": null, + "name": "DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine", + "names": [ + "DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine" + ] + }, + { + "compound_id": "C16692", + "inchi": "InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1", + "name": "Mannopine", + "names": [ + "Mannopine" + ] + }, + { + "compound_id": "C16693", + "inchi": "", + "name": "Plastoquinol", + "names": [ + "Plastoquinol" + ] + }, + { + "compound_id": "C16694", + "inchi": "InChI=1S/C13H16O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7H,6H2,1-4H3", + "name": "Plastoquinone-1", + "names": [ + "Plastoquinone-1" + ] + }, + { + "compound_id": "C16695", + "inchi": "InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+", + "name": "Plastoquinol-9", + "names": [ + "Plastoquinol A", + "Plastoquinol-9" + ] + }, + { + "compound_id": "C16696", + "inchi": "InChI=1S/C10H17N3O/c1-8(2)5-10(14)12-4-3-9-6-11-7-13-9/h6-8H,3-5H2,1-2H3,(H,11,13)(H,12,14)", + "name": "Dolichotheline", + "names": [ + "Dolichotheline" + ] + }, + { + "compound_id": "C16697", + "inchi": "InChI=1S/C8H13NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7H,1-6H2/t7-/m0/s1", + "name": "1-Indolizidinone", + "names": [ + "1-Indolizidinone", + "1-Ketooctahydroindolizine" + ] + }, + { + "compound_id": "C16698", + "inchi": "InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4?,6-,7-,8-,9-,11?/m1/s1", + "name": "N-Acetylmuramic acid 6-phosphate", + "names": [ + "MurNAc 6-phosphate", + "N-Acetylmuramate 6-phosphate", + "N-Acetylmuramic acid 6-phosphate" + ] + }, + { + "compound_id": "C16699", + "inchi": "InChI=1S/C9H17O12P/c10-1-3(8(14)15)20-9-7(13)6(12)5(11)4(21-9)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3?,4-,5-,6+,7+,9?/m1/s1", + "name": "2-O-(6-Phospho-alpha-mannosyl)-D-glycerate", + "names": [ + "2-O-(6-Phospho-alpha-D-mannosyl)-D-glycerate", + "2-O-(6-Phospho-alpha-mannosyl)-D-glycerate" + ] + }, + { + "compound_id": "C16700", + "inchi": "InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H", + "name": "3,4-Dihydroxybenzaldehyde", + "names": [ + "3,4-Dihydroxybenzaldehyde", + "Protocatechualdehyde" + ] + }, + { + "compound_id": "C16701", + "inchi": "InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2", + "name": "Norbelladine", + "names": [ + "Norbelladine" + ] + }, + { + "compound_id": "C16702", + "inchi": "InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3", + "name": "4'-O-Methylnorbelladine", + "names": [ + "4'-O-Methylnorbelladine" + ] + }, + { + "compound_id": "C16703", + "inchi": "InChI=1S/C16H17NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,13,17H,6-9H2,1H3/t13-,16-/m0/s1", + "name": "N-Demethylnarwedine", + "names": [ + "N-Demethylnarwedine" + ] + }, + { + "compound_id": "C16704", + "inchi": "InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3", + "name": "Anhalonidine", + "names": [ + "Anhalonidine" + ] + }, + { + "compound_id": "C16705", + "inchi": "InChI=1S/C13H19NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7-8,14H,5-6H2,1-4H3", + "name": "Anhalonine", + "names": [ + "Anhalonine", + "O-Methylanhalonidine" + ] + }, + { + "compound_id": "C16706", + "inchi": "InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-7,11H,1-2H2", + "name": "4-Hydroxydihydrocinnamaldehyde", + "names": [ + "3-(p-Hydroxyphenyl)propanal", + "4-Hydroxydihydrocinnamaldehyde" + ] + }, + { + "compound_id": "C16707", + "inchi": "InChI=1S/C21H27NO5/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m0/s1", + "name": "(S)-Autumnaline", + "names": [ + "(S)-Autumnaline", + "Autumnaline" + ] + }, + { + "compound_id": "C16708", + "inchi": "InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(25-2)15(23)10-13(21)14(22)6-5-12-9-16(24)19(26-3)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1", + "name": "Isoandrocymbine", + "names": [ + "Isoandrocymbine" + ] + }, + { + "compound_id": "C16709", + "inchi": "InChI=1S/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22+/m0/s1", + "name": "O-Methylandrocymbine", + "names": [ + "O-Methylandrocymbine" + ] + }, + { + "compound_id": "C16710", + "inchi": "InChI=1S/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1", + "name": "N-Formyldemecolcine", + "names": [ + "N-Formyldemecolcine" + ] + }, + { + "compound_id": "C16711", + "inchi": null, + "name": "Vitamin K epoxide", + "names": [ + "Vitamin K epoxide" + ] + }, + { + "compound_id": "C16712", + "inchi": "InChI=1S/C20H23NO5/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1", + "name": "Deacetylcolchicine", + "names": [ + "Deacetylcolchicine", + "Trimethylcolchicinic acid methyl ether" + ] + }, + { + "compound_id": "C16713", + "inchi": "InChI=1S/C21H25NO5/c1-22-8-7-12-10-15(25-2)19(24)18-16(12)13(22)6-5-11-9-14(23)20(26-3)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3", + "name": "Floramultine", + "names": [ + "Floramultine" + ] + }, + { + "compound_id": "C16714", + "inchi": "InChI=1S/C22H27NO5/c1-23-9-8-13-10-15(25-2)20(24)19-17(13)14(23)7-6-12-11-16(26-3)21(27-4)22(28-5)18(12)19/h10-11,14,24H,6-9H2,1-5H3", + "name": "Kreysigine", + "names": [ + "Kreysigine" + ] + }, + { + "compound_id": "C16715", + "inchi": "InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)", + "name": "2-Oxo-1,2-dihydroquinoline-4-carboxylate", + "names": [ + "2-Oxo-1,2-dihydroquinoline-4-carboxylate" + ] + }, + { + "compound_id": "C16716", + "inchi": "InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)", + "name": "4-Hydroxy-2-quinolone", + "names": [ + "4-Hydroxy-2-quinolone" + ] + }, + { + "compound_id": "C16717", + "inchi": "InChI=1S/C26H32O9/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(34-22)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)33-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,27H,5,7,9-10,12H2,1-4H3,(H,29,30)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", + "name": "Limonoate D-ring-lactone", + "names": [ + "Limonoate D-ring-lactone" + ] + }, + { + "compound_id": "C16718", + "inchi": "InChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15)12-33-18(28)10-17(25)34-22)5-7-23(3,19(29)13-6-8-32-11-13)26(24)20(35-26)21(30)31/h6,8,11,14-15,17,19-20,29H,5,7,9-10,12H2,1-4H3,(H,30,31)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1", + "name": "Limonoate A-ring-lactone", + "names": [ + "Limonoate A-ring-lactone" + ] + }, + { + "compound_id": "C16719", + "inchi": "InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1", + "name": "(-)-Norephedrine", + "names": [ + "(-)-Norephedrine", + "l-Phenylpropanolamine" + ] + }, + { + "compound_id": "C16720", + "inchi": null, + "name": "Peptide 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine", + "names": [ + "2-[3-Carboxy-3-(dimethylammonio)propyl]-L-histidine", + "EF-2 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine", + "Elongation factor 2 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine", + "Peptide 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine" + ] + }, + { + "compound_id": "C16721", + "inchi": "InChI=1S/C15H17NO3/c1-15(2,17)12-8-10-13(18-3)9-6-4-5-7-11(9)16-14(10)19-12/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1", + "name": "Platydesmine", + "names": [ + "Platydesmine" + ] + }, + { + "compound_id": "C16722", + "inchi": null, + "name": "Acceptor", + "names": [ + "Acceptor" + ] + }, + { + "compound_id": "C16723", + "inchi": "InChI=1S/C26H28N2O9/c1-2-11-13-7-17-19-14(20(30)12-5-3-4-6-16(12)27-19)8-28(17)24(34)15(13)10-35-25(11)37-26-23(33)22(32)21(31)18(9-29)36-26/h2-6,10-11,13,17-18,21-23,25-26,29,31-33H,1,7-9H2,(H,27,30)/t11-,13+,17+,18-,21-,22+,23-,25+,26+/m1/s1", + "name": "Pumiloside", + "names": [ + "Pumiloside" + ] + }, + { + "compound_id": "C16724", + "inchi": "InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1", + "name": "Strictosamide", + "names": [ + "Strictosamide" + ] + }, + { + "compound_id": "C16725", + "inchi": "InChI=1S/C26H28N2O8/c1-2-14-15-8-18-20-13(7-12-5-3-4-6-17(12)27-20)9-28(18)24(33)16(15)11-34-25(14)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-7,11,14-15,18-19,21-23,25-26,29-32H,1,8-10H2/t14-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1", + "name": "Deoxypumiloside", + "names": [ + "Deoxypumiloside" + ] + }, + { + "compound_id": "C16726", + "inchi": "InChI=1S/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14?,18+/m0/s1", + "name": "Cinchoninone", + "names": [ + "Cinchonan-9-one", + "Cinchoninone" + ] + }, + { + "compound_id": "C16727", + "inchi": "InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2/t13?,14?,18-/m0/s1", + "name": "Cinchonamine", + "names": [ + "Cinchonamine" + ] + }, + { + "compound_id": "C16728", + "inchi": "InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14?,19?/m0/s1", + "name": "Quinidinone", + "names": [ + "Quinidinone" + ] + }, + { + "compound_id": "C16729", + "inchi": null, + "name": "Thyroglobulin L-thyroxine", + "names": [ + "Thyroglobulin 3,5,3'5'-tetraiodo-L-thyronine", + "Thyroglobulin L-thyroxine" + ] + }, + { + "compound_id": "C16730", + "inchi": null, + "name": "Thyroglobulin triiodothyronine", + "names": [ + "Thyroglobulin L-3,5,3'-triiodothyronine", + "Thyroglobulin triiodothyronine" + ] + }, + { + "compound_id": "C16731", + "inchi": null, + "name": "Thyroglobulin 3,5-diiodotyrosine", + "names": [ + "Thyroglobulin 3,5-diiodotyrosine" + ] + }, + { + "compound_id": "C16732", + "inchi": null, + "name": "Thyroglobulin 3-Iodotyrosine", + "names": [ + "Thyroglobulin 3-Iodotyrosine" + ] + }, + { + "compound_id": "C16733", + "inchi": null, + "name": "Thyroglobulin L-tyrosine", + "names": [ + "Thyroglobulin L-tyrosine" + ] + }, + { + "compound_id": "C16734", + "inchi": null, + "name": "Thyroglobulin dehydroalanine", + "names": [ + "Thyroglobulin aminoacrylate", + "Thyroglobulin dehydroalanine" + ] + }, + { + "compound_id": "C16735", + "inchi": "InChI=1S/C19H22N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-6,10,13-14,18,20H,1,7-9,11-12H2/t13-,14-,18-/m0/s1", + "name": "Corynantheal", + "names": [ + "Corynantheal" + ] + }, + { + "compound_id": "C16736", + "inchi": null, + "name": "Thiol-containing reductant", + "names": [ + "R'-SH", + "Thiol-containing reductant" + ] + }, + { + "compound_id": "C16737", + "inchi": "InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h2-4,6,8-9,12H,1H2,(H,10,11)/t3-,4+,6+/m1/s1", + "name": "5-Deoxy glucuronic acid", + "names": [ + "5-Deoxy glucuronic acid" + ] + }, + { + "compound_id": "C16738", + "inchi": null, + "name": "Sulfuric monoester", + "names": [ + "Ester sulfate", + "Sulfuric monoester" + ] + }, + { + "compound_id": "C16739", + "inchi": null, + "name": "L-Arginyl-protein", + "names": [ + "L-Arginyl-protein" + ] + }, + { + "compound_id": "C16740", + "inchi": null, + "name": "Procollagen L-lysine", + "names": [ + "Procollagen L-lysine" + ] + }, + { + "compound_id": "C16741", + "inchi": "InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1", + "name": "L-Hydroxylysine", + "names": [ + "(5R)-5-Hydroxy-L-lysine", + "5-Hydroxy-L-lysine", + "L-Hydroxylysine", + "L-erythro-5-Hydroxylysine" + ] + }, + { + "compound_id": "C16742", + "inchi": "InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1", + "name": "allo-Hydroxy-L-lysine", + "names": [ + "Allohydroxy-L-lysine", + "allo-Hydroxy-L-lysine" + ] + }, + { + "compound_id": "C16743", + "inchi": "InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5-/m0/s1", + "name": "Phosphoallohydroxy-L-lysine", + "names": [ + "Phosphoallohydroxy-L-lysine" + ] + }, + { + "compound_id": "C16744", + "inchi": "InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7?,9-/m1/s1", + "name": "Spongothymidine", + "names": [ + "Spongothymidine" + ] + }, + { + "compound_id": "C16745", + "inchi": "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7?,8-/m1/s1", + "name": "Spongouridine", + "names": [ + "Spongouridine" + ] + }, + { + "compound_id": "C16746", + "inchi": "InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26?,27-,28-,29+,30-,31-/m0/s1", + "name": "Discodermolide", + "names": [ + "Discodermolide" + ] + }, + { + "compound_id": "C16747", + "inchi": "InChI=1S/C17H37N7O4/c18-7-5-9-21-8-3-4-10-22-15(27)16(28)24-14(26)12-13(25)6-1-2-11-23-17(19)20/h13,16,21,25,28H,1-12,18H2,(H,22,27)(H,24,26)(H4,19,20,23)/t13-,16-/m0/s1", + "name": "Spergualin", + "names": [ + "Spergualin" + ] + }, + { + "compound_id": "C16748", + "inchi": "InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2", + "name": "Patulin", + "names": [ + "Patulin" + ] + }, + { + "compound_id": "C16749", + "inchi": "InChI=1S/C44H66O16/c1-21-39(50)32(57-24(4)46)17-37(54-21)60-41-23(3)56-36(16-31(41)48)59-40-22(2)55-35(15-30(40)47)58-27-9-11-42(5)26(14-27)7-8-29-28(42)10-12-43(6)38(25-13-34(49)52-19-25)33(53-20-45)18-44(29,43)51/h13,20-23,26-33,35-41,47-48,50-51H,7-12,14-19H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,35+,36+,37+,38+,39-,40-,41-,42+,43-,44+/m1/s1", + "name": "Acetylgitaloxin", + "names": [ + "Acetylgitaloxin", + "alpha-Acetylgitaloxin" + ] + }, + { + "compound_id": "C16750", + "inchi": "InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14-,15-,17+/m1/s1", + "name": "Acetylintermedine", + "names": [ + "Acetylintermedine" + ] + }, + { + "compound_id": "C16751", + "inchi": "InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11?,14-,15-,17+/m1/s1", + "name": "Acetyllycopsamine", + "names": [ + "Acetyllycopsamine" + ] + }, + { + "compound_id": "C16752", + "inchi": "InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1", + "name": "Acevaltrate", + "names": [ + "Acevaltrate" + ] + }, + { + "compound_id": "C16753", + "inchi": "InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1", + "name": "Aflatoxin B2", + "names": [ + "Aflatoxin B2" + ] + }, + { + "compound_id": "C16754", + "inchi": "InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1", + "name": "Aflatoxin G2", + "names": [ + "Aflatoxin G2" + ] + }, + { + "compound_id": "C16755", + "inchi": "InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1", + "name": "Aflatoxin G1", + "names": [ + "Aflatoxin G1" + ] + }, + { + "compound_id": "C16756", + "inchi": "InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1", + "name": "Aflatoxin M1", + "names": [ + "Aflatoxin M1" + ] + }, + { + "compound_id": "C16757", + "inchi": "InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-", + "name": "(Z)-Ajoene", + "names": [ + "(Z)-Ajoene" + ] + }, + { + "compound_id": "C16758", + "inchi": "InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+", + "name": "(E)-Ajoene", + "names": [ + "(E)-Ajoene" + ] + }, + { + "compound_id": "C16759", + "inchi": "InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1", + "name": "S-Allyl-L-cysteine", + "names": [ + "S-Allyl-L-cysteine" + ] + }, + { + "compound_id": "C16760", + "inchi": "InChI=1S/C15H12O4/c16-7-8-4-10-6-9-2-1-3-11(17)13(9)15(19)14(10)12(18)5-8/h1-5,16-18H,6-7H2", + "name": "Aloe emodin anthrone", + "names": [ + "Aloe emodin anthrone" + ] + }, + { + "compound_id": "C16761", + "inchi": "InChI=1S/C30H34BrN5O15/c1-29(48)22-8(5-32-23-13(34-22)24(44)36-28(47)35-23)12(30(29)9-3-2-7(31)4-10(9)33-27(30)46)25(45)50-20-17(41)15(39)16(40)18(42)21(20)51-26-19(43)14(38)11(37)6-49-26/h2-4,8,11-12,14-21,26,37-43,48H,5-6H2,1H3,(H,33,46)(H3,32,35,36,44,47)/t8-,11+,12+,14-,15-,16+,17-,18-,19+,20+,21?,26?,29+,30+/m0/s1", + "name": "Neosurugatoxin", + "names": [ + "Neosurugatoxin" + ] + }, + { + "compound_id": "C16762", + "inchi": "InChI=1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1", + "name": "Ciguatoxin I", + "names": [ + "Ciguatoxin I" + ] + }, + { + "compound_id": "C16763", + "inchi": "InChI=1S/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-34,37-40H,1-2H3", + "name": "Luteoskyrin", + "names": [ + "Luteoskyrin" + ] + }, + { + "compound_id": "C16764", + "inchi": "InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-32,35-38H,1-2H3", + "name": "Rugulosin", + "names": [ + "Rugulosin" + ] + }, + { + "compound_id": "C16765", + "inchi": "InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1", + "name": "Citrinin", + "names": [ + "Citrinin" + ] + }, + { + "compound_id": "C16766", + "inchi": "InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m1/s1", + "name": "Citreoviridin", + "names": [ + "Citreoviridin" + ] + }, + { + "compound_id": "C16767", + "inchi": "InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1", + "name": "Rubratoxin B", + "names": [ + "Rubratoxin B" + ] + }, + { + "compound_id": "C16768", + "inchi": "InChI=1S/C17H18ClN3O6S2/c1-15-13(23)21-12-16(25,11(22)17(21,29-28-15)14(24)20(15)2)6-5-7(18)9(26-3)10(27-4)8(6)19-12/h5,11-12,19,22,25H,1-4H3/t11-,12-,15-,16-,17-/m1/s1", + "name": "Sporidesmin J", + "names": [ + "Sporidesmin J" + ] + }, + { + "compound_id": "C16769", + "inchi": "InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1", + "name": "Aplysiatoxin", + "names": [ + "Aplysiatoxin" + ] + }, + { + "compound_id": "C16770", + "inchi": "InChI=1S/C32H46Br2O10/c1-16(8-9-24(40-7)20-10-23(36)22(34)11-21(20)33)29-18(3)26-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-28(38)41-25(19(4)35)12-27(37)42-26/h10-11,16-19,24-26,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19+,24-,25+,26?,29+,31-,32-/m0/s1", + "name": "19-Bromoaplysiatoxin", + "names": [ + "19-Bromoaplysiatoxin" + ] + }, + { + "compound_id": "C16771", + "inchi": "InChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19+,20-,23+,24-,25?,28?,30-,31-/m0/s1", + "name": "Oscillatoxin A", + "names": [ + "Oscillatoxin A" + ] + }, + { + "compound_id": "C16772", + "inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3", + "name": "DL-alpha-Terpineol", + "names": [ + "DL-alpha-Terpineol" + ] + }, + { + "compound_id": "C16773", + "inchi": "InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1", + "name": "Bisabolol oxide A", + "names": [ + "Bisabolol oxide A" + ] + }, + { + "compound_id": "C16774", + "inchi": "InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3", + "name": "Bisabolol oxide B", + "names": [ + "Bisabolol oxide B" + ] + }, + { + "compound_id": "C16775", + "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1", + "name": "beta-Bisabolene", + "names": [ + "beta-Bisabolene" + ] + }, + { + "compound_id": "C16776", + "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15-/m0/s1", + "name": "beta-Sesquiphellandrene", + "names": [ + "(-)-beta-Sesquiphellandrene", + "beta-Sesquiphellandrene" + ] + }, + { + "compound_id": "C16777", + "inchi": "InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3", + "name": "Sabinene", + "names": [ + "Sabinen", + "Sabinene" + ] + }, + { + "compound_id": "C16778", + "inchi": "InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-", + "name": "Cantharidin", + "names": [ + "Cantharidin" + ] + }, + { + "compound_id": "C16779", + "inchi": "InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+", + "name": "Dendrolasin", + "names": [ + "Dendrolasin" + ] + }, + { + "compound_id": "C16780", + "inchi": "InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1", + "name": "Jasmolin I", + "names": [ + "Jasmolin I" + ] + }, + { + "compound_id": "C16781", + "inchi": "InChI=1S/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1", + "name": "Jasmolin II", + "names": [ + "Jasmolin II" + ] + }, + { + "compound_id": "C16782", + "inchi": "InChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17/h16-18H,3-15H2,1-2H3/t16-,17-/m1/s1", + "name": "(-)-Solenopsin A", + "names": [ + "(-)-Solenopsin A" + ] + }, + { + "compound_id": "C16783", + "inchi": "InChI=1S/C30H50O5/c1-26(2)21-9-8-20-19(28(21,5)13-12-22(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-23(32)35-24(17)25(33)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19+,21+,22+,23-,24-,25+,28-,29+,30-/m1/s1", + "name": "Meliantriol", + "names": [ + "Meliantriol" + ] + }, + { + "compound_id": "C16784", + "inchi": "InChI=1S/C41H68O13/c1-3-4-6-13-30(43)21-38(51)25-34(47)17-10-19-36(49)27-41(54)28-37(50)20-11-18-35(48)26-40(53)23-32(45)15-8-5-7-14-31(44)22-39(52)24-33(46)16-9-12-29(2)42/h30,38-41,43,51-54H,3-28H2,1-2H3", + "name": "HMT-toxin", + "names": [ + "HMT-toxin" + ] + }, + { + "compound_id": "C16785", + "inchi": "InChI=1S/C33H62O8/c1-3-4-8-15-28(36)23-29(37)18-11-6-12-19-32(40)25-33(41)21-14-7-13-20-31(39)24-30(38)17-10-5-9-16-27(35)22-26(2)34/h26-28,31-32,34-36,39-40H,3-25H2,1-2H3/t26-,27+,28+,31+,32+/m0/s1", + "name": "PM-toxin B", + "names": [ + "PM-toxin B" + ] + }, + { + "compound_id": "C16786", + "inchi": "InChI=1S/C23H31N3O6/c1-13(2)19-22(29)26-18(8-6-7-16-9-11-17(31-5)12-10-16)21(28)24-14(3)20(27)25-15(4)23(30)32-19/h9-13,15,18-19H,3,6-8H2,1-2,4-5H3,(H,24,28)(H,25,27)(H,26,29)/t15-,18-,19-/m0/s1", + "name": "AM-toxin I", + "names": [ + "AM-toxin I" + ] + }, + { + "compound_id": "C16787", + "inchi": "InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+", + "name": "AK-toxin I", + "names": [ + "AK-toxin I" + ] + }, + { + "compound_id": "C16788", + "inchi": "InChI=1S/C14H16O4/c1-2-4-13(17)14(18)8-7-10-5-3-6-12(16)11(10)9-15/h2-9,13-14,16-18H,1H3/b4-2+,8-7+/t13-,14+/m0/s1", + "name": "Pyriculol", + "names": [ + "Pyriculol" + ] + }, + { + "compound_id": "C16789", + "inchi": "InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3", + "name": "Toxoflavine", + "names": [ + "Toxoflavine" + ] + }, + { + "compound_id": "C16790", + "inchi": "InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1", + "name": "Coronatine", + "names": [ + "Coronatine" + ] + }, + { + "compound_id": "C16791", + "inchi": "InChI=1S/C60H86O19/c1-26-13-33-7-9-37-27(2)14-35(65-37)11-12-58-23-46-54(78-58)55-56(72-46)57(79-58)53-38(69-55)10-8-34(67-53)16-48(64)73-52-31(6)51-43(68-42(52)17-39(66-33)30(26)5)19-41-45(71-51)22-60(74-41)24-47-50(77-60)29(4)21-59(76-47)20-28(3)49-44(75-59)18-40(70-49)36(63)15-32(62)25-61/h26,28-29,31-47,49-57,61-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32-,33+,34-,35+,36+,37+,38+,39-,40+,41-,42+,43+,44?,45-,46+,47?,49+,50+,51+,52-,53+,54+,55+,56-,57+,58+,59-,60+/m1/s1", + "name": "Halichondrin B", + "names": [ + "Halichondrin B" + ] + }, + { + "compound_id": "C16792", + "inchi": "InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,2-3,5-7,10,13-14H2,1H3/t15-,16-,17-/m1/s1", + "name": "Panaxytriol", + "names": [ + "Panaxytriol" + ] + }, + { + "compound_id": "C16793", + "inchi": "InChI=1S/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)30(32(34)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,33H,3-29H2,1-2H3,(H,34,35)/t30-,31-/m1/s1", + "name": "Corynomycolic acid", + "names": [ + "Corynomycolic acid" + ] + }, + { + "compound_id": "C16794", + "inchi": "InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)", + "name": "Tuberculostearic acid", + "names": [ + "Tuberculostearic acid" + ] + }, + { + "compound_id": "C16795", + "inchi": "InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)/t15-/m0/s1", + "name": "Hydnocarpic acid", + "names": [ + "Hydnocarpic acid" + ] + }, + { + "compound_id": "C16796", + "inchi": "InChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3", + "name": "Islandicin", + "names": [ + "Islandicin" + ] + }, + { + "compound_id": "C16797", + "inchi": "InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1", + "name": "Sennoside C", + "names": [ + "Sennidin C", + "Sennoside C" + ] + }, + { + "compound_id": "C16798", + "inchi": "InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26+,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1", + "name": "Sennoside D", + "names": [ + "Sennidin D", + "Sennoside D" + ] + }, + { + "compound_id": "C16799", + "inchi": "InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", + "name": "Cascaroside B", + "names": [ + "Cascaroside B" + ] + }, + { + "compound_id": "C16800", + "inchi": "InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", + "name": "Cascaroside D", + "names": [ + "Cascaroside D" + ] + }, + { + "compound_id": "C16801", + "inchi": "InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1", + "name": "Cascaroside C", + "names": [ + "Cascaroside C" + ] + }, + { + "compound_id": "C16802", + "inchi": "InChI=1S/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3/t9-,15+,18-,20+,22+,23-,24+,25+,26-,27+/m0/s1", + "name": "Glucofrangulin A", + "names": [ + "Glucofrangulin A" + ] + }, + { + "compound_id": "C16803", + "inchi": "InChI=1S/C26H28O14/c1-10-2-12-17(14(29)3-10)21(32)18-13(19(12)30)4-11(40-26(36)9-37-8-25(26,35)7-28)5-15(18)38-24-23(34)22(33)20(31)16(6-27)39-24/h2-5,16,20,22-24,27-29,31,33-36H,6-9H2,1H3/t16-,20-,22+,23-,24-,25-,26-/m1/s1", + "name": "Glucofrangulin B", + "names": [ + "Glucofrangulin B" + ] + }, + { + "compound_id": "C16804", + "inchi": "InChI=1S/C8H10O4/c1-5(2)8(10)6(11-3)4-7(9)12-8/h4,10H,1H2,2-3H3", + "name": "Penicillic acid", + "names": [ + "Penicillic acid" + ] + }, + { + "compound_id": "C16805", + "inchi": "InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3", + "name": "Coumachlor", + "names": [ + "Coumachlor" + ] + }, + { + "compound_id": "C16806", + "inchi": "InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2", + "name": "Coumatetralyl", + "names": [ + "Coumatetralyl" + ] + }, + { + "compound_id": "C16807", + "inchi": "InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2", + "name": "Difenacoum", + "names": [ + "Difenacoum" + ] + }, + { + "compound_id": "C16808", + "inchi": "InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1", + "name": "Isosilybin", + "names": [ + "Isosilybin" + ] + }, + { + "compound_id": "C16809", + "inchi": "InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1", + "name": "Isovaltrate", + "names": [ + "Isovaltrate" + ] + }, + { + "compound_id": "C16810", + "inchi": "InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m1/s1", + "name": "Bioresmethrin", + "names": [ + "Bioresmethrin" + ] + }, + { + "compound_id": "C16811", + "inchi": "InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3", + "name": "Baldrinal", + "names": [ + "Baldrinal" + ] + }, + { + "compound_id": "C16812", + "inchi": "InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3", + "name": "Homobaldrinal", + "names": [ + "Homobaldrinal" + ] + }, + { + "compound_id": "C16813", + "inchi": "InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1", + "name": "Valeranone", + "names": [ + "Valeranone" + ] + }, + { + "compound_id": "C16814", + "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+", + "name": "gamma-Bisabolene", + "names": [ + "(Z)-gamma-Bisabolene", + "gamma-Bisabolene" + ] + }, + { + "compound_id": "C16815", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1", + "name": "alpha-Cadinene", + "names": [ + "alpha-Cadinene" + ] + }, + { + "compound_id": "C16816", + "inchi": "InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12+,16-,18+,19?,20+/m0/s1", + "name": "Ginkgolide M", + "names": [ + "Ginkgolide M" + ] + }, + { + "compound_id": "C16817", + "inchi": "InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1", + "name": "Goitrin", + "names": [ + "Goitrin" + ] + }, + { + "compound_id": "C16818", + "inchi": "InChI=1S/C25H42O/c1-17(2)8-7-9-18(3)20-12-14-24(5)16-23-21(13-15-25(23,6)26)19(4)10-11-22(20)24/h8,10,18,20-23,26H,7,9,11-16H2,1-6H3/b19-10-/t18-,20+,21+,22-,23-,24+,25+/m0/s1", + "name": "Ophiobolin F", + "names": [ + "Ophiobolene", + "Ophiobolin F" + ] + }, + { + "compound_id": "C16819", + "inchi": "InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", + "name": "Neotigogenin", + "names": [ + "Neotigogenin" + ] + }, + { + "compound_id": "C16820", + "inchi": "InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31?,32?,33-,34+,35+,36+/m1/s1", + "name": "k-Strophanthin-beta", + "names": [ + "k-Strophanthin-beta" + ] + }, + { + "compound_id": "C16821", + "inchi": "InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3", + "name": "Guvacoline", + "names": [ + "Guvacoline" + ] + }, + { + "compound_id": "C16822", + "inchi": "InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1", + "name": "9-Aminocamptothecin", + "names": [ + "9-Aminocamptothecin" + ] + }, + { + "compound_id": "C16823", + "inchi": "InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2", + "name": "Distigmine", + "names": [ + "Distigmine" + ] + }, + { + "compound_id": "C16825", + "inchi": "InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12?/m1/s1", + "name": "Neomenthyl acetate", + "names": [ + "Neomenthyl acetate" + ] + }, + { + "compound_id": "C16826", + "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11-", + "name": "2-cis,6-trans-Farnesyl diphosphate", + "names": [ + "(2Z,6E)-Farnesyl diphosphate", + "2-cis,6-trans-Farnesyl diphosphate" + ] + }, + { + "compound_id": "C16827", + "inchi": "InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1", + "name": "p-Coumaroyl-D-glucose", + "names": [ + "1-O-(4-Coumaroyl)-beta-D-glucose", + "p-Coumaroyl-D-glucose" + ] + }, + { + "compound_id": "C16828", + "inchi": "InChI=1S/C9H6O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+", + "name": "Caffeoquinone", + "names": [ + "Caffeic acid quinone", + "Caffeoquinone" + ] + }, + { + "compound_id": "C16829", + "inchi": "InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3/b12-10+,13-7+", + "name": "gamma-Humulene", + "names": [ + "gamma-Humulene" + ] + }, + { + "compound_id": "C16830", + "inchi": null, + "name": "D-Aldonolactone", + "names": [ + "D-Aldonolactone" + ] + }, + { + "compound_id": "C16831", + "inchi": "InChI=1S/C12H14N2O2/c1-7-9(6-10(13)12(15)16)8-4-2-3-5-11(8)14-7/h2-5,10,14H,6,13H2,1H3,(H,15,16)/t10-/m0/s1", + "name": "L-2-Methyltryptophan", + "names": [ + "2-Methyl-L-tryptophan", + "L-2-Methyltryptophan" + ] + }, + { + "compound_id": "C16832", + "inchi": null, + "name": "Protein N6-(dihydrolipoyl)lysine", + "names": [ + "Protein N6-(dihydrolipoyl)lysine" + ] + }, + { + "compound_id": "C16833", + "inchi": "InChI=1S/C30H45N8O17P3S/c1-30(2,25(42)28(43)34-9-8-20(39)33-10-11-59-21(40)12-18(31)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)38-16-37-22-26(32)35-15-36-27(22)38/h3-7,15-16,18-19,23-25,29,41-42H,8-14,31H2,1-2H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t18-,19-,23-,24-,25?,29-/m1/s1", + "name": "beta-Phenylalanoyl-CoA", + "names": [ + "(R)-3-Amino-3-phenylpropanoyl-CoA", + "(R)-beta-Phenylalanoyl-CoA", + "Amino phenylpropanoyl-CoA", + "beta-Phenylalanoyl-CoA" + ] + }, + { + "compound_id": "C16834", + "inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", + "name": "1-Pentanol", + "names": [ + "1-Pentanol" + ] + }, + { + "compound_id": "C16835", + "inchi": "InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2", + "name": "Succinic aldehyde", + "names": [ + "Succindialdehyde", + "Succinic aldehyde" + ] + }, + { + "compound_id": "C16836", + "inchi": "InChI=1S/C11H20N2O2/c14-11(15)13-8-4-10(5-9-13)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)", + "name": "1,4'-Bipiperidine-1'-carboxylic acid", + "names": [ + "1,4'-Bipiperidine-1'-carboxylic acid", + "[1,4'-Bipiperidine]-1'-carboxylic acid" + ] + }, + { + "compound_id": "C16837", + "inchi": "InChI=1S/C6H12N2O2/c7-5-1-3-8(4-2-5)6(9)10/h5H,1-4,7H2,(H,9,10)", + "name": "4-Amino-1-piperidinecarboxylic acid", + "names": [ + "4-Amino-1-piperidinecarboxylic acid" + ] + }, + { + "compound_id": "C16838", + "inchi": "InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3", + "name": "Alternariol", + "names": [ + "Alternariol" + ] + }, + { + "compound_id": "C16839", + "inchi": "InChI=1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6-,14-8-/t26-,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,46-,47+,48-,49+/m1/s1", + "name": "Brevetoxin A", + "names": [ + "Brevetoxin A" + ] + }, + { + "compound_id": "C16840", + "inchi": "InChI=1S/C15H12BrN3/c16-9-3-4-10-11-5-7-18-15(12-2-1-6-17-12)14(11)19-13(10)8-9/h3-5,7-8,19H,1-2,6H2", + "name": "Eudistomin G", + "names": [ + "Eudistomin G" + ] + }, + { + "compound_id": "C16841", + "inchi": "InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1", + "name": "Squalamine", + "names": [ + "Squalamine" + ] + }, + { + "compound_id": "C16842", + "inchi": "InChI=1S/C6H10N2O6S/c1-4(9)7-6(14-2)3-8(5(6)10)15(11,12)13/h3H2,1-2H3,(H,7,9)(H,11,12,13)/t6-/m1/s1", + "name": "SQ 26180", + "names": [ + "SQ 26180" + ] + }, + { + "compound_id": "C16843", + "inchi": "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1", + "name": "Deoxynojirimycin", + "names": [ + "Deoxynojirimycin", + "Moranolin" + ] + }, + { + "compound_id": "C16844", + "inchi": "InChI=1S/HO/h1H", + "name": "Hydroxyl radical", + "names": [ + "Hydrogen oxide", + "Hydroxyl radical" + ] + }, + { + "compound_id": "C16845", + "inchi": "InChI=1S/HNO3/c2-1-4-3/h3H/p-1", + "name": "Peroxynitrite", + "names": [ + "Peroxynitrite" + ] + }, + { + "compound_id": "C16846", + "inchi": "InChI=1S/C19H20N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18H,1,8,10-12H2/t13-,14?,18-/m0/s1", + "name": "Cinchonidinone", + "names": [ + "(8alpha)-Cinchonan-9-one", + "Cinchonidinone" + ] + }, + { + "compound_id": "C16847", + "inchi": "InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1", + "name": "Didemnin B", + "names": [ + "Didemnin B" + ] + }, + { + "compound_id": "C16848", + "inchi": "InChI=1S/C6H11O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h5-6,9-10H,2H2,1H3,(H2,11,12,13)/t5-,6-/m1/s1", + "name": "6-Deoxy-5-ketofructose 1-phosphate", + "names": [ + "6-Deoxy-5-ketofructose 1-phosphate" + ] + }, + { + "compound_id": "C16849", + "inchi": "InChI=1S/C3H5O6P/c4-1-3(5)2-9-10(6,7)8/h1H,2H2,(H2,6,7,8)", + "name": "Hydroxypyruvaldehyde phosphate", + "names": [ + "Hydroxypyruvaldehyde phosphate" + ] + }, + { + "compound_id": "C16850", + "inchi": "InChI=1S/C7H13NO5/c1-3(9)6(11)5(10)2-4(8)7(12)13/h4-6,10-11H,2,8H2,1H3,(H,12,13)/t4-,5+,6+/m0/s1", + "name": "2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid", + "names": [ + "2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid" + ] + }, + { + "compound_id": "C16852", + "inchi": "InChI=1S/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9-,13-8+/t30-,31+,32+,33+,34+,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1", + "name": "Gambiertoxin 4b", + "names": [ + "Gambiertoxin 4b" + ] + }, + { + "compound_id": "C16855", + "inchi": "InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4?,5-,9-/m0/s1", + "name": "Gonyautoxin 1", + "names": [ + "Gonyautoxin 1" + ] + }, + { + "compound_id": "C16856", + "inchi": "InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4?,5-,9-/m0/s1", + "name": "Gonyautoxin 2", + "names": [ + "Gonyautoxin 2" + ] + }, + { + "compound_id": "C16857", + "inchi": "InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1", + "name": "Brevetoxin B", + "names": [ + "Brevetoxin B" + ] + }, + { + "compound_id": "C16858", + "inchi": "InChI=1S/C20H32O/c1-13(2)7-6-8-14(3)18-12-9-15(4)17-11-10-16(5)19(17)20(18)21/h7,10,14,17-21H,4,6,8-9,11-12H2,1-3,5H3/t14-,17+,18+,19-,20-/m1/s1", + "name": "Pachydictyol A", + "names": [ + "Pachydictyol A" + ] + }, + { + "compound_id": "C16859", + "inchi": "InChI=1S/C24H32O9/c1-12-7-8-17(31-14(3)25)22(5)10-9-16(27)23(6,29)19(22)20(32-15(4)26)24(30)13(2)21(28)33-18(24)11-12/h9-11,13,17-20,29-30H,7-8H2,1-6H3/b12-11-/t13-,17+,18-,19+,20-,22+,23+,24-/m0/s1", + "name": "Renillafoulin A", + "names": [ + "Renillafoulin A" + ] + }, + { + "compound_id": "C16860", + "inchi": "InChI=1S/C12H13Br3N2/c1-16(2)6-8-7-4-9(13)10(14)5-11(7)17(3)12(8)15/h4-5H,6H2,1-3H3", + "name": "2,5,6-Tribromo-1-methylgramine", + "names": [ + "2,5,6-Tribromo-1-methylgramine" + ] + }, + { + "compound_id": "C16861", + "inchi": "InChI=1S/C32H50O10/c1-10-11-17(3)30-32(8,42-30)29(38)22-15-41-31(39)27(37)28(40-9)21(7)26(36)20(6)24(34)19(5)14-18(4)23(33)13-12-16(2)25(22)35/h10-11,14,16-18,20-22,24,27-30,34,37-38H,12-13,15H2,1-9H3/b11-10-,19-14+/t16-,17+,18+,20-,21-,22+,24+,27-,28+,29+,30-,32-/m1/s1", + "name": "13-Deoxytedanolide", + "names": [ + "13-Deoxytedanolide" + ] + }, + { + "compound_id": "C16868", + "inchi": "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1", + "name": "Tauroursodeoxycholic acid", + "names": [ + "Tauroursodeoxycholic acid" + ] + }, + { + "compound_id": "C16873", + "inchi": "InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4-,7-6+", + "name": "Bombykol", + "names": [ + "Bombykol" + ] + }, + { + "compound_id": "C16874", + "inchi": "InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1", + "name": "Makisterone A", + "names": [ + "Makisterone A" + ] + }, + { + "compound_id": "C16880", + "inchi": "InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)", + "name": "S 1319", + "names": [ + "S 1319" + ] + }, + { + "compound_id": "C16884", + "inchi": "InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1", + "name": "D-Threitol", + "names": [ + "D-Threitol" + ] + }, + { + "compound_id": "C16885", + "inchi": "InChI=1S/C59H92O16/c1-30(18-31(2)28-60)19-42-33(4)21-48-56(7,74-42)27-46-54(71-48)55(65)59(10)50(69-46)26-45-53(75-59)32(3)12-11-13-40-39(67-45)16-17-47-57(8,72-40)29-58(9)49(70-47)25-44-41(73-58)15-14-38(62)43(68-44)24-36(61)23-37-20-34(5)52(66-37)35(6)22-51(63)64/h11-12,18,31-32,34-50,52-55,60-62,65H,4,13-17,19-29H2,1-3,5-10H3,(H,63,64)/b12-11-,30-18+/t31-,32-,34-,35+,36-,37+,38+,39-,40+,41-,42+,43-,44+,45+,46+,47+,48+,49-,50-,52+,53-,54+,55-,56-,57-,58+,59-/m1/s1", + "name": "Gambieric acid A", + "names": [ + "Gambieric acid A" + ] + }, + { + "compound_id": "C16886", + "inchi": "InChI=1S/C60H94O16/c1-31(19-32(2)29-61)20-42-34(4)22-48-57(8,75-42)28-45-54(72-48)55(65)60(11)50(70-45)27-44-53(76-60)33(3)13-12-14-40-39(68-44)15-16-46-58(9,73-40)30-59(10)49(71-46)26-43-41(74-59)17-18-56(7,66)47(69-43)25-37(62)24-38-21-35(5)52(67-38)36(6)23-51(63)64/h12-13,19,32-33,35-50,52-55,61-62,65-66H,4,14-18,20-30H2,1-3,5-11H3,(H,63,64)/b13-12-,31-19+/t32-,33-,35-,36+,37-,38+,39-,40+,41-,42+,43+,44+,45+,46+,47-,48+,49-,50-,52+,53-,54+,55-,56+,57-,58-,59+,60-/m1/s1", + "name": "Gambieric acid B", + "names": [ + "Gambieric acid B" + ] + }, + { + "compound_id": "C16887", + "inchi": "InChI=1S/C65H100O19/c1-33(19-35(3)31-74-57(72)22-34(2)21-55(68)69)20-46-37(5)24-52-62(8,83-46)30-50-60(80-52)61(73)65(11)54(78-50)29-49-59(84-65)36(4)13-12-14-44-43(76-49)17-18-51-63(9,81-44)32-64(10)53(79-51)28-48-45(82-64)16-15-42(67)47(77-48)27-40(66)26-41-23-38(6)58(75-41)39(7)25-56(70)71/h12-13,19,34-36,38-54,58-61,66-67,73H,5,14-18,20-32H2,1-4,6-11H3,(H,68,69)(H,70,71)/b13-12-,33-19+/t34-,35+,36+,38+,39-,40+,41-,42-,43+,44-,45+,46-,47+,48-,49-,50-,51-,52-,53+,54+,58-,59+,60-,61+,62+,63+,64-,65+/m0/s1", + "name": "Gambieric acid C", + "names": [ + "Gambieric acid C" + ] + }, + { + "compound_id": "C16888", + "inchi": "InChI=1S/C66H102O19/c1-34(20-36(3)32-75-57(72)23-35(2)22-55(68)69)21-46-38(5)25-52-63(9,84-46)31-49-60(81-52)61(73)66(12)54(79-49)30-48-59(85-66)37(4)14-13-15-44-43(77-48)16-17-50-64(10,82-44)33-65(11)53(80-50)29-47-45(83-65)18-19-62(8,74)51(78-47)28-41(67)27-42-24-39(6)58(76-42)40(7)26-56(70)71/h13-14,20,35-37,39-54,58-61,67,73-74H,5,15-19,21-33H2,1-4,6-12H3,(H,68,69)(H,70,71)/b14-13-,34-20+/t35-,36+,37+,39+,40-,41+,42-,43+,44-,45+,46-,47-,48-,49-,50-,51+,52-,53+,54+,58-,59+,60-,61+,62-,63+,64+,65-,66+/m0/s1", + "name": "Gambieric acid D", + "names": [ + "Gambieric acid D" + ] + }, + { + "compound_id": "C16889", + "inchi": "InChI=1S/C23H46NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(28-21(2)25)20-23(26)27-19-18-24(3,4)5;/h22H,6-20H2,1-5H3;1H/q+1;/p-1/t22-;/m0./s1", + "name": "Pahutoxin", + "names": [ + "Pahutoxin" + ] + }, + { + "compound_id": "C16890", + "inchi": "InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-25-22(13-24(32)27(20,21)3)26(2)10-9-19(30)11-18(26)12-23(25)31/h16-25,28-32H,4-15H2,1-3H3/t16-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "5-alpha-Cyprinol", + "names": [ + "5-alpha-Cyprinol" + ] + }, + { + "compound_id": "C16891", + "inchi": "InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19-/t21-,22+,23-,24+,26-,28-/m1/s1", + "name": "Callystatin A", + "names": [ + "Callystatin A" + ] + }, + { + "compound_id": "C16893", + "inchi": "InChI=1S/C26H44N2O/c1-21(2)10-8-11-22(3)12-9-13-23(4)15-16-26(29)27-20-24-17-19-28(5)18-7-6-14-25(24)28/h10,12,15-16,23-25H,6-9,11,13-14,17-20H2,1-5H3/p+1/b16-15+,22-12+/t23-,24-,25+,28-/m0/s1", + "name": "Stellettamide A", + "names": [ + "Stellettamide A" + ] + }, + { + "compound_id": "C16894", + "inchi": "InChI=1S/C29H46N2/c1-18(2)22-12-15-31-27(22)16-19(3)24-8-9-25-23-7-6-20-17-21(30)10-13-28(20,4)26(23)11-14-29(24,25)5/h7,19-21,24-26H,6,8-17,30H2,1-5H3/t19-,20+,21-,24-,25+,26+,28+,29-/m1/s1", + "name": "Plakinamine A", + "names": [ + "Plakinamine A" + ] + }, + { + "compound_id": "C16895", + "inchi": "InChI=1S/C31H50N2/c1-21(7-8-23-15-18-33(6)20-22(23)2)27-11-12-28-26-10-9-24-19-25(32-5)13-16-30(24,3)29(26)14-17-31(27,28)4/h7-8,10,21,24-25,27-29,32H,9,11-20H2,1-6H3/b8-7+/t21-,24+,25-,27-,28+,29+,30+,31-/m1/s1", + "name": "Plakinamine B", + "names": [ + "Plakinamine B" + ] + }, + { + "compound_id": "C16896", + "inchi": "InChI=1S/C11H12O3/c1-2-3-8(7-12)10-6-9(13)4-5-11(10)14/h2-6,12-14H,1,7H2/b8-3-", + "name": "Nakitriol", + "names": [ + "Nakitriol" + ] + }, + { + "compound_id": "C16903", + "inchi": "InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3", + "name": "Perazine", + "names": [ + "Perazine" + ] + }, + { + "compound_id": "C16906", + "inchi": "InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2", + "name": "Anabaseine", + "names": [ + "Anabaseine" + ] + }, + { + "compound_id": "C16908", + "inchi": "InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13?,15?/m1/s1", + "name": "Caryophyllene epoxide", + "names": [ + "Caryophyllene epoxide", + "Caryophyllene oxide" + ] + }, + { + "compound_id": "C16909", + "inchi": "InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3", + "name": "1,4-Cineole", + "names": [ + "1,4-Cineole", + "1,4-Epoxy-p-menthane" + ] + }, + { + "compound_id": "C16910", + "inchi": "InChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15+,17+,18+,19+/m0/s1", + "name": "Acutumine", + "names": [ + "Acutumine" + ] + }, + { + "compound_id": "C16911", + "inchi": "InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1", + "name": "Afzelin", + "names": [ + "Afzelin", + "Kaempferin", + "Kaempferol 3-O-alpha-L-rhamnoside" + ] + }, + { + "compound_id": "C16912", + "inchi": "InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1", + "name": "Alphitolic acid", + "names": [ + "2alpha-Hydroxybetulinic acid", + "Alphitolic acid" + ] + }, + { + "compound_id": "C16913", + "inchi": "InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/m1/s1", + "name": "Anemonin", + "names": [ + "Anemonin", + "Pulsatilla camphor" + ] + }, + { + "compound_id": "C16914", + "inchi": "InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,9H,8H2,1-3H3", + "name": "Isobyakangelicol", + "names": [ + "Anhydrobyakangelicin", + "Isobyakangelicol" + ] + }, + { + "compound_id": "C16915", + "inchi": "InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1", + "name": "Arctiin", + "names": [ + "Arctiin" + ] + }, + { + "compound_id": "C16916", + "inchi": "InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1", + "name": "Arundoin", + "names": [ + "Arundoin" + ] + }, + { + "compound_id": "C16918", + "inchi": "InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+", + "name": "Atractylodin", + "names": [ + "Atractylodin" + ] + }, + { + "compound_id": "C16919", + "inchi": "InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1", + "name": "Atractylone", + "names": [ + "Atractylol", + "Atractylone", + "Atractyloxide" + ] + }, + { + "compound_id": "C16920", + "inchi": "InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11?,12-,15?/m0/s1", + "name": "Bornyl isovalerate", + "names": [ + "Bornyl isovalerate", + "Bornyval", + "Hysterol" + ] + }, + { + "compound_id": "C16921", + "inchi": "InChI=1S/C24H34O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h6,11,15,17-21H,3-5,7-10,12-14H2,1-2H3/t17?,18-,19+,20+,21-,23-,24+/m0/s1", + "name": "Bufadienolide", + "names": [ + "Bufadienolide" + ] + }, + { + "compound_id": "C16922", + "inchi": "InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1", + "name": "Bufalin", + "names": [ + "Bufalin" + ] + }, + { + "compound_id": "C16923", + "inchi": "InChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1", + "name": "Bufotalin", + "names": [ + "3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate", + "Bufotalin" + ] + }, + { + "compound_id": "C16924", + "inchi": "InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-", + "name": "Butylidenephthalide", + "names": [ + "Butylidenephthalide" + ] + }, + { + "compound_id": "C16925", + "inchi": "InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1", + "name": "Byakangelicol", + "names": [ + "Byakangelicol" + ] + }, + { + "compound_id": "C16926", + "inchi": "InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,7H2,1H3", + "name": "Capillarin", + "names": [ + "Capillarin" + ] + }, + { + "compound_id": "C16927", + "inchi": "InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3", + "name": "Capillene", + "names": [ + "Capillene" + ] + }, + { + "compound_id": "C16928", + "inchi": "InChI=1S/C12H12O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2-10H,1H3/b3-2+,10-5+", + "name": "Capillone", + "names": [ + "Capillone" + ] + }, + { + "compound_id": "C16929", + "inchi": "InChI=1S/C15H14O4/c1-15(2)8-7-11(14(17)19-15)12-9-5-3-4-6-10(9)13(16)18-12/h3-7,12H,8H2,1-2H3", + "name": "Catalpalactone", + "names": [ + "Catalpalactone" + ] + }, + { + "compound_id": "C16930", + "inchi": "InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2", + "name": "Chavicol", + "names": [ + "Chavicol" + ] + }, + { + "compound_id": "C16931", + "inchi": "InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1", + "name": "Cinobufagin", + "names": [ + "Cinobufagin" + ] + }, + { + "compound_id": "C16932", + "inchi": "InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17?,18?,20-,21+,22+,23+,24+,25-,26+/m0/s1", + "name": "Cinobufotalin", + "names": [ + "Cinobufotalin" + ] + }, + { + "compound_id": "C16933", + "inchi": "InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2", + "name": "3,6-Dihydropyridine", + "names": [ + "3,6-Dihydropyridine" + ] + }, + { + "compound_id": "C16937", + "inchi": "InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,9-11H,2-4,6,8H2,1H3/t9-,10+,11-/m0/s1", + "name": "Cnidilide", + "names": [ + "Cnidilide" + ] + }, + { + "compound_id": "C16938", + "inchi": "InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1", + "name": "Coptisine", + "names": [ + "Coptisine" + ] + }, + { + "compound_id": "C16939", + "inchi": "InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1", + "name": "Crataegolic acid", + "names": [ + "Crataegolic acid", + "Masilinic acid" + ] + }, + { + "compound_id": "C16940", + "inchi": "InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-4,6,11,16,18-20H,5H2/t11-/m0/s1", + "name": "Carthamidin", + "names": [ + "Carthamidin" + ] + }, + { + "compound_id": "C16941", + "inchi": "InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1", + "name": "Carthamin", + "names": [ + "Carthamin" + ] + }, + { + "compound_id": "C16942", + "inchi": "InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3", + "name": "Curcumenol", + "names": [ + "Curcumenol" + ] + }, + { + "compound_id": "C16943", + "inchi": "InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m0/s1", + "name": "Curzerenone", + "names": [ + "Curzerenone" + ] + }, + { + "compound_id": "C16945", + "inchi": "InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12,14,16H,1,5-9H2,2-4H3/t12-,14-,15+/m1/s1", + "name": "Cyperol", + "names": [ + "Cyperol" + ] + }, + { + "compound_id": "C16946", + "inchi": "InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3/t12-,13+,14+,15+/m1/s1", + "name": "Cyperolone", + "names": [ + "Cyperolone" + ] + }, + { + "compound_id": "C16947", + "inchi": "InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h11H,2-10H2,1H3", + "name": "Decanoyl acetaldehyde", + "names": [ + "Decanoyl acetaldehyde" + ] + }, + { + "compound_id": "C16949", + "inchi": "InChI=1S/C15H22O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,12H,5,7-9H2,1-4H3/b11-6-/t12-/m0/s1", + "name": "Dehydrocurdione", + "names": [ + "Dehydrocurdione" + ] + }, + { + "compound_id": "C16950", + "inchi": "InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1", + "name": "Dehydroeburicoic acid", + "names": [ + "Dehydroeburicoic acid", + "Dehydrotrametenolic acid" + ] + }, + { + "compound_id": "C16951", + "inchi": "InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3", + "name": "Deoxyschizandrin", + "names": [ + "Deoxyschizandrin" + ] + }, + { + "compound_id": "C16952", + "inchi": "InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)", + "name": "Dihydrocapsaicin", + "names": [ + "Dihydrocapsaicin" + ] + }, + { + "compound_id": "C16953", + "inchi": "InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13-/t14-,17-,20-/m0/s1", + "name": "Dihydrocorynantheine", + "names": [ + "18,19-Dihydrocorynantheine", + "Dihydrocorynantheine" + ] + }, + { + "compound_id": "C16954", + "inchi": "InChI=1S/C38H44N2O8/c1-39-9-7-37-17-27(41)29(45-3)15-23(37)25(39)11-21-19(13-31(47-5)35(43)33(21)37)20-14-32(48-6)36(44)34-22(20)12-26-24-16-30(46-4)28(42)18-38(24,34)8-10-40(26)2/h13-16,23-26,43-44H,7-12,17-18H2,1-6H3/t23-,24-,25+,26+,37-,38-/m1/s1", + "name": "Disinomenine", + "names": [ + "Bisinomenine", + "Disinomenine" + ] + }, + { + "compound_id": "C16955", + "inchi": "InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3", + "name": "Eucarvone", + "names": [ + "Eucarvone" + ] + }, + { + "compound_id": "C16956", + "inchi": "InChI=1S/C23H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(25)21-17-14-15-18-22(21)24(20)2/h6-7,14-15,17-19H,3-5,8-13,16H2,1-2H3/b7-6-", + "name": "Evocarpine", + "names": [ + "Evocarpine" + ] + }, + { + "compound_id": "C16957", + "inchi": "InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m1/s1", + "name": "Fargesin", + "names": [ + "Fargesin" + ] + }, + { + "compound_id": "C16958", + "inchi": "InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23+,24-,25+,27-,28-,29-,30+/m1/s1", + "name": "Fernenol", + "names": [ + "Fernenol" + ] + }, + { + "compound_id": "C16959", + "inchi": "InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6-", + "name": "Furanodiene", + "names": [ + "Furanodiene" + ] + }, + { + "compound_id": "C16960", + "inchi": "InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6-", + "name": "Furanodienone", + "names": [ + "Furanodienone" + ] + }, + { + "compound_id": "C16962", + "inchi": "InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19-,21-,22+,23-,24+/m1/s1", + "name": "Gamabufogenin", + "names": [ + "Gamabufogenin", + "Gamabufotalin" + ] + }, + { + "compound_id": "C16963", + "inchi": "InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1", + "name": "Gardoside", + "names": [ + "Gardoside" + ] + }, + { + "compound_id": "C16964", + "inchi": "InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1", + "name": "Gastrodin", + "names": [ + "4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside", + "Gastrodin" + ] + }, + { + "compound_id": "C16965", + "inchi": "InChI=1S/C23H34O15/c1-33-20(32)10-6-34-21(13-8(4-24)2-3-9(10)13)38-23-19(31)17(29)15(27)12(37-23)7-35-22-18(30)16(28)14(26)11(5-25)36-22/h2,6,9,11-19,21-31H,3-5,7H2,1H3/t9-,11-,12-,13-,14-,15-,16+,17+,18-,19-,21?,22-,23?/m1/s1", + "name": "Genipin 1-beta-gentiobioside", + "names": [ + "Genipin 1-beta-gentiobioside" + ] + }, + { + "compound_id": "C16966", + "inchi": "InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7-", + "name": "Germacrone", + "names": [ + "Germacrone" + ] + }, + { + "compound_id": "C16967", + "inchi": "InChI=1S/C30H48O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-23H,10-19H2,1-8H3/t21-,22+,23-,27-,28+,29-,30+/m1/s1", + "name": "Glutinone", + "names": [ + "Alnusenone", + "Glutinone" + ] + }, + { + "compound_id": "C16968", + "inchi": "InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3", + "name": "Glycyrol", + "names": [ + "Glycyrol", + "Neoglycyrol" + ] + }, + { + "compound_id": "C16969", + "inchi": "InChI=1S/C24H32O6/c1-21-8-5-18-19(6-10-23(28)12-16(26)4-9-22(18,23)14-25)24(21,29)11-7-17(21)15-2-3-20(27)30-13-15/h2-3,13-14,16-19,26,28-29H,4-12H2,1H3/t16-,17+,18-,19+,21+,22-,23-,24-/m0/s1", + "name": "Hellebrigenin", + "names": [ + "Bufotalidin", + "Hellebrigenin" + ] + }, + { + "compound_id": "C16970", + "inchi": "InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13?,15+/m0/s1", + "name": "Hinesol", + "names": [ + "Hinesol" + ] + }, + { + "compound_id": "C16971", + "inchi": "InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20+/m0/s1", + "name": "Hirsuteine", + "names": [ + "Hirsuteine" + ] + }, + { + "compound_id": "C16972", + "inchi": "InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1", + "name": "Hirsutine", + "names": [ + "Hirsutine" + ] + }, + { + "compound_id": "C16973", + "inchi": "InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1", + "name": "Isoarborinol", + "names": [ + "Isoarborinol" + ] + }, + { + "compound_id": "C16974", + "inchi": "InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13+,14-,15+/m1/s1", + "name": "Isocyperol", + "names": [ + "Isocyperol" + ] + }, + { + "compound_id": "C16975", + "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+", + "name": "Isoelemicin", + "names": [ + "Isoelemicin" + ] + }, + { + "compound_id": "C16976", + "inchi": "InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3", + "name": "Isoimperatorin", + "names": [ + "Isoimperatorin" + ] + }, + { + "compound_id": "C16977", + "inchi": "InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3/t10-,11+,12-/m0/s1", + "name": "Isokobusone", + "names": [ + "Isokobusone" + ] + }, + { + "compound_id": "C16978", + "inchi": "InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1", + "name": "Isoliquiritin", + "names": [ + "Isoliquiritin" + ] + }, + { + "compound_id": "C16979", + "inchi": "InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1", + "name": "Isomangiferin", + "names": [ + "Isomangiferin" + ] + }, + { + "compound_id": "C16980", + "inchi": "InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1", + "name": "Isorhynchophylline", + "names": [ + "Isorhynchophylline" + ] + }, + { + "compound_id": "C16981", + "inchi": "InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1", + "name": "Kaempferitrin", + "names": [ + "Kaempferitrin", + "Kaempferol-dirhamnoside", + "Lespenefril" + ] + }, + { + "compound_id": "C16982", + "inchi": "InChI=1S/C10H10O4/c1-2-7(11)6-3-9-10(4-8(6)12)14-5-13-9/h3-4,12H,2,5H2,1H3", + "name": "Kakuol", + "names": [ + "Kakoul", + "Kakuol" + ] + }, + { + "compound_id": "C16983", + "inchi": "InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12?,14+/m0/s1", + "name": "Kobusone", + "names": [ + "Kobusone" + ] + }, + { + "compound_id": "C16984", + "inchi": "InChI=1S/C18H19NO4/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1", + "name": "Laurolitsine", + "names": [ + "Laurolitsine" + ] + }, + { + "compound_id": "C16985", + "inchi": "InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)", + "name": "Leonurine", + "names": [ + "Leonurine", + "Norboldine" + ] + }, + { + "compound_id": "C16986", + "inchi": "InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1", + "name": "Licoricidin", + "names": [ + "Licoricidin" + ] + }, + { + "compound_id": "C16987", + "inchi": "InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-", + "name": "Ligustilide", + "names": [ + "Ligustilide" + ] + }, + { + "compound_id": "C16988", + "inchi": "InChI=1S/C15H18O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10,13-14,16H,2,4-5H2,1,3H3/t9-,10-,13-,14+,15+/m1/s1", + "name": "Linderenol", + "names": [ + "Linderene", + "Linderenol" + ] + }, + { + "compound_id": "C16989", + "inchi": "InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1", + "name": "Liquiritin", + "names": [ + "Liquiritigenin-4'-beta-glucoside", + "Liquiritin" + ] + }, + { + "compound_id": "C16990", + "inchi": "InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1", + "name": "Lupenone", + "names": [ + "Lupenone" + ] + }, + { + "compound_id": "C16991", + "inchi": "InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-19(23-3)18(22)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1/t17-/m1/s1", + "name": "Magnocurarine", + "names": [ + "Magnocurarine" + ] + }, + { + "compound_id": "C16992", + "inchi": "InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15?,16?,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1", + "name": "Callinecdysone A", + "names": [ + "Callinecdysone A" + ] + }, + { + "compound_id": "C16993", + "inchi": "InChI=1S/C11H16/c1-2-3-8-11-9-6-4-5-7-10-11/h3-4,6-8,10-11H,2,5,9H2,1H3/t11-/m0/s1", + "name": "Ectocarpen", + "names": [ + "Ectocarpen" + ] + }, + { + "compound_id": "C16994", + "inchi": "InChI=1S/C7H15NO4/c1-8(2,3)4-5(9)6(10)7(11)12/h5-6,9-10H,4H2,1-3H3/t5-,6+/m0/s1", + "name": "Anthopleurine", + "names": [ + "Anthopleurine" + ] + }, + { + "compound_id": "C16995", + "inchi": "InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3", + "name": "Methyl palmitate", + "names": [ + "Methyl palmitate" + ] + }, + { + "compound_id": "C16996", + "inchi": "InChI=1S/C16H12N2O3/c1-20-14-12-13-10(7-8-17-12)9-5-3-4-6-11(9)18(13)16(19)15(14)21-2/h3-8H,1-2H3", + "name": "Methyl nigakinone", + "names": [ + "Methyl nigakinone" + ] + }, + { + "compound_id": "C16997", + "inchi": "InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16+/m0/s1", + "name": "Michelalbine", + "names": [ + "Michelalbine" + ] + }, + { + "compound_id": "C16998", + "inchi": "InChI=1S/C37H59NO9/c1-20(19-45-23(4)41)8-7-9-21(2)26-10-11-27-31-28(13-15-37(26,27)6)36(5)14-12-25(42)16-24(36)17-29(31)46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35/h16,20-21,26-35,39,43-44H,7-15,17-19H2,1-6H3,(H,38,40)/t20-,21-,26-,27-,28-,29?,30-,31-,32-,33-,34-,35?,36+,37-/m1/s1", + "name": "Pavoninin 1", + "names": [ + "Pavoninin 1" + ] + }, + { + "compound_id": "C16999", + "inchi": "InChI=1S/C19H18N4O7/c24-11(9-2-1-3-10(6-9)19(28)29)4-5-12-14(25)15(26)18(30-12)23-8-22-13-16(23)20-7-21-17(13)27/h1-3,6-8,12,14-15,18,25-26H,4-5H2,(H,28,29)(H,20,21,27)/t12-,14-,15-,18-/m1/s1", + "name": "Futalosine", + "names": [ + "Futalosine" + ] + }, + { + "compound_id": "C17000", + "inchi": "InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1", + "name": "Morroniside", + "names": [ + "Morroniside" + ] + }, + { + "compound_id": "C17002", + "inchi": "InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1", + "name": "Neocnidilide", + "names": [ + "Neocnidilide" + ] + }, + { + "compound_id": "C17003", + "inchi": "InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22+,23-,24-,25-,26-,27+/m0/s1", + "name": "Neogitogenin", + "names": [ + "Neogitogenin" + ] + }, + { + "compound_id": "C17005", + "inchi": "InChI=1S/C23H24O3/c1-2-3-18-22(25)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-20-23(26)21-24/h1,3,10,12,18,22-26H,7,9,11,14,16,19,21H2/b12-10-,18-3-", + "name": "Callytriol C", + "names": [ + "Callytriol C" + ] + }, + { + "compound_id": "C17007", + "inchi": "InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m1/s1", + "name": "Axisothiocyanate 3", + "names": [ + "Axisothiocyanate 3" + ] + }, + { + "compound_id": "C17008", + "inchi": "InChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16?,17+,18+,19-,20-,22+,24-/m1/s1", + "name": "Mycalamide A", + "names": [ + "Mycalamide A" + ] + }, + { + "compound_id": "C17009", + "inchi": "InChI=1S/C25H43NO10/c1-13-10-25(32-8,36-15(3)14(13)2)20(28)22(29)26-23-19-18(33-12-34-23)21(31-7)24(4,5)17(35-19)9-16(11-27)30-6/h14-21,23,27-28H,1,9-12H2,2-8H3,(H,26,29)/t14-,15-,16+,17?,18+,19+,20-,21-,23+,25-/m1/s1", + "name": "Mycalamide B", + "names": [ + "Mycalamide B" + ] + }, + { + "compound_id": "C17010", + "inchi": "InChI=1S/C14H16O7/c15-9(7-2-1-3-8(6-7)13(18)19)4-5-10-11(16)12(17)14(20)21-10/h1-3,6,10-12,14,16-17,20H,4-5H2,(H,18,19)/t10-,11-,12-,14?/m1/s1", + "name": "de-Hypoxanthine futalosine", + "names": [ + "Dehypoxanthine futalosine", + "de-Hypoxanthine futalosine" + ] + }, + { + "compound_id": "C17011", + "inchi": "InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6?,7?,8-,9?,10-,11+,12-,13+,14+,15?/m1/s1", + "name": "Leonuridine", + "names": [ + "Leonuridine" + ] + }, + { + "compound_id": "C17012", + "inchi": "InChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14,16-18,23-24H,7-8H2,1-5H3/t9-,10-,11+,12+,14-,16+,17-,18+,20-,21+/m1/s1", + "name": "Nigakilactone A", + "names": [ + "Nigakilactone A", + "Quassin" + ] + }, + { + "compound_id": "C17013", + "inchi": "InChI=1S/C22H32O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10-13,15,17-19,24H,8-9H2,1-6H3/t10-,11-,12+,13+,15-,17-,18+,19+,21-,22+/m1/s1", + "name": "Nigakilactone B", + "names": [ + "Nigakilactone B", + "Quassin", + "Simalikalactone A" + ] + }, + { + "compound_id": "C17016", + "inchi": "InChI=1S/C20H14N4/c1-4-16(13-21-8-1)19-12-15(7-11-23-19)18-6-3-10-24-20(18)17-5-2-9-22-14-17/h1-14H", + "name": "Nemertelline", + "names": [ + "Nemertelline" + ] + }, + { + "compound_id": "C17017", + "inchi": "InChI=1S/C14H14O7/c15-9-3-4-14(11(17)10(16)13(20)21-14)8-2-1-6(12(18)19)5-7(8)9/h1-2,5,10-11,13,16-17,20H,3-4H2,(H,18,19)/t10-,11+,13?,14?/m1/s1", + "name": "Cyclic de-hypoxanthine futalosine", + "names": [ + "Cyclic de-hypoxanthine futalosine" + ] + }, + { + "compound_id": "C17018", + "inchi": "InChI=1S/C11H8O4/c12-9-3-4-10(13)8-5-6(11(14)15)1-2-7(8)9/h1-5,12-13H,(H,14,15)", + "name": "1,4-Dihydroxy-6-naphthoate", + "names": [ + "1,4-Dihydroxy-6-naphthoate" + ] + }, + { + "compound_id": "C17019", + "inchi": "InChI=1S/C15H15NO/c1-14(17)9-6-4-2-3-5-7-10-15-11-8-12-16-13-15/h2-13H,1H3/b4-2+,5-3+,9-6+,10-7+", + "name": "Navenone A", + "names": [ + "Navenone A" + ] + }, + { + "compound_id": "C17020", + "inchi": "InChI=1S/C16H16O/c1-15(17)11-7-4-2-3-5-8-12-16-13-9-6-10-14-16/h2-14H,1H3/b4-2+,5-3+,11-7+,12-8+", + "name": "Navenone B", + "names": [ + "Navenone B" + ] + }, + { + "compound_id": "C17021", + "inchi": "InChI=1S/C16H16O2/c1-14(17)8-6-4-2-3-5-7-9-15-10-12-16(18)13-11-15/h2-13,18H,1H3/b4-2+,5-3+,8-6+,9-7+", + "name": "Navenone C", + "names": [ + "Navenone C" + ] + }, + { + "compound_id": "C17022", + "inchi": null, + "name": "O-Phosphoseryl-tRNA(Cys)", + "names": [ + "O-Phosphoseryl-tRNA(Cys)" + ] + }, + { + "compound_id": "C17023", + "inchi": null, + "name": "Sulfur donor", + "names": [ + "S-donor", + "Sulfur donor" + ] + }, + { + "compound_id": "C17024", + "inchi": "InChI=1S/C35H60O10/c1-18(17-43-20(3)37)7-6-8-19(2)23-9-10-24-29-25(15-28(39)35(23,24)5)34(4)12-11-22(38)13-21(34)14-26(29)44-33-32(42)31(41)30(40)27(16-36)45-33/h18-19,21-33,36,38-42H,6-17H2,1-5H3/t18-,19-,21+,22-,23-,24?,25?,26?,27-,28+,29?,30+,31+,32-,33?,34+,35-/m1/s1", + "name": "Mosesin 4", + "names": [ + "Mosesin 4" + ] + }, + { + "compound_id": "C17025", + "inchi": null, + "name": "Holothurin", + "names": [ + "Holothurin" + ] + }, + { + "compound_id": "C17027", + "inchi": null, + "name": "L-Pyrrolysyl-tRNA(Pyl)", + "names": [ + "L-Pyrrolysyl-tRNA(Pyl)" + ] + }, + { + "compound_id": "C17029", + "inchi": "InChI=1S/C24H34O7/c1-11-8-16(28-6)22(27)24(5)14(11)9-17-23(4)15(10-18(26)31-17)12(2)19(29-7)20(21(23)24)30-13(3)25/h8,11-12,14-15,17,19-21H,9-10H2,1-7H3/t11-,12-,14+,15+,17-,19+,20-,21+,23-,24+/m1/s1", + "name": "Nigakilactone C", + "names": [ + "Nigakilactone C", + "Quassin" + ] + }, + { + "compound_id": "C17030", + "inchi": "InChI=1S/C24H34O8/c1-11-8-14(29-6)20(27)22(3)13(11)9-16-23(4)15(10-17(26)32-16)24(5,28)21(30-7)18(19(22)23)31-12(2)25/h8,11,13,15-16,18-19,21,28H,9-10H2,1-7H3/t11-,13+,15-,16-,18+,19-,21-,22+,23-,24+/m1/s1", + "name": "Nigakilactone E", + "names": [ + "Nigakilactone E" + ] + }, + { + "compound_id": "C17031", + "inchi": "InChI=1S/C22H32O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-14,16-17,19,24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,16+,17-,19-,20+,21-,22+/m1/s1", + "name": "Nigakilactone F", + "names": [ + "Nigakilactone F" + ] + }, + { + "compound_id": "C17032", + "inchi": "InChI=1S/C22H32O8/c1-10-7-12(28-5)17(25)19(2)11(10)8-13-20(3)16(19)15(24)18(29-6)21(4,26)22(20,27)9-14(23)30-13/h7,10-11,13,15-16,18,24,26-27H,8-9H2,1-6H3/t10-,11+,13-,15+,16-,18-,19+,20-,21-,22+/m1/s1", + "name": "Nigakilactone H", + "names": [ + "Nigakilactone H" + ] + }, + { + "compound_id": "C17033", + "inchi": "InChI=1S/C22H30O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,9-11,14,16-17,19,24,26H,8H2,1-6H3/t10-,11+,14-,16+,17-,19-,20+,21-,22+/m1/s1", + "name": "Nigakilactone K", + "names": [ + "Nigakilactone K" + ] + }, + { + "compound_id": "C17034", + "inchi": "InChI=1S/C22H30O7/c1-10-6-12(26-5)18(24)20(2)11(10)7-14-21(3)13(8-15(23)29-14)22(4,25)19-16(17(20)21)27-9-28-19/h6,10-11,13-14,16-17,19,25H,7-9H2,1-5H3/t10-,11+,13?,14-,16+,17-,19-,20+,21-,22+/m1/s1", + "name": "Nigakilactone L", + "names": [ + "Nigakilactone L" + ] + }, + { + "compound_id": "C17035", + "inchi": "InChI=1S/C21H30O7/c1-9-6-12(27-5)18(25)19(3)11(9)7-13-20(4)17(19)16(24)15(23)10(2)21(20,26)8-14(22)28-13/h6,9-11,13,15-17,23-24,26H,7-8H2,1-5H3/t9-,10+,11+,13-,15+,16-,17-,19+,20-,21-/m1/s1", + "name": "Nigakilactone M", + "names": [ + "Nigakilactone M" + ] + }, + { + "compound_id": "C17036", + "inchi": "InChI=1S/C21H30O7/c1-9-6-11(27-5)17(24)19(2)10(9)7-13-20(3)12(8-14(22)28-13)21(4,26)18(25)15(23)16(19)20/h6,9-10,12-13,15-16,18,23,25-26H,7-8H2,1-5H3/t9-,10+,12-,13-,15+,16-,18-,19+,20-,21+/m1/s1", + "name": "Nigakilactone N", + "names": [ + "Nigakilactone N" + ] + }, + { + "compound_id": "C17038", + "inchi": "InChI=1S/C39H62O12/c1-17-9-12-39(46-16-17)18(2)28-26(51-39)15-25-23-8-7-21-13-22(40)14-27(38(21,6)24(23)10-11-37(25,28)5)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h7,17-20,22-36,40-45H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-/m1/s1", + "name": "Ophiopogonin B", + "names": [ + "Ophiopogonin B" + ] + }, + { + "compound_id": "C17039", + "inchi": "InChI=1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3", + "name": "Obtusifolin", + "names": [ + "Obtusifolin" + ] + }, + { + "compound_id": "C17040", + "inchi": "InChI=1S/C18H16O7/c1-7-5-8-12(18(25-4)13(7)19)15(21)11-9(14(8)20)6-10(23-2)17(24-3)16(11)22/h5-6,19,22H,1-4H3", + "name": "Obtusin", + "names": [ + "Obtusin" + ] + }, + { + "compound_id": "C17041", + "inchi": "InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1", + "name": "Ophiopogonin A", + "names": [ + "Ophiopogonin A" + ] + }, + { + "compound_id": "C17042", + "inchi": "InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37?,38-,39?,40+,41+,42+,43+,44-/m1/s1", + "name": "Ophiopogonin D", + "names": [ + "Ophiopogonin D" + ] + }, + { + "compound_id": "C17043", + "inchi": null, + "name": "Ophiopogonin C", + "names": [ + "Ophiopogonin C" + ] + }, + { + "compound_id": "C17044", + "inchi": "InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1", + "name": "Pachymic acid", + "names": [ + "Pachymic acid" + ] + }, + { + "compound_id": "C17045", + "inchi": "InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3", + "name": "Physcion", + "names": [ + "Emodin monomethyl ether", + "Parienin", + "Physcion", + "Rheochrysidin" + ] + }, + { + "compound_id": "C17046", + "inchi": "InChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1", + "name": "Phellodendrine", + "names": [ + "Phellodendrine" + ] + }, + { + "compound_id": "C17047", + "inchi": "InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3", + "name": "Phellopterin", + "names": [ + "Phellopterin" + ] + }, + { + "compound_id": "C17048", + "inchi": "InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25-,26+,27+/m0/s1", + "name": "Forsythin", + "names": [ + "Forsythin", + "Phillyrin" + ] + }, + { + "compound_id": "C17049", + "inchi": "InChI=1S/C26H34O8/c1-12-6-16(32-5)23(31)25(3)14(12)8-18-26(4)17(9-20(29)34-18)24(2,10-15(27)21(25)26)22(30)13-7-19(28)33-11-13/h6,12-15,17-18,21,27H,7-11H2,1-5H3/t12-,13-,14+,15-,17+,18-,21-,24?,25+,26-/m1/s1", + "name": "Picrasin A", + "names": [ + "Nigakilactone G", + "Picrasin A" + ] + }, + { + "compound_id": "C17050", + "inchi": "InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11+,12+,13+,14-,18+,20-,21+/m1/s1", + "name": "Picrasin B", + "names": [ + "Nigakilactone I", + "Picrasin B" + ] + }, + { + "compound_id": "C17051", + "inchi": "InChI=1S/C22H30O6/c1-10-6-14(25-5)20(24)22(4)12(10)7-15-21(3)13(8-16(23)28-15)11(2)17-18(19(21)22)27-9-26-17/h6,10-13,15,17-19H,7-9H2,1-5H3/t10-,11?,12+,13+,15-,17+,18-,19+,21-,22+/m1/s1", + "name": "Picrasin D", + "names": [ + "Picrasin D" + ] + }, + { + "compound_id": "C17052", + "inchi": "InChI=1S/C22H30O7/c1-10-6-13(26-5)19(24)20(3)12(10)7-14-21(4)18(20)17-16(27-9-28-17)11(2)22(21,25)8-15(23)29-14/h6,10-12,14,16-18,25H,7-9H2,1-5H3/t10-,11+,12+,14-,16+,17-,18-,20+,21-,22-/m1/s1", + "name": "Picrasin E", + "names": [ + "Picrasin E" + ] + }, + { + "compound_id": "C17053", + "inchi": "InChI=1S/C22H30O8/c1-10-6-12(27-5)17(24)19(2)11(10)7-13-20(3)16(19)15-18(29-9-28-15)21(4,25)22(20,26)8-14(23)30-13/h6,10-11,13,15-16,18,25-26H,7-9H2,1-5H3/t10-,11+,13-,15+,16-,18-,19+,20-,21-,22+/m1/s1", + "name": "Picrasin F", + "names": [ + "Picrasin F" + ] + }, + { + "compound_id": "C17054", + "inchi": "InChI=1S/C21H28O7/c1-9-6-12(22)18(25)19(3)11(9)7-13-20(4)17(19)15(24)16(27-5)10(2)21(20,26)8-14(23)28-13/h9,11-13,17,22,26H,6-8H2,1-5H3/t9-,11+,12+,13-,17-,19+,20-,21-/m1/s1", + "name": "Picrasin G", + "names": [ + "Picrasin G" + ] + }, + { + "compound_id": "C17055", + "inchi": "InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1", + "name": "Picrocrocin", + "names": [ + "Picrocrocin" + ] + }, + { + "compound_id": "C17056", + "inchi": "InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21-/m1/s1", + "name": "Plantaginin", + "names": [ + "Plantaginin", + "Scutellarein 7beta-D-glucopyranoside" + ] + }, + { + "compound_id": "C17057", + "inchi": "InChI=1S/C26H28O13/c27-7-16-20(32)21(33)22(34)25(38-16)17-15(39-26-23(35)19(31)14(29)9-37-26)6-5-12-18(30)13(8-36-24(12)17)10-1-3-11(28)4-2-10/h1-6,8,14,16,19-23,25-29,31-35H,7,9H2/t14-,16-,19+,20-,21+,22-,23-,25+,26-/m1/s1", + "name": "Puerarin xyloside", + "names": [ + "Puerarin xyloside" + ] + }, + { + "compound_id": "C17058", + "inchi": "InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17?,18?,19-,20-,22+,23-,24-/m1/s1", + "name": "Resibufogenin", + "names": [ + "Bufogein", + "Resibufogenin" + ] + }, + { + "compound_id": "C17059", + "inchi": "InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3", + "name": "Rhamnocitrin", + "names": [ + "3,4',5-Trihydroxy-7-methoxyflavone", + "7-Methylkaempferol", + "Rhamnocitrin" + ] + }, + { + "compound_id": "C17060", + "inchi": "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3", + "name": "Isotetrandrine", + "names": [ + "Isotetrandrine" + ] + }, + { + "compound_id": "C17061", + "inchi": "InChI=1/Rb/q+1", + "name": "Rubidium cation", + "names": [ + "Rubidium cation" + ] + }, + { + "compound_id": "C17062", + "inchi": "InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3", + "name": "Safranal", + "names": [ + "Safranal" + ] + }, + { + "compound_id": "C17063", + "inchi": "InChI=1S/C12H19NO2/c1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10/h5-6,9H,7-8H2,1-4H3/p+1", + "name": "Salicifoline", + "names": [ + "Salicifoline" + ] + }, + { + "compound_id": "C17064", + "inchi": "InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3", + "name": "Schizandrin", + "names": [ + "Schizandrin" + ] + }, + { + "compound_id": "C17065", + "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)10-14(13)15/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+,15+/m0/s1", + "name": "Sesquicarene", + "names": [ + "Sesquicarene" + ] + }, + { + "compound_id": "C17066", + "inchi": "InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6-,7-,8+,9-,10-,11+,12-,14?,15?,16+/m1/s1", + "name": "Shanzhiside", + "names": [ + "Shanzhiside" + ] + }, + { + "compound_id": "C17067", + "inchi": "InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1", + "name": "Siaresinol", + "names": [ + "Siaresinol", + "Siaresinolic acid" + ] + }, + { + "compound_id": "C17068", + "inchi": "InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1", + "name": "Valerosidatum", + "names": [ + "Valerosidate", + "Valerosidatum" + ] + }, + { + "compound_id": "C17069", + "inchi": "InChI=1S/C15H24N2O2/c18-13-6-1-5-12-11-4-2-8-16-9-3-7-15(19,14(11)16)10-17(12)13/h11-12,14,19H,1-10H2/t11-,12-,14-,15-/m1/s1", + "name": "Sophoranol", + "names": [ + "5-Hydroxymatrine", + "Sophoranol" + ] + }, + { + "compound_id": "C17070", + "inchi": "InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30-/m0/s1", + "name": "Sumaresinol", + "names": [ + "Sumaresinol", + "Sumaresinolic acid" + ] + }, + { + "compound_id": "C17071", + "inchi": "InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15?,16?/m1/s1", + "name": "Sweroside", + "names": [ + "Sweroside" + ] + }, + { + "compound_id": "C17072", + "inchi": "InChI=1S/C24H34O5/c1-21-9-5-16(25)13-23(21,27)11-7-19-18(21)6-10-22(2)17(8-12-24(19,22)28)15-3-4-20(26)29-14-15/h3-4,14,16-19,25,27-28H,5-13H2,1-2H3/t16-,17+,18-,19+,21+,22+,23-,24-/m0/s1", + "name": "Telocinobufagin", + "names": [ + "Telocinobufagin" + ] + }, + { + "compound_id": "C17073", + "inchi": "InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3", + "name": "Terpineol-4", + "names": [ + "Terpinen-4-ol", + "Terpineol-4" + ] + }, + { + "compound_id": "C17074", + "inchi": "InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17?,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+/m0/s1", + "name": "Timosaponin A-I", + "names": [ + "Timosaponin A-I" + ] + }, + { + "compound_id": "C17075", + "inchi": "InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1", + "name": "Timosaponin A-III", + "names": [ + "Timosaponin A-III" + ] + }, + { + "compound_id": "C17076", + "inchi": "InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)", + "name": "Tridecanoic acid", + "names": [ + "Tridecanoic acid" + ] + }, + { + "compound_id": "C17077", + "inchi": "InChI=1S/C18H19NO3/c1-21-15-8-11-5-6-19-14-7-10-3-4-12(20)9-13(10)17(16(11)14)18(15)22-2/h3-4,8-9,14,19-20H,5-7H2,1-2H3/t14-/m1/s1", + "name": "Tuduranine", + "names": [ + "Tuduranine" + ] + }, + { + "compound_id": "C17079", + "inchi": "InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)", + "name": "3-Bromo-tyrosine", + "names": [ + "3-Bromo-tyrosine", + "3-Bromotyrosine" + ] + }, + { + "compound_id": "C17080", + "inchi": "InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)", + "name": "3,5-Dibromo-tyrosine", + "names": [ + "3,5-Dibromo-tyrosine", + "3,5-Dibromotyrosine" + ] + }, + { + "compound_id": "C17083", + "inchi": "InChI=1S/C20H16NO4/c1-11-14-6-18-17(23-10-24-18)5-13(14)8-21-3-2-12-4-16-19(25-9-22-16)7-15(12)20(11)21/h4-8H,2-3,9-10H2,1H3/q+1", + "name": "Worenine", + "names": [ + "Worenine" + ] + }, + { + "compound_id": "C17084", + "inchi": "InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-20H/b14-13+", + "name": "6,6'-Dibromoindigotin", + "names": [ + "6,6'-Dibromoindigo", + "6,6'-Dibromoindigotin" + ] + }, + { + "compound_id": "C17085", + "inchi": "InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5-/t14-,15-/m1/s1", + "name": "Zederone", + "names": [ + "Zederone" + ] + }, + { + "compound_id": "C17086", + "inchi": "InChI=1S/C9H8BrNO4S2/c1-16-9-8(15-17(12,13)14)6-3-2-5(10)4-7(6)11-9/h2-4,11H,1H3,(H,12,13,14)", + "name": "Tyrindoxyl sulfate", + "names": [ + "Tyrindoxyl sulfate" + ] + }, + { + "compound_id": "C17087", + "inchi": "InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12-,13-,15-/m1/s1", + "name": "dTDP-(3R)-amino-3,6-dideoxy-D-glucose", + "names": [ + "dTDP-(3R)-amino-3,6-dideoxy-D-glucose", + "dTDP-3-amino-3,6-dideoxy-D-allose" + ] + }, + { + "compound_id": "C17088", + "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3", + "name": "alpha-Bergamotene", + "names": [ + "alpha-Bergamotene" + ] + }, + { + "compound_id": "C17089", + "inchi": "InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H", + "name": "6-Chloroindole", + "names": [ + "6-Chloro-1H-indole", + "6-Chloroindole" + ] + }, + { + "compound_id": "C17090", + "inchi": "InChI=1/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1", + "name": "alpha-Cyperone", + "names": [ + "alpha-Cyperone" + ] + }, + { + "compound_id": "C17091", + "inchi": "InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+", + "name": "alpha-Sanshool", + "names": [ + "alpha-Sanshool" + ] + }, + { + "compound_id": "C17092", + "inchi": "InChI=1S/C19H18BrN3O4/c20-12-1-2-13-11(9-23-15(13)8-12)7-14(21)19(27)22-4-3-10-5-16(24)18(26)17(25)6-10/h1-6,8-9,14,23-26H,7,21H2,(H,22,27)/b4-3+/t14-/m0/s1", + "name": "Clionamide", + "names": [ + "Clionamide" + ] + }, + { + "compound_id": "C17093", + "inchi": "InChI=1S/C16H25N3O13P2/c1-7-5-19(16(23)18-14(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)9(17)3-8(2)29-15/h3,5,8,10-13,15,20-21H,4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,10+,11-,12-,13-,15-/m1/s1", + "name": "dTDP-3-amino-4,6-deoxy-3,4-dehydroglucose", + "names": [ + "dTDP-3-amino-4,6-deoxy-3,4-dehydroglucose" + ] + }, + { + "compound_id": "C17094", + "inchi": "InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1", + "name": "beta-Elemene", + "names": [ + "beta-Elemene" + ] + }, + { + "compound_id": "C17097", + "inchi": "InChI=1S/C24H18N2O4/c1-29-23(27)17-11-15-13-7-3-6-10-20(13)26-22(15)18(24(28)30-2)12-16-14-8-4-5-9-19(14)25-21(16)17/h3-12,25-26H,1-2H3/b15-11-,16-12-,17-11+,18-12+,21-17-,22-18-", + "name": "Caulerpin", + "names": [ + "Caulerpin" + ] + }, + { + "compound_id": "C17098", + "inchi": "InChI=1S/C7H6Br2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1,10-12H,2H2", + "name": "Lanosol", + "names": [ + "2,3-Dibromo-4,5-dihydroxybenzyl alcohol", + "Lanosol" + ] + }, + { + "compound_id": "C17099", + "inchi": "InChI=1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1", + "name": "Aeroplysinin 1", + "names": [ + "Aeroplysinin 1" + ] + }, + { + "compound_id": "C17100", + "inchi": "InChI=1S/C14H9Br3O3/c15-9-2-7(6-18)1-8-3-14(20-13(8)9)4-10(16)12(19)11(17)5-14/h1-2,4-5,18H,3,6H2", + "name": "Thelepin", + "names": [ + "Thelepin" + ] + }, + { + "compound_id": "C17101", + "inchi": "InChI=1S/C7H6N2O6/c1-15-7-5(9(13)14)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3", + "name": "3,5-Dinitroguaiacol", + "names": [ + "3,5-Dinitroguaiacol" + ] + }, + { + "compound_id": "C17102", + "inchi": "InChI=1S/C10H11Cl3O/c1-3-10(2,13)9(12)5-4-8(6-11)7-14/h3-7,9H,1H2,2H3/b5-4+,8-6+", + "name": "Cartilagineal", + "names": [ + "Cartilagineal" + ] + }, + { + "compound_id": "C17103", + "inchi": "InChI=1S/C10H14BrCl3O/c1-6(5-12)8(13)3-9(14)7(2)10(15)4-11/h5,8,10,15H,3-4H2,1-2H3/b6-5-,9-7+/t8-,10-/m1/s1", + "name": "Costatol", + "names": [ + "Costatol" + ] + }, + { + "compound_id": "C17104", + "inchi": "InChI=1S/C10H12Br2Cl2O2/c1-5(4-13)8-3-7(14)6(2)10(15,16-8)9(11)12/h4,8-9,15H,3H2,1-2H3/b5-4-/t8-,10+/m0/s1", + "name": "Costatone", + "names": [ + "Costatone" + ] + }, + { + "compound_id": "C17105", + "inchi": "InChI=1S/C10H13Cl3/c1-7-6-10(2,3-4-11)9(13)5-8(7)12/h3-4,8-9H,1,5-6H2,2H3/b4-3+/t8-,9+,10-/m0/s1", + "name": "Plocamene D", + "names": [ + "Plocamene D" + ] + }, + { + "compound_id": "C17106", + "inchi": "InChI=1S/C10H14BrCl3/c1-9(3-4-12)6-10(2,14)8(13)5-7(9)11/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9-,10+/m1/s1", + "name": "Mertensene", + "names": [ + "Mertensene" + ] + }, + { + "compound_id": "C17107", + "inchi": "InChI=1S/C10H13BrCl4/c1-9(2-3-12)5-10(15,6-11)8(14)4-7(9)13/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-,8+,9+,10+/m1/s1", + "name": "Violacene", + "names": [ + "Violacene" + ] + }, + { + "compound_id": "C17108", + "inchi": "InChI=1S/C10H13Cl3/c1-7-6-10(2,13)9(12)5-8(7)3-4-11/h3-4,8-9H,1,5-6H2,2H3/b4-3+/t8-,9+,10-/m1/s1", + "name": "Plocamene E", + "names": [ + "Plocamene E" + ] + }, + { + "compound_id": "C17109", + "inchi": "InChI=1S/C10H14BrCl3/c1-9(11)6-10(2,14)8(13)5-7(9)3-4-12/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8+,9-,10-/m1/s1", + "name": "Plocamene C", + "names": [ + "Plocamene C" + ] + }, + { + "compound_id": "C17110", + "inchi": "InChI=1S/C10H13Cl3/c1-7-6-10(2,13)9(12)5-8(7)3-4-11/h3-4,9H,5-6H2,1-2H3/b4-3+/t9-,10+/m0/s1", + "name": "Plocamene B", + "names": [ + "Plocamene B" + ] + }, + { + "compound_id": "C17111", + "inchi": "InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,18)11(17)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11-,12+,14-,15+/m0/s1", + "name": "Caespitol", + "names": [ + "Caespitol" + ] + }, + { + "compound_id": "C17112", + "inchi": "InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,17)11(18)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1", + "name": "Isocaespitol", + "names": [ + "Isocaespitol" + ] + }, + { + "compound_id": "C17113", + "inchi": "InChI=1S/C12H16BrClO/c1-8-10(4-6-15-8)9-3-5-12(2,14)11(13)7-9/h4,6,9,11H,3,5,7H2,1-2H3/t9-,11-,12-/m0/s1", + "name": "Furocaespitane", + "names": [ + "Furocaespitane" + ] + }, + { + "compound_id": "C17120", + "inchi": "InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,14-/m1/s1", + "name": "beta-Gurjunene", + "names": [ + "beta-Gurjunene" + ] + }, + { + "compound_id": "C17123", + "inchi": "InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1", + "name": "epi-Friedelanol", + "names": [ + "beta-Friedelinol", + "epi-Friedelanol" + ] + }, + { + "compound_id": "C17124", + "inchi": "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15-/m1/s1", + "name": "gamma-Eudesmol", + "names": [ + "Machilol", + "Selinenol", + "Uncineol", + "gamma-Eudesmol" + ] + }, + { + "compound_id": "C17125", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1", + "name": "(-)-Isomenthone", + "names": [ + "(-)-Isomenthone", + "l-Isomenthone" + ] + }, + { + "compound_id": "C17126", + "inchi": "InChI=1S/C17H16O6/c1-9(2)12(18)8-22-17-15-11(6-7-21-15)14(20-3)10-4-5-13(19)23-16(10)17/h4-7,12,18H,1,8H2,2-3H3", + "name": "Neobyakangelicol", + "names": [ + "Neobyakangelicol" + ] + }, + { + "compound_id": "C17139", + "inchi": "InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-13,19H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,11+,12+,13+/m0/s1", + "name": "dTDP-3,4-dioxo-2,6-dideoxy-L-glucose", + "names": [ + "dTDP-3,4-dioxo-2,6-dideoxy-L-glucose" + ] + }, + { + "compound_id": "C17140", + "inchi": "InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1", + "name": "Tribuloside", + "names": [ + "Tribuloside" + ] + }, + { + "compound_id": "C17141", + "inchi": null, + "name": "[Heparan sulfate]-glucosamine", + "names": [ + "[Heparan sulfate]-glucosamine" + ] + }, + { + "compound_id": "C17142", + "inchi": null, + "name": "[Heparan sulfate]-N-sulfoglucosamine", + "names": [ + "[Heparan sulfate]-N-sulfoglucosamine" + ] + }, + { + "compound_id": "C17144", + "inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3", + "name": "3-Octanol", + "names": [ + "3-Octanol" + ] + }, + { + "compound_id": "C17145", + "inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3", + "name": "3-Octanone", + "names": [ + "3-Octanone" + ] + }, + { + "compound_id": "C17146", + "inchi": "InChI=1S/C5H13N3O/c6-5(7)8-3-1-2-4-9/h9H,1-4H2,(H4,6,7,8)", + "name": "4-Guanidino-1-butanol", + "names": [ + "4-Guanidino-1-butanol" + ] + }, + { + "compound_id": "C17147", + "inchi": "InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1", + "name": "Neochlorogenic acid", + "names": [ + "Neochlorogenate", + "Neochlorogenic acid", + "trans-Neochlorogenic acid" + ] + }, + { + "compound_id": "C17148", + "inchi": "InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1", + "name": "Oleanolic acid", + "names": [ + "3beta-Hydroxyolean-12-en-28-oic acid", + "Astrantiagenin C", + "Caryophyllin", + "Oleanolic acid" + ] + }, + { + "compound_id": "C17158", + "inchi": "InChI=1S/C17H30O4/c1-5-8-9-13(6-2)11-17(4)12-14(7-3)15(20-21-17)10-16(18)19/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,18,19)/b9-8+", + "name": "Plakortic acid", + "names": [ + "Plakortic acid" + ] + }, + { + "compound_id": "C17159", + "inchi": "InChI=1S/C29H52O12S3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1", + "name": "Halistanol sulfate", + "names": [ + "Halistanol sulfate" + ] + }, + { + "compound_id": "C17160", + "inchi": "InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-6-10(30)8-35-17-11(23)2-9(3-12(17)24)15-7-28-21(33)36-15/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)", + "name": "Fistularin 1", + "names": [ + "Fistularin 1" + ] + }, + { + "compound_id": "C17161", + "inchi": "InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-7-15(30)9-2-11(23)17(12(24)3-9)35-8-10-6-28-21(33)36-10/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)", + "name": "Fistularin 2", + "names": [ + "Fistularin 2" + ] + }, + { + "compound_id": "C17162", + "inchi": "InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23)/t13-,15+/m0/s1", + "name": "Aerophobin 1", + "names": [ + "Aerophobin 1" + ] + }, + { + "compound_id": "C17163", + "inchi": "InChI=1S/C16H19Br2N5O4/c1-26-12-9(17)5-16(13(24)11(12)18)6-10(23-27-16)14(25)20-4-2-3-8-7-21-15(19)22-8/h5,7,13,24H,2-4,6H2,1H3,(H,20,25)(H3,19,21,22)/t13-,16+/m0/s1", + "name": "Aerophobin 2", + "names": [ + "Aerophobin 2" + ] + }, + { + "compound_id": "C17166", + "inchi": "InChI=1S/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m1/s1", + "name": "Sceptrin", + "names": [ + "Sceptrin" + ] + }, + { + "compound_id": "C17167", + "inchi": "InChI=1S/C14H16BrN3O2S/c15-9-4-11-8(3-12(9)19)7-1-2-18-14(13(7)17-11)10(16)5-21-6-20-18/h3-4,10,14,17,19H,1-2,5-6,16H2/t10-,14+/m1/s1", + "name": "Eudistomin C", + "names": [ + "Eudistomin C" + ] + }, + { + "compound_id": "C17168", + "inchi": "InChI=1S/C15H12BrN3/c16-9-3-4-12-11(8-9)10-5-7-18-15(14(10)19-12)13-2-1-6-17-13/h3-5,7-8,19H,1-2,6H2", + "name": "Eudistomin H", + "names": [ + "Eudistomin H" + ] + }, + { + "compound_id": "C17169", + "inchi": "InChI=1S/C11H7BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H", + "name": "Eudistomin N", + "names": [ + "Eudistomin N" + ] + }, + { + "compound_id": "C17202", + "inchi": null, + "name": "S-Palmitoylprotein", + "names": [ + "Protein S-palmitoyl-L-cysteine", + "S-Palmitoylprotein" + ] + }, + { + "compound_id": "C17203", + "inchi": "InChI=1S/C10H12N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-13H,5-6H2", + "name": "N-Hydroxyl-tryptamine", + "names": [ + "N-Hydroxyl-tryptamine" + ] + }, + { + "compound_id": "C17204", + "inchi": "InChI=1S/C10H10N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2,(H,13,14)", + "name": "Indole-3-acetaldoxime N-oxide", + "names": [ + "IAOx N-oxide", + "Indole-3-acetaldoxime N-oxide" + ] + }, + { + "compound_id": "C17205", + "inchi": "InChI=1S/C3H6O6S/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H,6,7,8)/t2-/m1/s1", + "name": "(R)-2-O-Sulfolactate", + "names": [ + "(R)-2-O-Sulfolactate" + ] + }, + { + "compound_id": "C17206", + "inchi": "InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)", + "name": "Uracil 5-carbaldehyde", + "names": [ + "5-Formyluracil", + "Uracil 5-carbaldehyde" + ] + }, + { + "compound_id": "C17207", + "inchi": "", + "name": "1,4-beta-D-Mannooligosaccharide", + "names": [ + "1,4-beta-D-Mannooligosaccharide" + ] + }, + { + "compound_id": "C17209", + "inchi": "InChI=1S/C6H10O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-7,9-11H,1H2/t2-,4+,5-,6-/m1/s1", + "name": "2-Deoxy-scyllo-inosose", + "names": [ + "2-Deoxy-scyllo-inosose", + "2-Deoxyinosose" + ] + }, + { + "compound_id": "C17210", + "inchi": "InChI=1S/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)", + "name": "2-(2'-Methylthio)ethylmalic acid", + "names": [ + "2-(2'-Methylthio)ethylmalate", + "2-(2'-Methylthio)ethylmalic acid" + ] + }, + { + "compound_id": "C17211", + "inchi": "InChI=1S/C6H10O3S/c1-10-4-2-3-5(7)6(8)9/h2-4H2,1H3,(H,8,9)", + "name": "2-Oxo-5-methylthiopentanoic acid", + "names": [ + "2-Oxo-5-methylthiopentanoic acid", + "5-(Methylthio)-2-oxo-pentanoic acid" + ] + }, + { + "compound_id": "C17212", + "inchi": "InChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)", + "name": "3-(2'-Methylthio)ethylmalic acid", + "names": [ + "3-(2'-Methylthio)ethylmalate", + "3-(2'-Methylthio)ethylmalic acid" + ] + }, + { + "compound_id": "C17213", + "inchi": "InChI=1S/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)", + "name": "Homomethionine", + "names": [ + "Homomethionine" + ] + }, + { + "compound_id": "C17214", + "inchi": "InChI=1S/C8H14O5S/c1-14-4-2-3-8(13,7(11)12)5-6(9)10/h13H,2-5H2,1H3,(H,9,10)(H,11,12)", + "name": "2-(3'-Methylthio)propylmalic acid", + "names": [ + "2-(3'-Methylthio)propylmalate", + "2-(3'-Methylthio)propylmalic acid" + ] + }, + { + "compound_id": "C17215", + "inchi": "InChI=1S/C8H14O5S/c1-14-4-2-3-5(7(10)11)6(9)8(12)13/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)", + "name": "3-(3'-Methylthio)propylmalic acid", + "names": [ + "3-(3'-Methylthio)propylmalate", + "3-(3'-Methylthio)propylmalic acid" + ] + }, + { + "compound_id": "C17216", + "inchi": "InChI=1S/C7H12O3S/c1-11-5-3-2-4-6(8)7(9)10/h2-5H2,1H3,(H,9,10)", + "name": "2-Oxo-6-methylthiohexanoic acid", + "names": [ + "2-Oxo-6-methylthiohexanoic acid", + "6-(Methylthio)-2-oxo-hexanoic acid" + ] + }, + { + "compound_id": "C17217", + "inchi": "InChI=1S/C7H15NO2S/c1-11-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)", + "name": "Dihomomethionine", + "names": [ + "Dihomomethionine" + ] + }, + { + "compound_id": "C17218", + "inchi": "InChI=1S/C9H16O5S/c1-15-5-3-2-4-9(14,8(12)13)6-7(10)11/h14H,2-6H2,1H3,(H,10,11)(H,12,13)", + "name": "2-(4'-Methylthio)butylmalic acid", + "names": [ + "2-(4'-Methylthio)butylmalate", + "2-(4'-Methylthio)butylmalic acid" + ] + }, + { + "compound_id": "C17219", + "inchi": "InChI=1S/C9H16O5S/c1-15-5-3-2-4-6(8(11)12)7(10)9(13)14/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)", + "name": "3-(4'-Methylthio)butylmalic acid", + "names": [ + "3-(4'-Methylthio)butylmalate", + "3-(4'-Methylthio)butylmalic acid" + ] + }, + { + "compound_id": "C17220", + "inchi": "InChI=1S/C8H14O3S/c1-12-6-4-2-3-5-7(9)8(10)11/h2-6H2,1H3,(H,10,11)", + "name": "2-Oxo-7-methylthioheptanoic acid", + "names": [ + "2-Oxo-7-methylthioheptanoic acid", + "7-(Methylthio)-2-oxo-heptanoic acid" + ] + }, + { + "compound_id": "C17221", + "inchi": "InChI=1S/C8H17NO2S/c1-12-6-4-2-3-5-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)", + "name": "Trihomomethionine", + "names": [ + "2-Amino-7-(methylsulfanyl)heptanoic acid", + "Trihomomethionine" + ] + }, + { + "compound_id": "C17222", + "inchi": "InChI=1S/C10H18O5S/c1-16-6-4-2-3-5-10(15,9(13)14)7-8(11)12/h15H,2-7H2,1H3,(H,11,12)(H,13,14)", + "name": "2-(5'-Methylthio)pentylmalic acid", + "names": [ + "2-(5'-Methylthio)pentylmalate", + "2-(5'-Methylthio)pentylmalic acid" + ] + }, + { + "compound_id": "C17223", + "inchi": "InChI=1S/C10H18O5S/c1-16-6-4-2-3-5-7(9(12)13)8(11)10(14)15/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)", + "name": "3-(5'-Methylthio)pentylmalic acid", + "names": [ + "3-(5'-Methylthio)pentylmalate", + "3-(5'-Methylthio)pentylmalic acid" + ] + }, + { + "compound_id": "C17224", + "inchi": "InChI=1S/C9H16O3S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h2-7H2,1H3,(H,11,12)", + "name": "2-Oxo-8-methylthiooctanoic acid", + "names": [ + "2-Oxo-8-methylthiooctanoic acid", + "8-Methylthio-2-octanoic acid" + ] + }, + { + "compound_id": "C17225", + "inchi": "InChI=1S/C9H19NO2S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)", + "name": "Tetrahomomethionine", + "names": [ + "Tetrahomomethionine" + ] + }, + { + "compound_id": "C17226", + "inchi": "InChI=1S/C11H20O5S/c1-17-7-5-3-2-4-6-11(16,10(14)15)8-9(12)13/h16H,2-8H2,1H3,(H,12,13)(H,14,15)", + "name": "2-(6'-Methylthio)hexylmalic acid", + "names": [ + "2-(6'-Methylthio)hexylmalate", + "2-(6'-Methylthio)hexylmalic acid" + ] + }, + { + "compound_id": "C17227", + "inchi": "InChI=1S/C11H20O5S/c1-17-7-5-3-2-4-6-8(10(13)14)9(12)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)", + "name": "3-(6'-Methylthio)hexylmalic acid", + "names": [ + "3-(6'-Methylthio)hexylmalate", + "3-(6'-Methylthio)hexylmalic acid" + ] + }, + { + "compound_id": "C17228", + "inchi": "InChI=1S/C10H18O3S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h2-8H2,1H3,(H,12,13)", + "name": "2-Oxo-9-methylthiononanoic acid", + "names": [ + "2-Oxo-9-methylthiononanoic acid", + "9-Methylthio-2-nonanoic acid" + ] + }, + { + "compound_id": "C17229", + "inchi": "InChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)", + "name": "Pentahomomethionine", + "names": [ + "Pentahomomethionine" + ] + }, + { + "compound_id": "C17230", + "inchi": "InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)", + "name": "2-(7'-Methylthio)heptylmalic acid", + "names": [ + "2-(7'-Methylthio)heptylmalate", + "2-(7'-Methylthio)heptylmalic acid" + ] + }, + { + "compound_id": "C17231", + "inchi": "InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)", + "name": "3-(7'-Methylthio)heptylmalic acid", + "names": [ + "3-(7'-Methylthio)heptylmalate", + "3-(7'-Methylthio)heptylmalic acid" + ] + }, + { + "compound_id": "C17232", + "inchi": "InChI=1S/C11H20O3S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h2-9H2,1H3,(H,13,14)", + "name": "2-Oxo-10-methylthiodecanoic acid", + "names": [ + "10-Methylthio-2-decanoic acid", + "2-Oxo-10-methylthiodecanoic acid" + ] + }, + { + "compound_id": "C17233", + "inchi": "InChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)", + "name": "Hexahomomethionine", + "names": [ + "Hexahomomethionine" + ] + }, + { + "compound_id": "C17234", + "inchi": "InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-", + "name": "2-Aminobut-2-enoate", + "names": [ + "(2Z)-2-aminobut-2-enoic acid", + "2-Aminobut-2-enoate", + "2-Ammoniobut-2-enoate" + ] + }, + { + "compound_id": "C17235", + "inchi": "InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1", + "name": "L-Homophenylalanine", + "names": [ + "L-Homophenylalanine" + ] + }, + { + "compound_id": "C17236", + "inchi": "InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+", + "name": "3-Phenylpropionaldoxim", + "names": [ + "3-Phenylpropionaldoxim" + ] + }, + { + "compound_id": "C17237", + "inchi": "InChI=1S/C11H14N2O3S/c12-9(11(14)15)7-17-10(13-16)6-8-4-2-1-3-5-8/h1-5,9,16H,6-7,12H2,(H,14,15)/b13-10-/t9-/m0/s1", + "name": "S-(Phenylacetothiohydroximoyl)-L-cysteine", + "names": [ + "S-(Phenylacetothiohydroximoyl)-L-cysteine" + ] + }, + { + "compound_id": "C17238", + "inchi": "InChI=1S/C11H14N2O4S/c12-9(11(15)16)6-18-10(13-17)5-7-1-3-8(14)4-2-7/h1-4,9,14,17H,5-6,12H2,(H,15,16)/b13-10-/t9-/m0/s1", + "name": "S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine", + "names": [ + "S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine" + ] + }, + { + "compound_id": "C17239", + "inchi": "InChI=1S/C8H9NO2S/c10-7-3-1-6(2-4-7)5-8(12)9-11/h1-4,10-11H,5H2,(H,9,12)", + "name": "p-Hydroxyphenylacetothiohydroximate", + "names": [ + "p-Hydroxyphenylacetothiohydroximate" + ] + }, + { + "compound_id": "C17240", + "inchi": "InChI=1S/C14H19NO7S/c16-6-9-11(18)12(19)13(20)14(22-9)23-10(15-21)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-21H,5-6H2/b15-10-/t9-,11-,12+,13-,14+/m1/s1", + "name": "p-Hydroxybenzyldesulphoglucosinolate", + "names": [ + "Desulfo-p-hydroxybenzylglucosinolate", + "p-Hydroxybenzyldesulphoglucosinolate" + ] + }, + { + "compound_id": "C17241", + "inchi": "InChI=1S/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3/b6-4+", + "name": "4-Methylthiobutanaldoxime", + "names": [ + "4-Methylthiobutanaldoxime" + ] + }, + { + "compound_id": "C17242", + "inchi": "InChI=1S/C8H16N2O3S2/c1-14-4-2-3-7(10-13)15-5-6(9)8(11)12/h6,13H,2-5,9H2,1H3,(H,11,12)/b10-7-/t6-/m0/s1", + "name": "S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine", + "names": [ + "S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine" + ] + }, + { + "compound_id": "C17243", + "inchi": "InChI=1S/C5H11NOS2/c1-9-4-2-3-5(8)6-7/h7H,2-4H2,1H3,(H,6,8)", + "name": "4-Methylthiobutylthiohydroximate", + "names": [ + "4-Methylthiobutylthiohydroximate" + ] + }, + { + "compound_id": "C17244", + "inchi": "InChI=1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7-/t6-,8-,9+,10-,11+/m1/s1", + "name": "3-Methylthiopropyl-desulfoglucosinolate", + "names": [ + "3-Methylthiopropyl-desulfoglucosinolate" + ] + }, + { + "compound_id": "C17245", + "inchi": "InChI=1S/C6H13NOS/c1-9-6-4-2-3-5-7-8/h5,8H,2-4,6H2,1H3/b7-5+", + "name": "5-Methylthiopentanaldoxime", + "names": [ + "5-Methylthiopentanaldoxime" + ] + }, + { + "compound_id": "C17246", + "inchi": "InChI=1S/C7H15NOS/c1-10-7-5-3-2-4-6-8-9/h6,9H,2-5,7H2,1H3/b8-6+", + "name": "6-Methylthiohexanaldoxime", + "names": [ + "6-Methylthiohexanaldoxime" + ] + }, + { + "compound_id": "C17248", + "inchi": "InChI=1S/C12H23NO6S2/c1-20-5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)19-12/h7,9-12,14-18H,2-6H2,1H3/b13-8-/t7-,9-,10+,11-,12+/m1/s1", + "name": "4-Methylthiobutyl-desulfoglucosinolate", + "names": [ + "4-Methylthiobutyl-desulfoglucosinolate" + ] + }, + { + "compound_id": "C17249", + "inchi": "InChI=1S/C8H17NOS/c1-11-8-6-4-2-3-5-7-9-10/h7,10H,2-6,8H2,1H3/b9-7+", + "name": "7-Methylthioheptanaldoxime", + "names": [ + "7-(Methylsulfanyl)heptanal oxime", + "7-Methylthioheptanaldoxime" + ] + }, + { + "compound_id": "C17250", + "inchi": "InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/t9-,11-,12+,13-,14+/m1/s1", + "name": "Glucolesquerellin", + "names": [ + "6-Methylthiohexyl glucosinolate", + "Glucolesquerellin" + ] + }, + { + "compound_id": "C17251", + "inchi": "InChI=1S/C9H19NOS/c1-12-9-7-5-3-2-4-6-8-10-11/h8,11H,2-7,9H2,1H3/b10-8+", + "name": "8-Methylthiooctanaldoxime", + "names": [ + "8-Methylthiooctanaldoxime" + ] + }, + { + "compound_id": "C17252", + "inchi": "InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", + "name": "7-Methylthioheptyl glucosinolate", + "names": [ + "7-Methylthioheptyl glucosinolate" + ] + }, + { + "compound_id": "C17253", + "inchi": "InChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3/b11-9+", + "name": "9-Methylthiononanaldoxime", + "names": [ + "9-Methylthiononanaldoxime" + ] + }, + { + "compound_id": "C17254", + "inchi": "InChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)/t11-,13-,14+,15-,16+/m1/s1", + "name": "8-Methylthiooctyl glucosinolate", + "names": [ + "8-Methylthiooctyl glucosinolate" + ] + }, + { + "compound_id": "C17255", + "inchi": "InChI=1S/C5H11NO/c1-5(2)3-4-6-7/h4-5,7H,3H2,1-2H3/b6-4+", + "name": "3-Methylbutyraldehyde oxime", + "names": [ + "3-Methylbutyraldehyde oxime" + ] + }, + { + "compound_id": "C17256", + "inchi": "InChI=1S/C11H21NO9S2/c1-5(2)3-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(4-13)20-11/h5-6,8-11,13-16H,3-4H2,1-2H3,(H,17,18,19)/t6-,8-,9+,10-,11+/m1/s1", + "name": "2-Methylpropyl glucosinolate", + "names": [ + "2-Methylpropyl glucosinolate", + "Isobutyl glucosinolate" + ] + }, + { + "compound_id": "C17257", + "inchi": "InChI=1S/C12H23NO9S2/c1-3-6(2)4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/t6?,7-,9-,10+,11-,12+/m1/s1", + "name": "2-Methylbutyl glucosinolate", + "names": [ + "2-Methylbutyl glucosinolate" + ] + }, + { + "compound_id": "C17258", + "inchi": "InChI=1S/2Ca.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+2;;;/p-4", + "name": "Calcium sulfate hemihydrate", + "names": [ + "Calcium sulfate hemihydrate" + ] + }, + { + "compound_id": "C17259", + "inchi": null, + "name": "desulfo-Glucosinolate", + "names": [ + "Desulfoglucosinolate", + "desulfo-Glucosinolate" + ] + }, + { + "compound_id": "C17260", + "inchi": null, + "name": "Glucosinolate", + "names": [ + "Glucosinolate" + ] + }, + { + "compound_id": "C17261", + "inchi": null, + "name": "Thiohydroximic acid", + "names": [ + "Thiohydroximate", + "Thiohydroximic acid" + ] + }, + { + "compound_id": "C17262", + "inchi": null, + "name": "S-Alkyl-thiohydroximate", + "names": [ + "S-(2-Amino-2-carboxyethyl)-thiohydroximate", + "S-Alkyl-thiohydroximate", + "S-Thiohydroximoyl-L-cysteine" + ] + }, + { + "compound_id": "C17263", + "inchi": null, + "name": "2-Alkylmalic acid", + "names": [ + "2-Alkylmalic acid" + ] + }, + { + "compound_id": "C17264", + "inchi": null, + "name": "3-Alkylmalic acid", + "names": [ + "3-Alkylmalic acid" + ] + }, + { + "compound_id": "C17265", + "inchi": null, + "name": "Aliphatic oxo acid", + "names": [ + "2-Oxo acid with one additional methylene group", + "Aliphatic oxo acid" + ] + }, + { + "compound_id": "C17266", + "inchi": null, + "name": "Homoamino acid", + "names": [ + "Homoamino acid" + ] + }, + { + "compound_id": "C17267", + "inchi": "InChI=1S/C10H17N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", + "name": "S-Sulfanylglutathione", + "names": [ + "S-Sulfanylglutathione" + ] + }, + { + "compound_id": "C17268", + "inchi": "InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3", + "name": "Pyruvophenone", + "names": [ + "1-Phenyl-1,2-propanedione", + "Pyruvophenone" + ] + }, + { + "compound_id": "C17271", + "inchi": "InChI=1S/C16H31NO10S3/c1-29(22)9-7-5-3-2-4-6-8-12(17-27-30(23,24)25)28-16-15(21)14(20)13(19)11(10-18)26-16/h11,13-16,18-21H,2-10H2,1H3,(H,23,24,25)/t11-,13-,14+,15-,16+,29?/m1/s1", + "name": "Glucohirsutin", + "names": [ + "8-Methylsulfinyloctyl glucosinolate", + "Glucohirsutin" + ] + }, + { + "compound_id": "C17272", + "inchi": "InChI=1S/C17H33NO10S3/c1-30(23)10-8-6-4-2-3-5-7-9-13(18-28-31(24,25)26)29-17-16(22)15(21)14(20)12(11-19)27-17/h12,14-17,19-22H,2-11H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+,30?/m1/s1", + "name": "Glucoarabin", + "names": [ + "9-Methylsulfinylnonyl glucosinolate", + "Glucoarabin" + ] + }, + { + "compound_id": "C17273", + "inchi": "InChI=1S/C15H21NO10S2/c1-24-9-4-2-8(3-5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1", + "name": "Glucoaubrietin", + "names": [ + "4-Methoxybenzyl glucosinolate", + "Glucoaubrietin" + ] + }, + { + "compound_id": "C17274", + "inchi": "InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/t9?,10-,12-,13+,14-,15+/m1/s1", + "name": "Glucobarbarin", + "names": [ + "2(R)-Hydroxy-2-phenylethyl glucosinolate", + "Glucobarbarin" + ] + }, + { + "compound_id": "C17275", + "inchi": "InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/t4?,5-,6-,7+,8-,10+/m1/s1", + "name": "Glucosisymbrin", + "names": [ + "1-Methyl-2-hydroxyetyl glucosinolate", + "Glucosisymbrin" + ] + }, + { + "compound_id": "C17276", + "inchi": "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+", + "name": "Retinol-(cellular-retinol-binding-protein)", + "names": [ + "Retinol-(cellular-retinol-binding-protein)" + ] + }, + { + "compound_id": "C17277", + "inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1", + "name": "(+)-Valencene", + "names": [ + "(+)-Valencene" + ] + }, + { + "compound_id": "C17302", + "inchi": "InChI=1S/C21H25ClO3/c1-4-24-20(23)19(22)14-16-10-12-18(13-11-16)25-15-21(2,3)17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3", + "name": "AL-294", + "names": [ + "AL-294", + "Ethyl 2-chloro-3-(4-(2-methyl-2-phenylpropoxy)phenyl)propanoate" + ] + }, + { + "compound_id": "C17303", + "inchi": "InChI=1S/C20H21NO3S/c1-20(2,15-6-4-3-5-7-15)13-24-16-10-8-14(9-11-16)12-17-18(22)21-19(23)25-17/h3-11,17H,12-13H2,1-2H3,(H,21,22,23)", + "name": "AL-321", + "names": [ + "5-(4-(2-Methyl-2-phenylpropoxy)benzyl)thiazolidine-2,4-dione", + "AL-321" + ] + }, + { + "compound_id": "C17309", + "inchi": "InChI=1S/C20H27N3O5/c24-18-15(8-4-12-22-13-5-9-17(20(27)28)23(18)22)21-16(19(25)26)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,25,26)(H,27,28)/t15-,16-,17-/m0/s1", + "name": "Cilazaprilat", + "names": [ + "(1S,9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4,6,7,8,9,10-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid", + "Cilazaprilat" + ] + }, + { + "compound_id": "C17322", + "inchi": null, + "name": "tRNA containing 2-thiouridine", + "names": [ + "tRNA containing 2-thiouridine", + "tRNA containing s2U" + ] + }, + { + "compound_id": "C17323", + "inchi": null, + "name": "tRNA containing 5-carboxymethylaminomethyl-2-thiouridine", + "names": [ + "tRNA containing 5-carboxymethylaminomethyl-2-thiouridine", + "tRNA containing cnm5s2U" + ] + }, + { + "compound_id": "C17324", + "inchi": null, + "name": "tRNA adenine", + "names": [ + "tRNA adenine" + ] + }, + { + "compound_id": "C17325", + "inchi": null, + "name": "tRNA cytosine", + "names": [ + "tRNA cytosine" + ] + }, + { + "compound_id": "C17326", + "inchi": "InChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8+,9+,11+,12+,13+,14+/m0/s1", + "name": "CDP-4-dehydro-3,6-dideoxy-D-glucose epimer", + "names": [ + "CDP-4-dehydro-3,6-dideoxy-D-glucose epimer" + ] + }, + { + "compound_id": "C17327", + "inchi": "InChI=1S/C15H25N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,7+,8+,9+,11+,12+,13+,14+/m0/s1", + "name": "CDP-ascarylose", + "names": [ + "CDP-ascarylose" + ] + }, + { + "compound_id": "C17328", + "inchi": "InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,9+,10+,11+,12+,13?,14+/m0/s1", + "name": "UDP-4-keto-rhamnose", + "names": [ + "UDP-4-keto-rhamnose" + ] + }, + { + "compound_id": "C17331", + "inchi": "InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1", + "name": "7alpha,24-Dihydroxy-4-cholesten-3-one", + "names": [ + "7alpha,24-Dihydroxy-4-cholesten-3-one" + ] + }, + { + "compound_id": "C17332", + "inchi": "InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20-,21+,22+,23-,24+,26+,27-/m1/s1", + "name": "7alpha,25-Dihydroxy-4-cholesten-3-one", + "names": [ + "7alpha,25-Dihydroxy-4-cholesten-3-one" + ] + }, + { + "compound_id": "C17333", + "inchi": "InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1", + "name": "3beta-Hydroxy-5-cholestenoate", + "names": [ + "3beta-Hydroxy-5-cholestenoate", + "3beta-Hydroxycholest-5-en-27-oic acid" + ] + }, + { + "compound_id": "C17335", + "inchi": "InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1", + "name": "3beta,7alpha-Dihydroxy-5-cholestenoate", + "names": [ + "3beta,7alpha-Dihydroxy-5-cholesten-26-oic acid", + "3beta,7alpha-Dihydroxy-5-cholestenoate" + ] + }, + { + "compound_id": "C17336", + "inchi": "InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1", + "name": "7alpha,26-Dihydroxy-4-cholesten-3-one", + "names": [ + "7alpha,26-Dihydroxy-4-cholesten-3-one" + ] + }, + { + "compound_id": "C17337", + "inchi": "InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1", + "name": "7alpha-Hydroxy-3-oxo-4-cholestenoate", + "names": [ + "7alpha-Hydroxy-3-oxo-4-cholestenoate" + ] + }, + { + "compound_id": "C17339", + "inchi": "InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "4-Cholesten-7alpha,12alpha-diol-3-one", + "names": [ + "4-Cholesten-7alpha,12alpha-diol-3-one", + "7alpha,12alpha-Dihydroxy-4-cholesten-3-one" + ] + }, + { + "compound_id": "C17343", + "inchi": "InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40?,44-,47+,48-/m1/s1", + "name": "(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA", + "names": [ + "(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA" + ] + }, + { + "compound_id": "C17345", + "inchi": "InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40?,44-,47+,48-/m1/s1", + "name": "(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA", + "names": [ + "(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA" + ] + }, + { + "compound_id": "C17346", + "inchi": "InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27+,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40?,44-,47+,48-/m1/s1", + "name": "(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA", + "names": [ + "(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA" + ] + }, + { + "compound_id": "C17349", + "inchi": "InChI=1/CH5N3/c2-1(3)4/h(H5,2,3,4)/f/h2H,3-4H2", + "name": "Guanidine", + "names": [ + "Guanidine" + ] + }, + { + "compound_id": "C17350", + "inchi": "InChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18+/t16-,17+,19-/m1/s1", + "name": "Nocardicin B", + "names": [ + "Nocardicin B" + ] + }, + { + "compound_id": "C17351", + "inchi": "InChI=1S/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)/t16-,17+,18-,19-/m1/s1", + "name": "Nocardicin C", + "names": [ + "Nocardicin C" + ] + }, + { + "compound_id": "C17352", + "inchi": "InChI=1S/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)/t16-,17-,18+,19+/m0/s1", + "name": "Isonocardicin C", + "names": [ + "Isonocardicin C" + ] + }, + { + "compound_id": "C17353", + "inchi": "InChI=1S/C23H23N3O9/c24-16(22(31)32)9-10-35-15-7-3-13(4-8-15)19(28)20(29)25-17-11-26(21(17)30)18(23(33)34)12-1-5-14(27)6-2-12/h1-8,16-18,27H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/t16-,17+,18-/m1/s1", + "name": "Nocardicin D", + "names": [ + "Nocardicin D" + ] + }, + { + "compound_id": "C17354", + "inchi": "InChI=1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)/b21-15+/t14-,16+/m0/s1", + "name": "Nocardicin F", + "names": [ + "Nocardicin F" + ] + }, + { + "compound_id": "C17355", + "inchi": "InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15+,16+/m0/s1", + "name": "Nocardicin G", + "names": [ + "Nocardicin G" + ] + }, + { + "compound_id": "C17356", + "inchi": "InChI=1S/C7H9NO4/c9-4-11-3-5-2-8-6(10)1-7(8)12-5/h4-5,7H,1-3H2/t5-,7+/m1/s1", + "name": "2-Formyloxymethylclavam", + "names": [ + "2-Formyloxymethylclavam" + ] + }, + { + "compound_id": "C17357", + "inchi": "InChI=1S/C6H9NO3/c8-3-4-2-7-5(9)1-6(7)10-4/h4,6,8H,1-3H2/t4-,6+/m1/s1", + "name": "2-Hydroxymethylclavam", + "names": [ + "2-Hydroxymethylclavam" + ] + }, + { + "compound_id": "C17358", + "inchi": "InChI=1S/C6H7NO4/c8-4-1-5-7(4)2-3(11-5)6(9)10/h3,5H,1-2H2,(H,9,10)/t3-,5+/m1/s1", + "name": "Clavam-2-carboxylate", + "names": [ + "Clavam-2-carboxylate" + ] + }, + { + "compound_id": "C17359", + "inchi": "InChI=1S/C8H12N2O5/c9-6(8(13)14)7(12)3-2-10-4(11)1-5(10)15-3/h3,5-7,12H,1-2,9H2,(H,13,14)/t3-,5+,6+,7-/m1/s1", + "name": "8-Hydroxyalanylclavam", + "names": [ + "8-Hydroxyalanylclavam" + ] + }, + { + "compound_id": "C17360", + "inchi": "InChI=1S/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4-,5-,7-/m0/s1", + "name": "Alanylclavam", + "names": [ + "Alanylclavam" + ] + }, + { + "compound_id": "C17361", + "inchi": "InChI=1S/C7H11NO3/c9-2-1-5-4-8-6(10)3-7(8)11-5/h5,7,9H,1-4H2/t5-,7-/m0/s1", + "name": "2-Hydroxyethylclavam", + "names": [ + "2-Hydroxyethylclavam", + "Hydroxyethylclavam" + ] + }, + { + "compound_id": "C17362", + "inchi": "InChI=1S/C13H22N4O8/c14-2-4(18)10(20)9(13(23)24)16-12(22)8(15)11(21)5-3-17-6(19)1-7(17)25-5/h4-5,7-11,18,20-21H,1-3,14-15H2,(H,16,22)(H,23,24)/t4-,5-,7+,8-,9-,10?,11+/m1/s1", + "name": "Clavamycin B", + "names": [ + "Clavamycin B" + ] + }, + { + "compound_id": "C17363", + "inchi": "InChI=1S/C13H22N4O8/c14-2-4(18)10(20)8(15)12(22)16-9(13(23)24)11(21)5-3-17-6(19)1-7(17)25-5/h4-5,7-11,18,20-21H,1-3,14-15H2,(H,16,22)(H,23,24)/t4?,5-,7+,8+,9+,10?,11+/m1/s1", + "name": "Clavamycin C", + "names": [ + "Clavamycin C" + ] + }, + { + "compound_id": "C17364", + "inchi": "InChI=1S/C13H21N3O6/c1-5(2)9(14)12(19)15-10(13(20)21)11(18)6-4-16-7(17)3-8(16)22-6/h5-6,8-11,18H,3-4,14H2,1-2H3,(H,15,19)(H,20,21)/t6-,8+,9+,10+,11+/m1/s1", + "name": "Clavamycin D", + "names": [ + "Clavamycin D" + ] + }, + { + "compound_id": "C17365", + "inchi": "InChI=1S/C11H17N3O6/c1-4(12)10(17)13-8(11(18)19)9(16)5-3-14-6(15)2-7(14)20-5/h4-5,7-9,16H,2-3,12H2,1H3,(H,13,17)(H,18,19)/t4-,5+,7-,8-,9-/m0/s1", + "name": "Clavamycin E", + "names": [ + "Clavamycin E" + ] + }, + { + "compound_id": "C17366", + "inchi": "InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1", + "name": "(2S,5S)-trans-Carboxymethylproline", + "names": [ + "(2S,5S)-trans-Carboxymethylproline" + ] + }, + { + "compound_id": "C17367", + "inchi": "InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1", + "name": "(3S,5S)-Carbapenam-3-carboxylic acid", + "names": [ + "(3S,5S)-Carbapenam-3-carboxylate", + "(3S,5S)-Carbapenam-3-carboxylic acid" + ] + }, + { + "compound_id": "C17368", + "inchi": "InChI=1S/C11H16N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h6-7H,2-5,12H2,1H3,(H,15,16)/t6-,7-/m1/s1", + "name": "NS-5", + "names": [ + "8-Dehydroxythienamycin", + "8-Deshydroxythienamycin", + "Deshydroxythienamycin", + "NS-5" + ] + }, + { + "compound_id": "C17369", + "inchi": "InChI=1S/C10H14N2O4S/c11-1-2-17-7-3-6-5(4-13)9(14)12(6)8(7)10(15)16/h5-6,13H,1-4,11H2,(H,15,16)/t5-,6-/m1/s1", + "name": "Northienamycin", + "names": [ + "Northienamycin" + ] + }, + { + "compound_id": "C17370", + "inchi": "InChI=1S/C13H18N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h8-9H,3-6H2,1-2H3,(H,14,16)(H,18,19)/t8-,9-/m1/s1", + "name": "PS-5", + "names": [ + "Antibiotic PS 5", + "PS-5" + ] + }, + { + "compound_id": "C17371", + "inchi": "InChI=1S/C14H20N2O4S/c1-7(2)11-9-6-10(21-5-4-15-8(3)17)12(14(19)20)16(9)13(11)18/h7,9,11H,4-6H2,1-3H3,(H,15,17)(H,19,20)/t9-,11-/m1/s1", + "name": "PS-6", + "names": [ + "Antibiotic PS 6", + "PS-6" + ] + }, + { + "compound_id": "C17372", + "inchi": "InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8+,10-/m0/s1", + "name": "Epithienamycin A", + "names": [ + "Epithienamycin A" + ] + }, + { + "compound_id": "C17373", + "inchi": "InChI=1S/C20H31N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-11,14,16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10-,11+,14-,16-/m0/s1", + "name": "OA-6129 B1", + "names": [ + "OA-6129 B1" + ] + }, + { + "compound_id": "C17374", + "inchi": "InChI=1S/C20H31N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-11,14,16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10-,11+,14+,16-/m0/s1", + "name": "OA-6129 B2", + "names": [ + "OA-6129 B2" + ] + }, + { + "compound_id": "C17375", + "inchi": "InChI=1S/C20H33N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-12,14-16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10?,11-,12+,14+,15-,16+/m1/s1", + "name": "OA-6129 D", + "names": [ + "OA-6129 D" + ] + }, + { + "compound_id": "C17376", + "inchi": "InChI=1S/C21H35N3O8S/c1-20(2,10-25)16(27)17(28)23-6-5-13(26)22-7-8-33-12-9-11-14(21(3,4)32)18(29)24(11)15(12)19(30)31/h11-12,14-16,25,27,32H,5-10H2,1-4H3,(H,22,26)(H,23,28)(H,30,31)/t11-,12+,14+,15-,16+/m1/s1", + "name": "OA-6129 E", + "names": [ + "OA-6129 E" + ] + }, + { + "compound_id": "C17377", + "inchi": "InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8-,10-/m1/s1", + "name": "N-Acetylthienamycin", + "names": [ + "N-Acetylthienamycin" + ] + }, + { + "compound_id": "C17378", + "inchi": null, + "name": "O-Acylpseudotropine", + "names": [ + "O-Acylpseudotropine" + ] + }, + { + "compound_id": "C17379", + "inchi": "InChI=1S/O.Pb/q-2;+2", + "name": "Lead oxide", + "names": [ + "Lead oxide" + ] + }, + { + "compound_id": "C17380", + "inchi": "InChI=1S/C18H19N3O2/c1-12-7-5-6-8-17(12)20-19-16-9-10-18(13(2)11-16)21(14(3)22)15(4)23/h5-11H,1-4H3/b20-19+", + "name": "Diacetylaminoazotoluene", + "names": [ + "Diacetylaminoazotoluene", + "Pellidole", + "Periphermine" + ] + }, + { + "compound_id": "C17381", + "inchi": null, + "name": "Dihydroxyaluminum", + "names": [ + "Dihydroxyaluminum" + ] + }, + { + "compound_id": "C17382", + "inchi": "InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2", + "name": "Ferrous lactate", + "names": [ + "Ferrous lactate" + ] + }, + { + "compound_id": "C17383", + "inchi": "InChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2", + "name": "Cobaltous sulfate", + "names": [ + "Cobaltous sulfate" + ] + }, + { + "compound_id": "C17384", + "inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3", + "name": "Citronellal", + "names": [ + "Citronellal" + ] + }, + { + "compound_id": "C17385", + "inchi": "InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3", + "name": "2-Methoxy-5-nitrophenol", + "names": [ + "2-Methoxy-5-nitrophenol", + "5-Nitroguaiacol" + ] + }, + { + "compound_id": "C17386", + "inchi": "InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3", + "name": "2-Methoxy-4-nitrophenol", + "names": [ + "2-Methoxy-4-nitrophenol", + "4-Nitroguaiacol" + ] + }, + { + "compound_id": "C17387", + "inchi": "InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1", + "name": "Cycleanine", + "names": [ + "Cycleanine" + ] + }, + { + "compound_id": "C17388", + "inchi": "InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2/t2*2-,3+,4+,5-;/m11./s1", + "name": "L-Galacturonic acid calcium salt", + "names": [ + "L-Galacturonic acid calcium salt" + ] + }, + { + "compound_id": "C17389", + "inchi": "InChI=1S/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2", + "name": "Zinc lactate", + "names": [ + "Zinc lactate" + ] + }, + { + "compound_id": "C17390", + "inchi": null, + "name": "Polybutene", + "names": [ + "Polybutene" + ] + }, + { + "compound_id": "C17391", + "inchi": "InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1", + "name": "Sakuranin", + "names": [ + "NSC 407308", + "Sakuranin" + ] + }, + { + "compound_id": "C17392", + "inchi": "InChI=1S/Ca.S/q+2;-2", + "name": "Calcium sulfide", + "names": [ + "Calcium sulfide" + ] + }, + { + "compound_id": "C17393", + "inchi": "InChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1", + "name": "Methyl hesperidin", + "names": [ + "Methyl hesperidin" + ] + }, + { + "compound_id": "C17394", + "inchi": "InChI=1S/C30H48O2/c1-25(2)22-9-8-21-20(28(22,5)12-11-24(25)32)10-13-30(7)23-18-26(3,19-31)14-15-27(23,4)16-17-29(21,30)6/h8,10,22-24,31-32H,9,11-19H2,1-7H3/t22-,23+,24+,26+,27+,28+,29+,30-/m0/s1", + "name": "Karounidiol", + "names": [ + "Karounidiol" + ] + }, + { + "compound_id": "C17395", + "inchi": "InChI=1S/C15H24N4O7/c1-7(20)17-4-2-3-8(16)14(23)18-12(15(24)25)13(22)9-6-19-10(21)5-11(19)26-9/h8-9,11-13,22H,2-6,16H2,1H3,(H,17,20)(H,18,23)(H,24,25)/t8-,9+,11-,12-,13-/m0/s1", + "name": "Clavamycin F", + "names": [ + "Clavamycin F" + ] + }, + { + "compound_id": "C17396", + "inchi": "InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10-/m0/s1", + "name": "Epithienamycin B", + "names": [ + "Epithienamycin B" + ] + }, + { + "compound_id": "C17397", + "inchi": "InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8+,10+/m0/s1", + "name": "Epithienamycin C", + "names": [ + "Epithienamycin C" + ] + }, + { + "compound_id": "C17398", + "inchi": "InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10+/m0/s1", + "name": "Epithienamycin D", + "names": [ + "Epithienamycin D" + ] + }, + { + "compound_id": "C17399", + "inchi": "InChI=1S/C13H18N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h6,8,10H,3-5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/t6-,8+,10-/m0/s1", + "name": "Epithienamycin F", + "names": [ + "Epithienamycin F" + ] + }, + { + "compound_id": "C17400", + "inchi": "InChI=1S/C14H16N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-,23?/m1/s1", + "name": "Asparenomycin A", + "names": [ + "Asparenomycin A" + ] + }, + { + "compound_id": "C17401", + "inchi": "InChI=1S/C43H48N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h14-16,24-25H,4-13,17-18H2,1-3H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/t24-,25-,42+,43+;/m1./s1", + "name": "Cobalt-factor III", + "names": [ + "Cobalt-factor III" + ] + }, + { + "compound_id": "C17402", + "inchi": "InChI=1S/C14H20N2O4S/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16/h5-6,9-10,12H,4,7H2,1-3H3,(H,15,17)(H,19,20)/b6-5+/t9-,10+,12-/m1/s1", + "name": "Penicillin F", + "names": [ + "2-Pentenylpenicillin", + "Penicillin F" + ] + }, + { + "compound_id": "C17403", + "inchi": "InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1", + "name": "Penicillin K", + "names": [ + "Penicillin A", + "Penicillin K" + ] + }, + { + "compound_id": "C17404", + "inchi": "InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1", + "name": "Penicillin X", + "names": [ + "Penicillin X" + ] + }, + { + "compound_id": "C17405", + "inchi": "InChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1", + "name": "Penicillin O", + "names": [ + "Penicillin O" + ] + }, + { + "compound_id": "C17409", + "inchi": "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1", + "name": "Chinese gallotannin", + "names": [ + "Chinese gallotannin" + ] + }, + { + "compound_id": "C17410", + "inchi": "InChI=1S/C57H92O28/c1-23-40(81-45-39(72)41(28(64)18-76-45)82-49-43(73)56(75,21-61)22-78-49)36(69)38(71)46(79-23)83-42-33(66)27(63)17-77-48(42)85-50(74)57-12-11-51(2,3)13-25(57)24-7-8-30-52(4)14-26(62)44(84-47-37(70)35(68)34(67)29(16-58)80-47)55(19-59,20-60)31(52)9-10-53(30,5)54(24,6)15-32(57)65/h7,23,25-49,58-73,75H,8-22H2,1-6H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41?,42?,43-,44-,45-,46?,47-,48-,49?,52+,53+,54+,56+,57+/m0/s1", + "name": "Platycodin D", + "names": [ + "Platycodin D" + ] + }, + { + "compound_id": "C17411", + "inchi": "InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3/t18-,21-,25-/m0/s1", + "name": "o-Methylpsychotrine", + "names": [ + "1',2'-Dehydroemetin", + "o-Methylpsychotrine" + ] + }, + { + "compound_id": "C17412", + "inchi": "InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1", + "name": "Shikonin", + "names": [ + "Shikonin" + ] + }, + { + "compound_id": "C17413", + "inchi": "InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3", + "name": "Acetylshikonin", + "names": [ + "Acetylshikonin" + ] + }, + { + "compound_id": "C17414", + "inchi": "InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1", + "name": "Isobutylshikonin", + "names": [ + "Isobutylshikonin", + "Isobutyrylshikonin" + ] + }, + { + "compound_id": "C17415", + "inchi": "InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1", + "name": "beta,beta-Dimethylacrylshikonin", + "names": [ + "Dmask", + "beta,beta-Dimethylacrylshikonin" + ] + }, + { + "compound_id": "C17416", + "inchi": "InChI=1S/C17H16O5/c1-19-13-6-5-10-12-8-21-14-7-9(18)3-4-11(14)15(12)22-16(10)17(13)20-2/h3-7,12,15,18H,8H2,1-2H3/t12-,15-/m0/s1", + "name": "Astrapterocarpan", + "names": [ + "Astrapterocarpan" + ] + }, + { + "compound_id": "C17417", + "inchi": "InChI=1S/C75H112O36/c1-31-53(105-44(82)14-11-33-21-39(96-8)56(98-10)40(22-33)97-9)50(88)58(109-64-52(90)57(108-66-59(91)75(95,29-78)30-101-66)54(32(2)102-64)106-62-51(89)55(38(81)27-100-62)107-61-48(86)45(83)37(80)26-99-61)65(103-31)111-68(94)73-18-17-69(3,4)23-35(73)34-12-13-42-70(5)24-36(79)60(110-63-49(87)47(85)46(84)41(25-76)104-63)72(7,67(92)93)43(70)15-16-71(42,6)74(34,28-77)20-19-73/h11-12,14,21-22,31-32,35-38,41-43,45-55,57-66,76-81,83-91,95H,13,15-20,23-30H2,1-10H3,(H,92,93)/b14-11+/t31-,32+,35+,36+,37+,38-,41-,42-,43-,45+,46-,47+,48-,49-,50+,51-,52-,53+,54?,55?,57+,58-,59+,60+,61?,62?,63+,64+,65+,66+,70-,71-,72+,73+,74+,75-/m1/s1", + "name": "Onjisaponin F", + "names": [ + "Onjisaponin F", + "Polygalasaponin XXXI" + ] + }, + { + "compound_id": "C17418", + "inchi": "InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m1/s1", + "name": "Genisteine", + "names": [ + "Genisteine", + "Genisteine-alkaloid", + "alpha-Isosparteine" + ] + }, + { + "compound_id": "C17419", + "inchi": "InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1", + "name": "Soyasapogenol A", + "names": [ + "Soyasapogenol A" + ] + }, + { + "compound_id": "C17420", + "inchi": "InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1", + "name": "Soyasapogenol E", + "names": [ + "Soyasapogenol E" + ] + }, + { + "compound_id": "C17421", + "inchi": "InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h21-24,31-33H,8-18H2,1-7H3/t21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1", + "name": "Soyasapogenol F", + "names": [ + "Soyasapogenol B1", + "Soyasapogenol F" + ] + }, + { + "compound_id": "C17422", + "inchi": "InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1", + "name": "Soyasapogenol C", + "names": [ + "Sapogenol C", + "Soyasapogenol C" + ] + }, + { + "compound_id": "C17423", + "inchi": "InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1", + "name": "Soyasapogenol D", + "names": [ + "Soyasapogenol D" + ] + }, + { + "compound_id": "C17424", + "inchi": "InChI=1S/C15H16O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10H,4-5H2,1-3H3/t9-,10-,15+/m1/s1", + "name": "Lindenenone", + "names": [ + "Lindenenone" + ] + }, + { + "compound_id": "C17425", + "inchi": "InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/b9-4-/t13-/m1/s1", + "name": "Linderalactone", + "names": [ + "Linderalactone" + ] + }, + { + "compound_id": "C17426", + "inchi": "InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1", + "name": "Dicentrine", + "names": [ + "Dicentrine" + ] + }, + { + "compound_id": "C17427", + "inchi": "InChI=1S/C15H26O2/c1-11(2)12-6-8-15(10-16)7-4-5-13(17)14(15,3)9-12/h11-12,16H,4-10H2,1-3H3/t12-,14+,15+/m1/s1", + "name": "Kanokonol", + "names": [ + "Kanokonol" + ] + }, + { + "compound_id": "C17428", + "inchi": "InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1", + "name": "Kanokoside A", + "names": [ + "Kanokoside A" + ] + }, + { + "compound_id": "C17429", + "inchi": "InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1", + "name": "Kanokoside B", + "names": [ + "Kanokoside B", + "Suspensolide F" + ] + }, + { + "compound_id": "C17430", + "inchi": "InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1", + "name": "Kanokoside C", + "names": [ + "Kanokoside C" + ] + }, + { + "compound_id": "C17431", + "inchi": "InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15-,16-,18+,19-,20-,21+,22+,23-,24-,25+,26-,27-/m1/s1", + "name": "Kanokoside D", + "names": [ + "Kanokoside D" + ] + }, + { + "compound_id": "C17432", + "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37+,50-39+", + "name": "all-trans-Decaprenyl diphosphate", + "names": [ + "all-trans-Decaprenyl diphosphate" + ] + }, + { + "compound_id": "C17433", + "inchi": "InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3", + "name": "Tricosane", + "names": [ + "Tricosane" + ] + }, + { + "compound_id": "C17434", + "inchi": "InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19-,29-21-,30-23-", + "name": "di-trans,poly-cis-Hexaprenyl diphosphate", + "names": [ + "di-trans,poly-cis-Hexaprenyl diphosphate", + "ditrans,tricis-Hexaprenyl diphosphate" + ] + }, + { + "compound_id": "C17435", + "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-", + "name": "di-trans,poly-cis-Pentaprenyl diphosphate", + "names": [ + "2-cis,6-cis,10-trans,14-trans-Geranylfarnesyl diphosphate", + "2-cis,6-cis,10-trans,14-trans-Pentaprenyl diphosphate", + "di-trans,poly-cis-Pentaprenyl diphosphate", + "ditrans,dicis-Pentaprenyl diphosphate" + ] + }, + { + "compound_id": "C17436", + "inchi": "InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21-,33-23-,34-25-,35-27-", + "name": "di-trans,poly-cis-Heptaprenyl diphosphate", + "names": [ + "di-trans,poly-cis-Heptaprenyl diphosphate", + "ditrans,tetracis-Heptaprenyl diphosphate" + ] + }, + { + "compound_id": "C17437", + "inchi": "InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23-,37-25-,38-27-,39-29-,40-31-", + "name": "di-trans,poly-cis-Octaprenyl diphosphate", + "names": [ + "di-trans,poly-cis-Octaprenyl diphosphate", + "ditrans,pentacis-Octaprenyl diphosphate" + ] + }, + { + "compound_id": "C17438", + "inchi": "InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25-,41-27-,42-29-,43-31-,44-33-,45-35-", + "name": "di-trans,poly-cis-Nonaprenyl diphosphate", + "names": [ + "di-trans,poly-cis-Nonaprenyl diphosphate", + "ditrans,hexacis-Nonaprenyl diphosphate" + ] + }, + { + "compound_id": "C17439", + "inchi": "InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,15,19H,6-8,10,12-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,20-15+", + "name": "Dihydrogeranylgeranyl diphosphate", + "names": [ + "Dihydrogeranylgeranyl diphosphate" + ] + }, + { + "compound_id": "C17440", + "inchi": "InChI=1S/C20H40O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,15,18-19H,6-8,10-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b20-15+", + "name": "Tetrahydrogeranylgeranyl diphosphate", + "names": [ + "Tetrahydrogeranylgeranyl diphosphate" + ] + }, + { + "compound_id": "C17441", + "inchi": "InChI=1S/C57H92O27/c1-23-40(80-45-39(71)41(28(63)19-75-45)81-49-43(72)56(74,21-60)22-77-49)36(68)38(70)46(78-23)82-42-33(65)27(62)18-76-48(42)84-50(73)57-13-12-51(2,3)14-25(57)24-8-9-31-52(4)15-26(61)44(83-47-37(69)35(67)34(66)29(17-58)79-47)53(5,20-59)30(52)10-11-54(31,6)55(24,7)16-32(57)64/h8,23,25-49,58-72,74H,9-22H2,1-7H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41?,42?,43-,44-,45-,46?,47-,48-,49?,52-,53+,54+,55+,56+,57+/m0/s1", + "name": "Polygalacin D", + "names": [ + "Polygalacin D" + ] + }, + { + "compound_id": "C17442", + "inchi": "InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13-,15-/m1/s1", + "name": "Isomatrine", + "names": [ + "Isomatrine" + ] + }, + { + "compound_id": "C17443", + "inchi": "InChI=1S/C59H94O29/c1-24-41(84-47-40(74)42(30(67)19-78-47)85-51-45(75)58(77,22-63)23-80-51)39(73)44(82-25(2)64)50(81-24)86-43-35(69)29(66)18-79-49(43)88-52(76)59-13-12-53(3,4)14-27(59)26-8-9-32-54(5)15-28(65)46(87-48-38(72)37(71)36(70)31(17-60)83-48)57(20-61,21-62)33(54)10-11-55(32,6)56(26,7)16-34(59)68/h8,24,27-51,60-63,65-75,77H,9-23H2,1-7H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42?,43?,44+,45-,46-,47-,48-,49-,50?,51?,54+,55+,56+,58+,59+/m0/s1", + "name": "Platycodin A", + "names": [ + "Platycodin A" + ] + }, + { + "compound_id": "C17444", + "inchi": "InChI=1S/C26H32O7/c1-14(2)15(8-9-26(3,4)31)10-18-20(29)12-23(32-5)24-21(30)13-22(33-25(18)24)17-7-6-16(27)11-19(17)28/h6-7,11-12,15,22,27-29,31H,1,8-10,13H2,2-5H3/t15-,22+/m1/s1", + "name": "Kurarinol", + "names": [ + "Kurarinol" + ] + }, + { + "compound_id": "C17445", + "inchi": "InChI=1S/C26H32O7/c1-15(2)17(10-11-26(3,4)32)12-19-22(30)14-23(33-5)24(25(19)31)20(28)9-7-16-6-8-18(27)13-21(16)29/h6-9,13-14,17,27,29-32H,1,10-12H2,2-5H3/b9-7+", + "name": "Kuraridinol", + "names": [ + "Kuraridinol" + ] + }, + { + "compound_id": "C17446", + "inchi": "InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1", + "name": "Kurarinone", + "names": [ + "Kurarinone" + ] + }, + { + "compound_id": "C17447", + "inchi": "InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1", + "name": "(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol", + "names": [ + "(+)-Falcarinol", + "(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol" + ] + }, + { + "compound_id": "C17449", + "inchi": "InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20?,21?/m0/s1", + "name": "Astilbin", + "names": [ + "Astilbin" + ] + }, + { + "compound_id": "C17450", + "inchi": "InChI=1S/C19H34O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,11-16,20-25H,5,7-8,10H2,1-4H3/b9-6+/t11-,12+,13+,14-,15+,16-,18+,19+/m0/s1", + "name": "Rehmaionoside A", + "names": [ + "Rehmaionoside A" + ] + }, + { + "compound_id": "C17451", + "inchi": "InChI=1S/C19H34O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,11-16,20-25H,5,7-8,10H2,1-4H3/b9-6+/t11-,12-,13-,14+,15-,16+,18-,19-/m1/s1", + "name": "Rehmaionoside B", + "names": [ + "Rehmaionoside B" + ] + }, + { + "compound_id": "C17452", + "inchi": "InChI=1S/C19H32O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,12-16,20,22-25H,5,7-8,10H2,1-4H3/b9-6+/t12-,13-,14+,15-,16+,18-,19-/m1/s1", + "name": "Rehmaionoside C", + "names": [ + "Rehmaionoside C" + ] + }, + { + "compound_id": "C17454", + "inchi": "InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1", + "name": "Paeonilactone A", + "names": [ + "Paeonilactone A" + ] + }, + { + "compound_id": "C17455", + "inchi": "InChI=1S/C10H12O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h6-7,13H,1,3-4H2,2H3/t6-,7-,10+/m1/s1", + "name": "Paeonilactone B", + "names": [ + "Paeonilactone B" + ] + }, + { + "compound_id": "C17456", + "inchi": "InChI=1S/C17H18O6/c1-17(21)8-13-11(7-14(17)18)12(16(20)23-13)9-22-15(19)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3/t11-,12-,13-,17+/m1/s1", + "name": "Paeonilactone C", + "names": [ + "Paeonilactone C" + ] + }, + { + "compound_id": "C17458", + "inchi": "InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1", + "name": "Gallotannin", + "names": [ + "1,3,6-Tri-o-galloyl-beta-D-glucose", + "Gallotannin" + ] + }, + { + "compound_id": "C17459", + "inchi": "InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20-,21-,22-,24-,25+,28-,29-,30-/m0/s1", + "name": "Alisol A", + "names": [ + "Alisol A" + ] + }, + { + "compound_id": "C17460", + "inchi": "InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1", + "name": "Alisol B", + "names": [ + "Alisol B" + ] + }, + { + "compound_id": "C17461", + "inchi": "InChI=1S/C30H46O5/c1-16(13-19(32)25-27(4,5)35-25)23-17-14-18(31)24-28(6)11-10-22(34)26(2,3)21(28)9-12-29(24,7)30(17,8)15-20(23)33/h16,18-19,21,24-25,31-32H,9-15H2,1-8H3/t16-,18-,19-,21-,24-,25+,28-,29-,30-/m0/s1", + "name": "Alisol C", + "names": [ + "Alisol C" + ] + }, + { + "compound_id": "C17462", + "inchi": "InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h9-10,13-14,16H,3,5-8H2,1-2,4H3/t13-,14?,15-/m1/s1", + "name": "Alismol", + "names": [ + "Alismol" + ] + }, + { + "compound_id": "C17463", + "inchi": "InChI=1S/C15H23NO2/c1-11-3-5-14-12(2)4-6-15(16(14,17)9-11)13-7-8-18-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-,16+/m0/s1", + "name": "Nupharidine", + "names": [ + "Nupharidine" + ] + }, + { + "compound_id": "C17464", + "inchi": "InChI=1S/C15H25NO2/c1-11-4-5-14(12-7-9-18-10-12)16-13(11)6-8-15(2,3)17/h7,9-11,13-14,16-17H,4-6,8H2,1-3H3/t11-,13+,14+/m1/s1", + "name": "Nupharamine", + "names": [ + "Nupharamine" + ] + }, + { + "compound_id": "C17465", + "inchi": "InChI=1S/C32H40O19/c33-11-19-23(38)25(40)27(42)29(50-19)48-17-5-1-15(2-6-17)13-46-22(37)10-32(45,9-21(35)36)31(44)47-14-16-3-7-18(8-4-16)49-30-28(43)26(41)24(39)20(12-34)51-30/h1-8,19-20,23-30,33-34,38-43,45H,9-14H2,(H,35,36)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-,32?/m1/s1", + "name": "Parishin B", + "names": [ + "Parishin B" + ] + }, + { + "compound_id": "C17466", + "inchi": "InChI=1S/C32H40O19/c33-11-19-23(37)25(39)27(41)29(50-19)48-17-5-1-15(2-6-17)13-46-21(35)9-32(45,31(43)44)10-22(36)47-14-16-3-7-18(8-4-16)49-30-28(42)26(40)24(38)20(12-34)51-30/h1-8,19-20,23-30,33-34,37-42,45H,9-14H2,(H,43,44)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+,32?/m1/s1", + "name": "Parishin C", + "names": [ + "Parishin C" + ] + }, + { + "compound_id": "C17467", + "inchi": "InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2", + "name": "p-Hydroxybenzyl alcohol", + "names": [ + "4-Hydroxybenzyl alcohol", + "p-Hydroxybenzyl alcohol", + "p-Methylolphenol" + ] + }, + { + "compound_id": "C17468", + "inchi": "InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44?,45-,46-,47?,48+,49-,50+,51+,52-/m1/s1", + "name": "Methylprotodioscin", + "names": [ + "Methylprotodioscin" + ] + }, + { + "compound_id": "C17469", + "inchi": "InChI=1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44?,45-,46-,47?,48+,49-,50+,51+/m1/s1", + "name": "Pseudoprotodioscin", + "names": [ + "Pseudoprotodioscin" + ] + }, + { + "compound_id": "C17470", + "inchi": "InChI=1S/C45H74O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39?,40+,41?,42+,43-,44-,45+/m0/s1", + "name": "Asparasaponin II", + "names": [ + "Asparasaponin II" + ] + }, + { + "compound_id": "C17471", + "inchi": "InChI=1S/C18H14O6/c1-9-12(19)6-15-16(17(9)20)18(21)11(7-22-15)4-10-2-3-13-14(5-10)24-8-23-13/h2-3,5-7,19-20H,4,8H2,1H3", + "name": "Ophiopogonone A", + "names": [ + "Ophiopogonone A" + ] + }, + { + "compound_id": "C17472", + "inchi": "InChI=1S/C18H16O5/c1-10-14(19)8-15-16(17(10)20)18(21)12(9-23-15)7-11-3-5-13(22-2)6-4-11/h3-6,8-9,19-20H,7H2,1-2H3", + "name": "Ophiopogonone B", + "names": [ + "Ophiopogonone B" + ] + }, + { + "compound_id": "C17473", + "inchi": "InChI=1S/C19H16O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6-7,20-21H,5,8H2,1-2H3", + "name": "Methylophiopogonone A", + "names": [ + "Methylophiopogonone A" + ] + }, + { + "compound_id": "C17474", + "inchi": "InChI=1S/C19H18O5/c1-10-16(20)11(2)19-15(17(10)21)18(22)13(9-24-19)8-12-4-6-14(23-3)7-5-12/h4-7,9,20-21H,8H2,1-3H3", + "name": "Methylophiopogonone B", + "names": [ + "Methylophiopogonone B" + ] + }, + { + "compound_id": "C17475", + "inchi": "InChI=1S/C18H16O6/c1-9-12(19)6-15-16(17(9)20)18(21)11(7-22-15)4-10-2-3-13-14(5-10)24-8-23-13/h2-3,5-6,11,19-20H,4,7-8H2,1H3", + "name": "Ophiopogonanone A", + "names": [ + "Ophiopogonanone A" + ] + }, + { + "compound_id": "C17476", + "inchi": "InChI=1S/C26H34O13/c1-11(2)3-6-13-14(7-4-12-5-8-17(28)39-24(12)13)36-26-23(34)21(32)19(30)16(38-26)10-35-25-22(33)20(31)18(29)15(9-27)37-25/h3-5,7-8,15-16,18-23,25-27,29-34H,6,9-10H2,1-2H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-/m1/s1", + "name": "Osthenol-7-O-beta-D-gentiobioside", + "names": [ + "Osthenol-7-O-beta-D-gentiobioside" + ] + }, + { + "compound_id": "C17477", + "inchi": "InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2/t2*2-,3+,4+,5-;/m00./s1", + "name": "D-Galacturonic acid calcium salt", + "names": [ + "D-Galacturonic acid calcium salt" + ] + }, + { + "compound_id": "C17478", + "inchi": "InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2", + "name": "Calcium oxalate", + "names": [ + "Calcium oxalate" + ] + }, + { + "compound_id": "C17479", + "inchi": "InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3", + "name": "Fraxidin", + "names": [ + "8-Hydroxy-6,7-dimethoxy-2H-1-benzopyran-2-one", + "Fraxidin" + ] + }, + { + "compound_id": "C17480", + "inchi": "InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3", + "name": "Isofraxidin", + "names": [ + "7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one", + "Isofraxidin" + ] + }, + { + "compound_id": "C17482", + "inchi": "InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1", + "name": "(-)-Deltoin", + "names": [ + "(-)-Deltoin" + ] + }, + { + "compound_id": "C17483", + "inchi": "InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)18)5-12(17)15(2,3)20-10/h4,6,12,17-18H,5H2,1-3H3/t12-/m0/s1", + "name": "Hamaudol", + "names": [ + "Hamaudol" + ] + }, + { + "compound_id": "C17484", + "inchi": "InChI=1S/C21H26O10/c1-8-4-10(23)15-12(28-8)6-11-9(16(15)24)5-14(21(2,3)31-11)30-20-19(27)18(26)17(25)13(7-22)29-20/h4,6,13-14,17-20,22,24-27H,5,7H2,1-3H3/t13-,14?,17-,18+,19-,20?/m1/s1", + "name": "sec-o-Glucosylhamaudol", + "names": [ + "sec-o-Glucosylhamaudol" + ] + }, + { + "compound_id": "C17486", + "inchi": "InChI=1S/C11H17NO2/c1-12(2,3)7-6-9-4-5-10(13)11(14)8-9/h4-5,8H,6-7H2,1-3H3,(H-,13,14)/p+1", + "name": "Coryneine", + "names": [ + "Coryneine" + ] + }, + { + "compound_id": "C17487", + "inchi": "InChI=1S/C59H94O29/c1-24-41(84-47-39(73)42(30(67)19-78-47)85-51-45(75)58(77,22-63)23-80-51)43(82-25(2)64)40(74)49(81-24)86-44-35(69)29(66)18-79-50(44)88-52(76)59-13-12-53(3,4)14-27(59)26-8-9-32-54(5)15-28(65)46(87-48-38(72)37(71)36(70)31(17-60)83-48)57(20-61,21-62)33(54)10-11-55(32,6)56(26,7)16-34(59)68/h8,24,27-51,60-63,65-75,77H,9-23H2,1-7H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42?,43-,44?,45-,46-,47-,48-,49?,50-,51?,54+,55+,56+,58+,59+/m0/s1", + "name": "Platycodin C", + "names": [ + "Platycodin C" + ] + }, + { + "compound_id": "C17488", + "inchi": "InChI=1S/C15H20O2/c1-10-5-4-6-11(2)14(16)8-13-12(3)9-17-15(13)7-10/h5,9,11H,4,6-8H2,1-3H3/b10-5-/t11-/m0/s1", + "name": "Furanogermenone", + "names": [ + "Furanogermenone" + ] + }, + { + "compound_id": "C17489", + "inchi": "InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6-", + "name": "(4S,5S)-(+)-Germacrone 4,5-epoxide", + "names": [ + "(4S,5S)-(+)-Germacrone 4,5-epoxide" + ] + }, + { + "compound_id": "C17490", + "inchi": "InChI=1S/C15H18O3/c1-8-6-12-13(9(2)7-18-12)14(16)15(17)10(3)4-5-11(8)15/h7,10-11,17H,1,4-6H2,2-3H3/t10-,11-,15-/m0/s1", + "name": "Zedoarol", + "names": [ + "Zedoarol" + ] + }, + { + "compound_id": "C17491", + "inchi": "InChI=1S/C15H22O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,16H,4-5,8-10H2,1-3H3/b11-7+,12-6-,14-13-", + "name": "13-Hydroxygermacrone", + "names": [ + "13-Hydroxygermacrone" + ] + }, + { + "compound_id": "C17492", + "inchi": "InChI=1S/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3/t12-,13-,15+/m1/s1", + "name": "Curcumenone", + "names": [ + "Curcumenone" + ] + }, + { + "compound_id": "C17493", + "inchi": "InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6-/t12-,13-/m0/s1", + "name": "Curdione", + "names": [ + "Curdione" + ] + }, + { + "compound_id": "C17494", + "inchi": "InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,8-9,13H,6-7,10H2,1-4H3/t13-/m0/s1", + "name": "Turmerone", + "names": [ + "Turmerone" + ] + }, + { + "compound_id": "C17495", + "inchi": "InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1", + "name": "(8)-Gingerol", + "names": [ + "(8)-Gingerol" + ] + }, + { + "compound_id": "C17496", + "inchi": "InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1", + "name": "(10)-Gingerol", + "names": [ + "(10)-Gingerol" + ] + }, + { + "compound_id": "C17497", + "inchi": "InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3", + "name": "Zingerone", + "names": [ + "Vanillylacetone", + "Zingerone", + "Zingiberone", + "[0]-Paradol" + ] + }, + { + "compound_id": "C17498", + "inchi": "InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-,16+,19-,20+/m0/s1", + "name": "Galanolactone", + "names": [ + "(+)-Galanolactone", + "Galanolactone" + ] + }, + { + "compound_id": "C17499", + "inchi": "InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+", + "name": "Notopterol", + "names": [ + "Notopterol" + ] + }, + { + "compound_id": "C17500", + "inchi": "InChI=1S/C6H5NO/c7-5-3-1-2-4-6(5)8/h1-4,7H", + "name": "6-Iminocyclohexa-2,4-dienone", + "names": [ + "1,2-Benzoquinone monoimine", + "6-Iminocyclohexa-2,4-dienone" + ] + }, + { + "compound_id": "C17501", + "inchi": "InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3", + "name": "Cyperotundone", + "names": [ + "Cyperenone", + "Cyperotundone" + ] + }, + { + "compound_id": "C17502", + "inchi": "InChI=1S/C15H24O3/c1-7-11(17)6-15-8(2)10(16)5-9(14(15,3)4)13(18)12(7)15/h8-11,13,16-18H,5-6H2,1-4H3/t8-,9-,10+,11+,13+,15+/m1/s1", + "name": "Sugetriol", + "names": [ + "Sugetriol" + ] + }, + { + "compound_id": "C17503", + "inchi": "InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3", + "name": "Cnidilin", + "names": [ + "Cnidilin", + "Isophellopterin" + ] + }, + { + "compound_id": "C17504", + "inchi": "InChI=1S/C15H22O2/c1-8-5-6-10-13(17)12-9(2)11(16)7-15(8,12)14(10,3)4/h8,10,13,17H,5-7H2,1-4H3/t8-,10-,13+,15+/m1/s1", + "name": "Sugeonol", + "names": [ + "Sugeonol" + ] + }, + { + "compound_id": "C17505", + "inchi": "InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3", + "name": "Cyperene", + "names": [ + "(-)-Cyperene", + "Cyperene" + ] + }, + { + "compound_id": "C17506", + "inchi": "InChI=1S/C17H24O3/c1-9-6-7-12-15(20-11(3)18)14-10(2)13(19)8-17(9,14)16(12,4)5/h9,12,15H,6-8H2,1-5H3/t9-,12-,15+,17+/m1/s1", + "name": "Sugeonyl acetate", + "names": [ + "Sugeonyl acetate" + ] + }, + { + "compound_id": "C17507", + "inchi": "InChI=1S/C25H32O10/c1-24-9-15(13-6-8-32-11-13)34-22(31)14(24)5-7-25(17(24)3-2-4-18(25)27)12-33-23-21(30)20(29)19(28)16(10-26)35-23/h2,4,6,8,11,14-17,19-21,23,26,28-30H,3,5,7,9-10,12H2,1H3/t14-,15-,16+,17-,19+,20-,21+,23+,24+,25-/m0/s1", + "name": "Palmatoside G", + "names": [ + "Palmatoside G" + ] + }, + { + "compound_id": "C17508", + "inchi": "InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20+/m0/s1", + "name": "Isocolumbin", + "names": [ + "Isocolumbin" + ] + }, + { + "compound_id": "C17509", + "inchi": null, + "name": "Thymine dimer", + "names": [ + "Cyclobutadithymine (in DNA)", + "T-T dimer", + "Thymine dimer", + "cis-syn Thymine dimer" + ] + }, + { + "compound_id": "C17510", + "inchi": null, + "name": "Two thymine residues (in DNA)", + "names": [ + "Two adjacent thymine residues (in DNA)", + "Two thymine residues (in DNA)" + ] + }, + { + "compound_id": "C17512", + "inchi": "InChI=1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)", + "name": "N-Methylanthranilamide", + "names": [ + "N-Methyl-2-aminobenzamide", + "N-Methylanthranilamide" + ] + }, + { + "compound_id": "C17513", + "inchi": "InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1", + "name": "trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester", + "names": [ + "trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester" + ] + }, + { + "compound_id": "C17514", + "inchi": "InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3", + "name": "4-o-Galloylbergenin", + "names": [ + "4-o-Galloylbergenin" + ] + }, + { + "compound_id": "C17515", + "inchi": "InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)", + "name": "Capsi-amide", + "names": [ + "CAP-A", + "Capsi-amide", + "N-(13-Methyltetradecyl)acetamide" + ] + }, + { + "compound_id": "C17516", + "inchi": "InChI=1S/C76H124O33/c1-13-75(11,108-72-63(94)57(88)53(84)47(33-78)102-72)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-66-59(90)50(81)43(9)100-73(66)98-36-49-55(86)58(89)62(93)71(104-49)106-65-51(82)44(10)99-69(64(65)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(60(91)54(85)48(34-79)103-74)107-70-61(92)56(87)52(83)46(32-77)101-70/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20+,38-27+,39-26+,40-24+,41-25-,42-31+/t43-,44-,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61+,62+,63+,64+,65+,66+,67+,69+,70-,71-,72-,73+,74-,75+,76+/m0/s1", + "name": "Capsianside A", + "names": [ + "Capsianside A" + ] + }, + { + "compound_id": "C17517", + "inchi": "InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3", + "name": "beta-Terpineol", + "names": [ + "beta-Terpineol" + ] + }, + { + "compound_id": "C17518", + "inchi": "InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3", + "name": "gamma-Terpineol", + "names": [ + "gamma-Terpineol" + ] + }, + { + "compound_id": "C17519", + "inchi": "InChI=1S/C29H30O14/c1-2-17-27(40-12-18-25(36)39-7-6-29(17,18)38)43-28-24(23(35)22(34)20(11-30)41-28)42-26(37)21-16(9-15(32)10-19(21)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,17,20,22-24,27-28,30-35,38H,1,6-7,11H2/t17-,20+,22+,23-,24+,27?,28?,29+/m0/s1", + "name": "Amaroswerin", + "names": [ + "Amaroswerin" + ] + }, + { + "compound_id": "C17520", + "inchi": "InChI=1S/C21H20O13/c1-31-17-10(24)4-7-12(15(17)27)18-19(34-21(7)30)16(28)14(26)11(33-18)5-32-20(29)6-2-8(22)13(25)9(23)3-6/h2-4,11,14,16,18-19,22-28H,5H2,1H3", + "name": "11-o-Galloylbergenin", + "names": [ + "11-o-Galloylbergenin" + ] + }, + { + "compound_id": "C17521", + "inchi": "InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,34+/m1/s1", + "name": "Mallotinic acid", + "names": [ + "Mallotinic acid" + ] + }, + { + "compound_id": "C17522", + "inchi": "InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1", + "name": "Mallogenin-3-o-alpha-L-rhamnopyranoside", + "names": [ + "Mallogenin-3-o-alpha-L-rhamnopyranoside", + "Malloside" + ] + }, + { + "compound_id": "C17523", + "inchi": "InChI=1S/C29H44O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-7-28(13-30)16(10-17)3-4-19-22(28)20(31)11-27(2)18(6-8-29(19,27)36)15-9-21(32)37-12-15/h9,14,16-20,22-26,30-31,33-36H,3-8,10-13H2,1-2H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27+,28+,29-/m0/s1", + "name": "Panogenin-3-o-alpha-L-rhamnopyranoside", + "names": [ + "Panogenin-3-o-alpha-L-rhamnopyranoside", + "Panoside" + ] + }, + { + "compound_id": "C17524", + "inchi": "InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1", + "name": "Coroglaucigenin-3-o-alpha-L-rhamnopyranoside", + "names": [ + "Coroglaucigenin-3-o-alpha-L-rhamnopyranoside" + ] + }, + { + "compound_id": "C17525", + "inchi": "InChI=1S/C29H42O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,14-15,17-21,23-26,32-35H,3-10,12-13H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28+,29-/m0/s1", + "name": "Corotoxigenin-3-O-alpha-L-rhamnopyranoside", + "names": [ + "Corotoxigenin-3-O-alpha-L-rhamnopyranoside" + ] + }, + { + "compound_id": "C17526", + "inchi": "InChI=1S/C36H54O14/c1-17-30(50-32-28(42)27(41)26(40)24(14-37)49-32)31(45-3)29(43)33(47-17)48-20-6-10-35(16-38)19(13-20)4-5-23-22(35)7-9-34(2)21(8-11-36(23,34)44)18-12-25(39)46-15-18/h12,16-17,19-24,26-33,37,40-44H,4-11,13-15H2,1-3H3/t17-,19+,20+,21-,22+,23-,24-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+/m1/s1", + "name": "Boivinide A", + "names": [ + "Boivinide A", + "Corotoxigenin-3-O-beta-D-glucopyranosyl-(1->4)-beta-D-digitalopyranoside" + ] + }, + { + "compound_id": "C17527", + "inchi": "InChI=1S/C8H16O3/c9-6-5-8(11)3-1-7(10)2-4-8/h7,9-11H,1-6H2/t7-,8+", + "name": "Rengyol", + "names": [ + "Rengyol" + ] + }, + { + "compound_id": "C17528", + "inchi": "InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1", + "name": "beta-Hydroxyacteoside", + "names": [ + "beta-Hydroxyacteoside" + ] + }, + { + "compound_id": "C17529", + "inchi": "InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1", + "name": "(-)-Pinoresinol glucoside", + "names": [ + "(-)-Pinoresinol glucoside" + ] + }, + { + "compound_id": "C17530", + "inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3", + "name": "Methyl acetate", + "names": [ + "Devoton", + "Methyl acetate", + "Tereton" + ] + }, + { + "compound_id": "C17531", + "inchi": "InChI=1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12-,15+,18+,19-,20+,21+/m0/s1", + "name": "Plantagoside", + "names": [ + "Plantagoside" + ] + }, + { + "compound_id": "C17532", + "inchi": "InChI=1S/C10H10N2O4/c1-14-8-6-4-3-5-7(8)12-10(13)16-9(11-12)15-2/h3-6H,1-2H3", + "name": "Metoxadiazone", + "names": [ + "Metoxadiazone" + ] + }, + { + "compound_id": "C17533", + "inchi": "InChI=1S/C21H18N2O2/c1-25-21(24)16-7-4-5-13-12-23-10-9-15-14-6-2-3-8-18(14)22-20(15)19(23)11-17(13)16/h2-8,11,22H,9-10,12H2,1H3", + "name": "Gambirtannine", + "names": [ + "Gambirtannine" + ] + }, + { + "compound_id": "C17534", + "inchi": "InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24-,25-,26-,28+,29-,30-,31+/m0/s1", + "name": "Cylindrin", + "names": [ + "Cylindrin" + ] + }, + { + "compound_id": "C17535", + "inchi": "InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6-,14-12-,17-15-", + "name": "Aplotaxene", + "names": [ + "Aplotaxene" + ] + }, + { + "compound_id": "C17536", + "inchi": "InChI=1S/C57H94O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h6,22-23,25-54,58-73H,7-21H2,1-5H3", + "name": "Sibiricoside A", + "names": [ + "Sibiricoside A" + ] + }, + { + "compound_id": "C17537", + "inchi": "InChI=1S/C50H80O24/c1-19-11-30(55)50(66-17-19)20(2)31-26(74-50)13-49(64)24-6-5-21-12-22(7-9-47(21,3)23(24)8-10-48(31,49)4)67-44-39(63)36(60)40(29(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)27(14-51)68-45)41(34(58)28(15-52)69-46)72-43-37(61)32(56)25(54)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3", + "name": "Sibiricoside B", + "names": [ + "Sibiricoside B" + ] + }, + { + "compound_id": "C17538", + "inchi": "InChI=1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16-,17?,18+,19+,20+,21-,22+,23-,26-,27-,28-,29+,30?/m1/s1", + "name": "Cimigenol", + "names": [ + "Cimigenol" + ] + }, + { + "compound_id": "C17539", + "inchi": "InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,58)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-42-39(64-41-38(57)35(54)33(52)26(19-48)61-41)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1", + "name": "Chikusetsusaponin III", + "names": [ + "Chikusetsusaponin III" + ] + }, + { + "compound_id": "C17540", + "inchi": "InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-33(55)30(52)28(50)23(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)31(53)35(36(64-40)37(57)58)63-38-32(54)29(51)24(20-49)60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23+,24-,25-,26+,27?,28+,29-,30-,31+,32+,33+,34+,35?,36-,38?,39-,40?,44-,45+,46+,47-/m0/s1", + "name": "Chikusetsusaponin IV", + "names": [ + "Araloside A", + "Chikusetsusaponin IV" + ] + }, + { + "compound_id": "C17541", + "inchi": "InChI=1S/C96H160N10O26P2/c1-60(2)31-21-32-61(3)33-22-34-62(4)35-23-36-63(5)37-24-38-64(6)39-25-40-65(7)41-26-42-66(8)43-27-44-67(9)45-28-46-68(10)47-29-48-69(11)49-30-50-70(12)54-56-126-133(122,123)132-134(124,125)131-96-84(104-76(18)110)88(87(80(59-108)129-96)130-95-83(103-75(17)109)86(114)85(113)79(58-107)128-95)127-74(16)92(118)100-72(14)91(117)106-77(89(98)115)52-53-81(111)105-78(51-19-20-55-99-82(112)57-97)93(119)101-71(13)90(116)102-73(15)94(120)121/h31,33,35,37,39,41,43,45,47,49,54,71-74,77-80,83-88,95-96,107-108,113-114H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-59,97H2,1-18H3,(H2,98,115)(H,99,112)(H,100,118)(H,101,119)(H,102,116)(H,103,109)(H,104,110)(H,105,111)(H,106,117)(H,120,121)(H,122,123)(H,124,125)/b61-33+,62-35+,63-37-,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-54-/t71-,72+,73-,74-,77-,78+,79-,80-,83-,84-,85-,86-,87?,88-,95?,96-/m1/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine", + "names": [ + "Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)-D-Ala-D-Ala", + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C17542", + "inchi": "InChI=1S/C100H166N12O28P2/c1-62(2)31-21-32-63(3)33-22-34-64(4)35-23-36-65(5)37-24-38-66(6)39-25-40-67(7)41-26-42-68(8)43-27-44-69(9)45-28-46-70(10)47-29-48-71(11)49-30-50-72(12)54-56-134-141(130,131)140-142(132,133)139-100-88(110-78(18)116)92(91(82(61-114)137-100)138-99-87(109-77(17)115)90(122)89(121)81(60-113)136-99)135-76(16)96(126)106-74(14)95(125)112-79(93(102)123)52-53-83(117)111-80(97(127)107-73(13)94(124)108-75(15)98(128)129)51-19-20-55-103-85(119)58-105-86(120)59-104-84(118)57-101/h31,33,35,37,39,41,43,45,47,49,54,73-76,79-82,87-92,99-100,113-114,121-122H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-61,101H2,1-18H3,(H2,102,123)(H,103,119)(H,104,118)(H,105,120)(H,106,126)(H,107,127)(H,108,124)(H,109,115)(H,110,116)(H,111,117)(H,112,125)(H,128,129)(H,130,131)(H,132,133)/b63-33+,64-35+,65-37-,66-39-,67-41-,68-43-,69-45-,70-47-,71-49-,72-54-/t73-,74+,75-,76-,79-,80+,81-,82-,87-,88-,89-,90-,91?,92-,99?,100-/m1/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine", + "names": [ + "Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala", + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C17543", + "inchi": "InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27?,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41?,45-,46+,47+,48-/m0/s1", + "name": "Chikusetsusaponin V", + "names": [ + "Chikusetsusaponin V", + "Ginsenoside Ro" + ] + }, + { + "compound_id": "C17544", + "inchi": "InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3", + "name": "Chikusetsusaponin Ia", + "names": [ + "Chikusetsusaponin Ia" + ] + }, + { + "compound_id": "C17545", + "inchi": "InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)22(23(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)61-40-33(55)30(52)34(62-39-32(54)29(51)24(20-49)60-39)35(63-40)37(57)65-38-21(19-48)28(50)31(53)36(56)64-38/h8,21,23-36,38-40,48-56H,9-20H2,1-7H3,(H,58,59)", + "name": "Chikusetsusaponin Ib", + "names": [ + "Chikusetsusaponin Ib" + ] + }, + { + "compound_id": "C17546", + "inchi": "InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(61-22)60-20-26-32(52)34(54)36(56)39(62-26)64-37-31(51)25(49)19-59-40(37)63-29-11-12-43(4)27(44(29,5)21-48)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26+,27+,28+,29?,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40?,43-,44-,45+,46+,47-/m0/s1", + "name": "Akeboside Stf", + "names": [ + "Akeboside Stf" + ] + }, + { + "compound_id": "C17547", + "inchi": "InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27?,28-,29+,30-,31+,32+,33-,34?,37-,38-,39+,40+,41-/m0/s1", + "name": "Akeboside Std", + "names": [ + "Akebia saponin C", + "Akeboside Std", + "Cauloside C" + ] + }, + { + "compound_id": "C17548", + "inchi": "InChI=1S/C47H76O16/c1-22-30(49)33(52)35(54)38(60-22)59-21-26-32(51)34(53)36(55)39(61-26)63-37-31(50)25(48)20-58-40(37)62-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29?,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40?,44-,45+,46+,47-/m0/s1", + "name": "Akeboside Ste", + "names": [ + "Akeboside Ste" + ] + }, + { + "compound_id": "C17549", + "inchi": "InChI=1S/C100H166N10O28P2/c1-61(2)33-23-34-62(3)35-24-36-63(4)37-25-38-64(5)39-26-40-65(6)41-27-42-66(7)43-28-44-67(8)45-29-46-68(9)47-30-48-69(10)49-31-50-70(11)51-32-52-71(12)56-58-132-139(128,129)138-140(130,131)137-100-86(108-79(20)114)90(89(83(60-112)135-100)136-99-85(107-78(19)113)88(117)87(116)82(59-111)134-99)133-77(18)95(122)104-75(16)94(121)110-81(98(126)127)54-55-84(115)109-80(96(123)105-74(15)93(120)106-76(17)97(124)125)53-21-22-57-102-92(119)73(14)103-91(118)72(13)101/h33,35,37,39,41,43,45,47,49,51,56,72-77,80-83,85-90,99-100,111-112,116-117H,21-32,34,36,38,40,42,44,46,48,50,52-55,57-60,101H2,1-20H3,(H,102,119)(H,103,118)(H,104,122)(H,105,123)(H,106,120)(H,107,113)(H,108,114)(H,109,115)(H,110,121)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/b62-35+,63-37+,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-51-,71-56-/t72-,73-,74+,75-,76+,77+,80-,81+,82+,83+,85+,86+,87+,88+,89?,90+,99?,100+/m0/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine", + "names": [ + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C17550", + "inchi": "InChI=1S/C97H161N9O27P2/c1-60(2)32-22-33-61(3)34-23-35-62(4)36-24-37-63(5)38-25-39-64(6)40-26-41-65(7)42-27-43-66(8)44-28-45-67(9)46-29-47-68(10)48-30-49-69(11)50-31-51-70(12)55-57-127-134(123,124)133-135(125,126)132-97-84(104-77(19)110)88(87(81(59-108)130-97)131-96-83(103-76(18)109)86(113)85(112)80(58-107)129-96)128-75(17)92(117)100-73(15)91(116)106-79(95(121)122)53-54-82(111)105-78(52-20-21-56-99-89(114)71(13)98)93(118)101-72(14)90(115)102-74(16)94(119)120/h32,34,36,38,40,42,44,46,48,50,55,71-75,78-81,83-88,96-97,107-108,112-113H,20-31,33,35,37,39,41,43,45,47,49,51-54,56-59,98H2,1-19H3,(H,99,114)(H,100,117)(H,101,118)(H,102,115)(H,103,109)(H,104,110)(H,105,111)(H,106,116)(H,119,120)(H,121,122)(H,123,124)(H,125,126)/b61-34+,62-36+,63-38-,64-40-,65-42-,66-44-,67-46-,68-48-,69-50-,70-55-/t71-,72+,73-,74+,75+,78-,79+,80+,81+,83+,84+,85+,86+,87?,88+,96?,97+/m0/s1", + "name": "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine", + "names": [ + "Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl)-D-alanyl-D-alanine" + ] + }, + { + "compound_id": "C17551", + "inchi": "InChI=1S/C16H22O2/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(17)16(14)18/h5-6,8-10,17-18H,4,7,11H2,1-3H3/b13-10+", + "name": "2-Polyprenyl-6-hydroxyphenol", + "names": [ + "2-Polyprenyl-6-hydroxyphenol", + "3-Polyprenylcatechol" + ] + }, + { + "compound_id": "C17552", + "inchi": "InChI=1S/C17H24O2/c1-13(2)7-5-8-14(3)11-12-15-9-6-10-16(19-4)17(15)18/h6-7,9-11,18H,5,8,12H2,1-4H3/b14-11+", + "name": "2-Polyprenyl-6-methoxyphenol", + "names": [ + "2-Polyprenyl-6-methoxyphenol" + ] + }, + { + "compound_id": "C17553", + "inchi": "InChI=1S/C53H78O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(66-31(5)55)49(52(35,53)7)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-16,19,28-30,33-38,40-50,57-59H,17-18,20-26H2,1-10H3/b19-16+/t28-,29-,30-,33?,34+,35-,36?,37+,38+,40+,41?,42?,43-,44-,45?,46?,47+,48-,49-,50?,51+,52+,53+/m1/s1", + "name": "Condurango glycoside A", + "names": [ + "Condurango glycoside A" + ] + }, + { + "compound_id": "C17554", + "inchi": "InChI=1S/C17H22O4/c1-11(2)5-4-6-12(3)7-8-13-9-14(17(20)21)10-15(18)16(13)19/h5,7,9-10,18-19H,4,6,8H2,1-3H3,(H,20,21)/b12-7+", + "name": "3-Polyprenyl-4,5-dihydroxybenzoate", + "names": [ + "3,4-Dihydroxy-5-polyprenylbenzoate", + "3-Polyprenyl-4,5-dihydroxybenzoate" + ] + }, + { + "compound_id": "C17555", + "inchi": "InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1", + "name": "Icariin", + "names": [ + "Icariin" + ] + }, + { + "compound_id": "C17556", + "inchi": "InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-", + "name": "di-trans,poly-cis-Undecaprenyl phosphate", + "names": [ + "Undecaprenyl phosphate", + "di-trans,poly-cis-Undecaprenyl phosphate", + "ditrans,octacis-Undecaprenyl phosphate" + ] + }, + { + "compound_id": "C17557", + "inchi": "InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+", + "name": "Lonicerin", + "names": [ + "Lonicerin" + ] + }, + { + "compound_id": "C17558", + "inchi": "InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29-,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-", + "name": "di-trans,poly-cis-Undecaprenol", + "names": [ + "Undecaprenol", + "di-trans,poly-cis-Undecaprenol" + ] + }, + { + "compound_id": "C17559", + "inchi": "InChI=1S/C18H24O4/c1-12(2)6-5-7-13(3)8-9-14-10-15(18(20)21)11-16(22-4)17(14)19/h6,8,10-11,19H,5,7,9H2,1-4H3,(H,20,21)/b13-8+", + "name": "3-Polyprenyl-4-hydroxy-5-methoxybenzoate", + "names": [ + "3-Polyprenyl-4-hydroxy-5-methoxybenzoate" + ] + }, + { + "compound_id": "C17560", + "inchi": "InChI=1S/C17H22O3/c1-12(2)6-5-7-13(3)8-9-14-10-15(18)11-16(20-4)17(14)19/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+", + "name": "2-Polyprenyl-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Polyprenyl-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C17561", + "inchi": "InChI=1S/C18H24O3/c1-12(2)7-6-8-13(3)9-10-15-14(4)16(19)11-17(21-5)18(15)20/h7,9,11H,6,8,10H2,1-5H3/b13-9+", + "name": "2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C17562", + "inchi": "InChI=1S/C18H24O4/c1-11(2)7-6-8-12(3)9-10-14-13(4)15(19)17(21)18(22-5)16(14)20/h7,9,21H,6,8,10H2,1-5H3/b12-9+", + "name": "2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone", + "names": [ + "2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone" + ] + }, + { + "compound_id": "C17563", + "inchi": "InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1", + "name": "Multinoside A", + "names": [ + "Multinoside A" + ] + }, + { + "compound_id": "C17564", + "inchi": "InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19-/m1/s1", + "name": "Zizybeoside I", + "names": [ + "Zizybeoside I" + ] + }, + { + "compound_id": "C17565", + "inchi": "InChI=1S/C25H38O16/c26-6-11-14(29)17(32)19(34)23(37-11)40-21-16(31)13(8-28)39-25(36-9-10-4-2-1-3-5-10)22(21)41-24-20(35)18(33)15(30)12(7-27)38-24/h1-5,11-35H,6-9H2/t11-,12+,13-,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24+,25-/m1/s1", + "name": "Zizybeoside II", + "names": [ + "Zizybeoside II" + ] + }, + { + "compound_id": "C17566", + "inchi": "InChI=1S/C38H70O4/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38(40)42-36(4)35(3)41-37(39)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h15-18,35-36H,5-14,19-34H2,1-4H3/b17-15+,18-16-/t35-,36+/m1/s1", + "name": "Coixenolide", + "names": [ + "Coixenolide" + ] + }, + { + "compound_id": "C17567", + "inchi": "InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-18(22)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1/t17-/m1/s1", + "name": "Lotusine", + "names": [ + "(-)-Lotusine", + "D-(-)-Lotusine", + "Lotusine" + ] + }, + { + "compound_id": "C17568", + "inchi": "InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+", + "name": "Ubiquinone-6", + "names": [ + "Coenzyme Q6", + "Ubiquinone-6" + ] + }, + { + "compound_id": "C17569", + "inchi": "InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+", + "name": "Ubiquinone-8", + "names": [ + "Coenzyme Q8", + "Ubiquinone-8" + ] + }, + { + "compound_id": "C17570", + "inchi": "InChI=1S/C52H80O2/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-50-39-51(53)38-49(11)52(50)54/h20,22,24,26,28,30,32,34,36,38-39,53-54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+", + "name": "2-Methyl-6-solanyl-1,4-benzoquinol", + "names": [ + "2-Methyl-6-nonaprenyl-benzene-1,4-diol", + "2-Methyl-6-solanyl-1,4-benzoquinol" + ] + }, + { + "compound_id": "C17571", + "inchi": "InChI=1S/C21H39N7O13/c1-26-9-13(35)10(32)5(2-29)38-17(9)41-16-18(39-6(3-30)21(16,37)4-31)40-15-8(28-20(24)25)11(33)7(27-19(22)23)12(34)14(15)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15?,16?,17?,18?,21+/m0/s1", + "name": "5'-Hydroxystreptomycin", + "names": [ + "5'-Hydroxystreptomycin" + ] + }, + { + "compound_id": "C17572", + "inchi": "InChI=1S/C8H17N4O9P/c9-7(10)12-1-2(13)6(20-8(11)16)4(15)3(14)5(1)21-22(17,18)19/h1-6,13-15H,(H2,11,16)(H4,9,10,12)(H2,17,18,19)/t1-,2-,3+,4+,5+,6+/m0/s1", + "name": "Bluensidine 6-phosphate", + "names": [ + "Bluensidine 6-phosphate" + ] + }, + { + "compound_id": "C17573", + "inchi": "InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14?,15+,16?,17?,18?,21+/m0/s1", + "name": "Bluensomycin", + "names": [ + "Bluensomycin" + ] + }, + { + "compound_id": "C17574", + "inchi": "InChI=1S/C6H14N2O4/c7-1-3(9)2(8)5(11)6(12)4(1)10/h1-6,9-12H,7-8H2/t1-,2+,3+,4+,5-,6-", + "name": "2-epi-Streptamine", + "names": [ + "2-epi-Streptamine" + ] + }, + { + "compound_id": "C17575", + "inchi": "InChI=1S/C8H18N2O4/c1-9-3-5(11)4(10-2)7(13)8(14)6(3)12/h3-14H,1-2H3/t3-,4+,5+,6+,7-,8-", + "name": "Actinamine", + "names": [ + "Actinamine", + "Spectinamine" + ] + }, + { + "compound_id": "C17576", + "inchi": "InChI=1S/C6H11NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-4,6,8-10,12H,7H2/t1-,2-,3+,4+,6-/m0/s1", + "name": "3-Keto-scyllo-inosamine", + "names": [ + "3-Keto-scyllo-inosamine" + ] + }, + { + "compound_id": "C17577", + "inchi": "InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2+,3-,4-,5+", + "name": "myo-Inosose-5", + "names": [ + "myo-Inosose-5" + ] + }, + { + "compound_id": "C17578", + "inchi": "InChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/t1-,2+,3-,4-,5+,6-", + "name": "neo-Inosamine-2", + "names": [ + "2L-2-Amino-2-deoxy-neo-inositol", + "neo-Inosamine-2" + ] + }, + { + "compound_id": "C17579", + "inchi": "InChI=1S/C23H29NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,13-21,23,26-31H,7H2,1-2H3,(H,24,32)/b8-5+/t13-,14+,15-,16-,17+,18+,19-,20+,21-,23-/m1/s1", + "name": "Hygromycin A", + "names": [ + "Hygromycin A" + ] + }, + { + "compound_id": "C17580", + "inchi": "InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6-/m0/s1", + "name": "2-Deoxy-scyllo-inosamine", + "names": [ + "2-Deoxy-scyllo-inosamine" + ] + }, + { + "compound_id": "C17581", + "inchi": "InChI=1S/C6H11NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-6,9-11H,1,7H2/t2-,4+,5-,6-/m0/s1", + "name": "3-Amino-2,3-dideoxy-scyllo-inosose", + "names": [ + "2-Deoxy-3-keto-scyllo-inosamine", + "3-Amino-2,3-dideoxy-scyllo-inosose" + ] + }, + { + "compound_id": "C17582", + "inchi": "InChI=1S/C14H27N3O8/c1-4(19)17-8-11(22)10(21)7(3-18)24-14(8)25-13-6(16)2-5(15)9(20)12(13)23/h5-14,18,20-23H,2-3,15-16H2,1H3,(H,17,19)/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14-/m1/s1", + "name": "2'-N-Acetylparomamine", + "names": [ + "2'-N-Acetylparomamine" + ] + }, + { + "compound_id": "C17583", + "inchi": "InChI=1S/C12H23N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h2-12,17-20H,1,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1", + "name": "6'-Dehydro-6'-oxoparomamine", + "names": [ + "6'-Dehydro-6'-oxoparomamine" + ] + }, + { + "compound_id": "C17584", + "inchi": "InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11+,12-,13-,14-,15-,16-,17+/m1/s1", + "name": "Xylostasin", + "names": [ + "Xylostasin" + ] + }, + { + "compound_id": "C17585", + "inchi": "InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1", + "name": "Butirosin A", + "names": [ + "Butirosin A" + ] + }, + { + "compound_id": "C17586", + "inchi": "InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1", + "name": "Butirosin B", + "names": [ + "Butirosin B" + ] + }, + { + "compound_id": "C17587", + "inchi": "InChI=1S/C25H47N5O15/c1-6(33)30-13-18(38)16(36)10(4-31)41-24(13)44-21-11(5-32)42-25(19(21)39)45-22-14(34)7(27)2-8(28)20(22)43-23-12(29)17(37)15(35)9(3-26)40-23/h7-25,31-32,34-39H,2-5,26-29H2,1H3,(H,30,33)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1", + "name": "2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C", + "names": [ + "2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C" + ] + }, + { + "compound_id": "C17588", + "inchi": "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", + "name": "6'''-Deamino-6'''-hydroxyneomycin C", + "names": [ + "6'''-Deamino-6'''-hydroxyneomycin C" + ] + }, + { + "compound_id": "C17589", + "inchi": "InChI=1S/C23H43N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-6(26)1-5(25)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(28)16(35)14(33)8(3-29)38-22/h3,5-23,30-36H,1-2,4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", + "name": "6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C", + "names": [ + "6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C" + ] + }, + { + "compound_id": "C17590", + "inchi": "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2", + "name": "Catechin", + "names": [ + "(+/-)-Catechin", + "Catechin" + ] + }, + { + "compound_id": "C17591", + "inchi": "InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1", + "name": "(S)-Corytuberine", + "names": [ + "(S)-Corytuberine" + ] + }, + { + "compound_id": "C17592", + "inchi": "InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3", + "name": "Laudanine", + "names": [ + "Laudanine" + ] + }, + { + "compound_id": "C17593", + "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21+/m1/s1", + "name": "Uncarine A", + "names": [ + "Uncarine A" + ] + }, + { + "compound_id": "C17594", + "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14-,18+,21-/m1/s1", + "name": "Uncarine B", + "names": [ + "Formosamine", + "Uncarine B" + ] + }, + { + "compound_id": "C17595", + "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21+/m0/s1", + "name": "Uncarine C", + "names": [ + "Uncarine C" + ] + }, + { + "compound_id": "C17596", + "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21-/m0/s1", + "name": "Uncarine D", + "names": [ + "Speciophylline", + "Uncarine D" + ] + }, + { + "compound_id": "C17597", + "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21-/m0/s1", + "name": "Uncarine E", + "names": [ + "Uncarine E" + ] + }, + { + "compound_id": "C17598", + "inchi": "InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21+/m0/s1", + "name": "Uncarine F", + "names": [ + "Uncarine F" + ] + }, + { + "compound_id": "C17599", + "inchi": "InChI=1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1", + "name": "Methylarbutin", + "names": [ + "Methylarbutin" + ] + }, + { + "compound_id": "C17600", + "inchi": "InChI=1S/C27H30O15/c1-9-23(41-27-21(36)19(34)17(32)15(8-28)40-27)20(35)22(37)26(38-9)42-25-18(33)16-13(31)6-12(30)7-14(16)39-24(25)10-2-4-11(29)5-3-10/h2-7,9,15,17,19-23,26-32,34-37H,8H2,1H3/t9-,15+,17+,19-,20-,21+,22+,23-,26-,27-/m0/s1", + "name": "Multiflorin B", + "names": [ + "Multiflorin B" + ] + }, + { + "compound_id": "C17601", + "inchi": "InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2", + "name": "2(5H)-Furanone", + "names": [ + "2(5H)-Furanone", + "Butenolide", + "gamma-Crotonolactone" + ] + }, + { + "compound_id": "C17602", + "inchi": "InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2", + "name": "2(3H)-Furanone", + "names": [ + "2(3H)-Furanone", + "alpha-Crotonolactone" + ] + }, + { + "compound_id": "C17603", + "inchi": "InChI=1S/C15H26O3/c1-9(2)11-7-8-14(4)12(16)6-5-10(3)15(14,18)13(11)17/h9,11-13,16-18H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1", + "name": "Kikkanol A", + "names": [ + "Kikkanol A" + ] + }, + { + "compound_id": "C17604", + "inchi": "InChI=1S/C15H24O2/c1-10(2)11-6-7-15(3)13(8-11)12(9-16)4-5-14(15)17/h4,8,10-11,14,16-17H,5-7,9H2,1-3H3/t11-,14-,15-/m1/s1", + "name": "Kikkanol B", + "names": [ + "Kikkanol B" + ] + }, + { + "compound_id": "C17605", + "inchi": "InChI=1S/C15H24O3/c1-9(2)11-7-12-10(8-16)5-4-6-15(12,3)14(18)13(11)17/h5,8-9,11-14,17-18H,4,6-7H2,1-3H3/t11-,12-,13+,14+,15-/m0/s1", + "name": "Kikkanol C", + "names": [ + "Kikkanol C" + ] + }, + { + "compound_id": "C17606", + "inchi": "InChI=1S/C15H26O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,10,13-18H,3-5,7-9H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1", + "name": "Kikkanol D", + "names": [ + "Kikkanol D" + ] + }, + { + "compound_id": "C17607", + "inchi": "InChI=1S/C15H24O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,9-10,13-15,17-18H,3-5,7-8H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1", + "name": "Kikkanol E", + "names": [ + "Kikkanol E" + ] + }, + { + "compound_id": "C17608", + "inchi": "InChI=1S/C15H26O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,10,13-18H,3-5,7-9H2,1-2H3/b12-6-/t13-,14+,15+/m0/s1", + "name": "Kikkanol F", + "names": [ + "Kikkanol F" + ] + }, + { + "compound_id": "C17609", + "inchi": "InChI=1S/C15H22O2/c1-9(2)11-5-7-14(4)8-6-12-10(3)15(14,16)13(11)17-12/h11-13,16H,1,3,5-8H2,2,4H3", + "name": "Chrysantherol", + "names": [ + "Chrysantherol" + ] + }, + { + "compound_id": "C17610", + "inchi": "InChI=1S/C15H26O3/c1-10-5-7-12(15(3,4)18)9-14(17)11(2)6-8-13(10)16/h12-14,16-18H,1-2,5-9H2,3-4H3/t12-,13+,14+/m1/s1", + "name": "Chrysanthetriol", + "names": [ + "Chrysanthetriol" + ] + }, + { + "compound_id": "C17611", + "inchi": "InChI=1S/C10H18O/c1-7(2)5-8-9(6-11)10(8,3)4/h5,8-9,11H,6H2,1-4H3", + "name": "Chrysanthemol", + "names": [ + "Chrysanthemol" + ] + }, + { + "compound_id": "C17612", + "inchi": "InChI=1S/C15H24O3/c1-11-6-7-12(10-13(11)16)15(4,18)9-5-8-14(2,3)17/h5-6,8,12,17-18H,7,9-10H2,1-4H3/b8-5+/t12-,15+/m0/s1", + "name": "Indicumenone", + "names": [ + "Indicumenone" + ] + }, + { + "compound_id": "C17614", + "inchi": "InChI=1S/C19H34O10/c1-3-5-6-7-10(4-2)28-19-17(25)15(23)14(22)12(29-19)9-27-18-16(24)13(21)11(20)8-26-18/h4,10-25H,2-3,5-9H2,1H3/t10-,11+,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1", + "name": "1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside", + "names": [ + "1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside" + ] + }, + { + "compound_id": "C17615", + "inchi": "InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)", + "name": "Kukoamine A", + "names": [ + "Kukoamine A" + ] + }, + { + "compound_id": "C17616", + "inchi": "InChI=1S/C28H42N4O6/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)", + "name": "Kukoamine B", + "names": [ + "Kukoamine B" + ] + }, + { + "compound_id": "C17617", + "inchi": "InChI=1S/C28H42N4O6/c29-13-3-17-31(27(37)11-7-21-5-9-23(33)25(35)19-21)15-1-2-16-32(18-4-14-30)28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,33-36H,1-4,7-8,11-18,29-30H2", + "name": "Kukoamine C", + "names": [ + "Kukoamine C" + ] + }, + { + "compound_id": "C17618", + "inchi": "InChI=1S/C28H42N4O6/c29-13-3-15-30-14-1-2-17-32(28(38)12-8-22-6-10-24(34)26(36)20-22)18-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)", + "name": "Kukoamine D", + "names": [ + "Kukoamine D" + ] + }, + { + "compound_id": "C17619", + "inchi": "InChI=1S/C17H18N2OS/c1-12(18(2)3)17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-12H,1-3H3", + "name": "10-(beta-Dimethylaminopropionyl)phenothiazine", + "names": [ + "10-(beta-Dimethylaminopropionyl)phenothiazine" + ] + }, + { + "compound_id": "C17620", + "inchi": "InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3", + "name": "Epomediol", + "names": [ + "2,6-Dihydroxycineol", + "Epomediol" + ] + }, + { + "compound_id": "C17621", + "inchi": "InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+", + "name": "10-Hydroxygeraniol", + "names": [ + "10-Hydroxygeraniol", + "8-Hydroxygeraniol" + ] + }, + { + "compound_id": "C17622", + "inchi": "InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+", + "name": "10-Oxogeranial", + "names": [ + "10-Oxogeranial", + "8-Oxogeranial" + ] + }, + { + "compound_id": "C17623", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m0/s1", + "name": "(-)-Pulegone", + "names": [ + "(-)-Pulegone" + ] + }, + { + "compound_id": "C17624", + "inchi": "InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1", + "name": "Cinnamtannin A1", + "names": [ + "Cinnamtannin A1", + "Proanthocyanidin C1", + "Procyanidin C1" + ] + }, + { + "compound_id": "C17625", + "inchi": "InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1", + "name": "Cinnamtannin A2", + "names": [ + "Cinnamtannin A2" + ] + }, + { + "compound_id": "C17626", + "inchi": "InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1", + "name": "Cinnamtannin A3", + "names": [ + "Cinnamtannin A3" + ] + }, + { + "compound_id": "C17627", + "inchi": null, + "name": "Prenyl diphosphate", + "names": [ + "Prenol pyrophosphate", + "Prenyl diphosphate" + ] + }, + { + "compound_id": "C17628", + "inchi": null, + "name": "Prenol", + "names": [ + "Prenol" + ] + }, + { + "compound_id": "C17629", + "inchi": "InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-/m1/s1", + "name": "Cinnamtannin B2", + "names": [ + "Cinnamtannin B2" + ] + }, + { + "compound_id": "C17631", + "inchi": "InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1", + "name": "Cinnamtannin B1", + "names": [ + "Cinnamtannin B1" + ] + }, + { + "compound_id": "C17632", + "inchi": "InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1", + "name": "Cinnamtannin D1", + "names": [ + "Cinnamtannin D1" + ] + }, + { + "compound_id": "C17633", + "inchi": "InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48+,49-,50+,51+,52+,53+,54+,55+,59+,60+/m0/s1", + "name": "Cinnamtannin D2", + "names": [ + "Cinnamtannin D2" + ] + }, + { + "compound_id": "C17634", + "inchi": "InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h7-8,10,12-17,19-21H,3-6H2,1-2H3/b9-7+", + "name": "Schizonepetoside A", + "names": [ + "Schizonepetoside A" + ] + }, + { + "compound_id": "C17635", + "inchi": "InChI=1S/C16H26O7/c1-8-3-4-9(10(18)5-8)16(2)7-21-15-14(23-16)13(20)12(19)11(6-17)22-15/h8-9,11-15,17,19-20H,3-7H2,1-2H3", + "name": "Schizonepetoside B", + "names": [ + "Schizonepetoside B" + ] + }, + { + "compound_id": "C17636", + "inchi": "InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h8,12-17,19-21H,3-7H2,1-2H3/b10-9+", + "name": "Schizonepetoside C", + "names": [ + "Schizonepetoside C" + ] + }, + { + "compound_id": "C17637", + "inchi": "InChI=1S/C16H26O7/c1-8-3-4-10(11(18)5-8)9(2)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h8,10,12-17,19-21H,2-7H2,1H3", + "name": "Schizonepetoside D", + "names": [ + "Schizonepetoside D" + ] + }, + { + "compound_id": "C17638", + "inchi": "InChI=1S/C16H28O8/c1-8-3-4-9(10(18)5-8)16(2,22)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h8-9,11-15,17,19-22H,3-7H2,1-2H3", + "name": "Schizonepetoside E", + "names": [ + "Schizonepetoside E" + ] + }, + { + "compound_id": "C17639", + "inchi": "InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1", + "name": "Procyanidin B2", + "names": [ + "Procyanidin B2", + "Procyanidol B2" + ] + }, + { + "compound_id": "C17640", + "inchi": "InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29-,30-/m1/s1", + "name": "Procyanidin B5", + "names": [ + "Procyanidin B5", + "Procyanidol B5" + ] + }, + { + "compound_id": "C17641", + "inchi": "InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3/t11-,13+,15?,16+,17-,18-,19?,20-/m0/s1", + "name": "Cinncassiol C3", + "names": [ + "Cinncassiol C3" + ] + }, + { + "compound_id": "C17642", + "inchi": "InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3/t11-,14+,16?,17-,18-,19?,20-/m0/s1", + "name": "Cinncassiol C2", + "names": [ + "Cinncassiol C2" + ] + }, + { + "compound_id": "C17643", + "inchi": "InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3/t10-,11-,14+,16?,17-,18-,19?,20-/m0/s1", + "name": "Cinncassiol C1", + "names": [ + "Cinncassiol C1" + ] + }, + { + "compound_id": "C17644", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1", + "name": "Ursocholate", + "names": [ + "3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid", + "3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid", + "7-Epicholic acid", + "7beta-Hydroxyisocholic acid", + "Ursocholate", + "Ursocholic acid" + ] + }, + { + "compound_id": "C17645", + "inchi": "InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3/t10-,11?,15+,16-,17-,18+,19+,20+/m0/s1", + "name": "Cinncassiol A", + "names": [ + "Cinncassiol A" + ] + }, + { + "compound_id": "C17646", + "inchi": "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1", + "name": "12-Epideoxycholic acid", + "names": [ + "12-Epideoxycholate", + "12-Epideoxycholic acid" + ] + }, + { + "compound_id": "C17647", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1", + "name": "alpha-Muricholate", + "names": [ + "3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic acid", + "5beta-Cholanic acid-3alpha,6beta,7alpha-triol", + "alpha-Muricholate", + "alpha-Muricholic acid" + ] + }, + { + "compound_id": "C17649", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1", + "name": "Hyocholate", + "names": [ + "3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid", + "6alpha-Hydroxychenodeoxycholic acid", + "Hyocholate", + "Hyocholic acid", + "Iocholic acid", + "alpha-Hyocholic acid", + "gamma-Muricholate" + ] + }, + { + "compound_id": "C17650", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20+,22+,23-,24+/m1/s1", + "name": "Vulpecholate", + "names": [ + "1alpha,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid", + "Vulpecholate", + "Vulpecholic acid" + ] + }, + { + "compound_id": "C17651", + "inchi": "InChI=1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1", + "name": "alpha-Phocaecholic acid", + "names": [ + "3alpha,7alpha,12alpha,23R-Tetrahydroxycholanic acid", + "alpha-Phocaecholic acid" + ] + }, + { + "compound_id": "C17652", + "inchi": "InChI=1S/C20H32O5/c1-10(8-21)12-7-13-16(2)9-19(23)18(12,4)20(13,24)15(25-19)14-11(16)5-6-17(14,3)22/h10-15,21-24H,5-9H2,1-4H3/t10-,11-,12-,13-,14+,15+,16-,17-,18+,19?,20+/m0/s1", + "name": "Cinncassiol D1", + "names": [ + "Cinncassiol D1" + ] + }, + { + "compound_id": "C17653", + "inchi": "InChI=1S/C20H32O6/c1-10(8-21)11-7-12-15(2)9-19(24)17(11,4)20(12,25)14(26-19)13-16(3,22)5-6-18(13,15)23/h10-14,21-25H,5-9H2,1-4H3/t10-,11-,12-,13+,14+,15+,16-,17+,18+,19-,20+/m0/s1", + "name": "Cinncassiol D2", + "names": [ + "Cinncassiol D2" + ] + }, + { + "compound_id": "C17654", + "inchi": "InChI=1S/C24H40O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20-,21+,23+,24-/m1/s1", + "name": "beta-Phocaecholate", + "names": [ + "(23R)-Hydroxychenodeoxycholate", + "beta-Phocaecholate", + "beta-Phocaecholic acid" + ] + }, + { + "compound_id": "C17655", + "inchi": "InChI=1S/C20H32O6/c1-9(7-21)11-5-13-16(3)8-19(24)17(11,4)20(13,25)15(26-19)14-10(2)12(22)6-18(14,16)23/h9-15,21-25H,5-8H2,1-4H3/t9-,10?,11-,12-,13-,14-,15+,16+,17+,18+,19-,20+/m0/s1", + "name": "Cinncassiol D3", + "names": [ + "Cinncassiol D3" + ] + }, + { + "compound_id": "C17656", + "inchi": "InChI=1S/C20H32O5/c1-9(2)11-6-13-16(4)8-19(23)17(11,5)20(13,24)15(25-19)14-10(3)12(21)7-18(14,16)22/h9-15,21-24H,6-8H2,1-5H3/t10-,11+,12+,13+,14+,15-,16-,17-,18-,19?,20-/m1/s1", + "name": "Cinncassiol D4", + "names": [ + "Cinncassiol D4" + ] + }, + { + "compound_id": "C17657", + "inchi": "InChI=1S/C24H40O5/c1-13(10-20(26)22(28)29)17-6-7-18-16-5-4-14-11-15(25)8-9-23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1", + "name": "Bitocholate", + "names": [ + "Bitocholate", + "Bitocholic acid" + ] + }, + { + "compound_id": "C17658", + "inchi": "InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1", + "name": "Isolithocholate", + "names": [ + "3-Epilithocholic acid", + "3beta-Hydroxy-5beta-cholan-24-oic acid", + "Isolithocholate", + "Isolithocholic acid", + "beta-Lithocholanic acid", + "beta-Lithocholic acid" + ] + }, + { + "compound_id": "C17659", + "inchi": "InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3/t10-,11+,12+,13-,14-,15?,16?,17+,18+,19-,20-/m1/s1", + "name": "Cinncassiol E", + "names": [ + "Cinncassiol E" + ] + }, + { + "compound_id": "C17660", + "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1", + "name": "Isochenodeoxycholate", + "names": [ + "3beta,7alpha-Dihydroxy-5beta-cholanic acid", + "Isochenodeoxycholate", + "Isochenodeoxycholic acid" + ] + }, + { + "compound_id": "C17661", + "inchi": "InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", + "name": "Isodeoxycholate", + "names": [ + "7alpha,12alpha-Dihydroxy-5beta-cholanic acid", + "7alpha,12alpha-Dihydroxycholanoic acid", + "Isodeoxycholate", + "Isodeoxycholic acid" + ] + }, + { + "compound_id": "C17662", + "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1", + "name": "Isoursodeoxycholate", + "names": [ + "3beta,7beta-Dihydroxy-5beta-cholan-24-oic acid", + "3beta,7beta-Dihydroxy-5beta-cholanoic acid", + "Isoursodeoxycholate", + "Isoursodeoxycholic acid" + ] + }, + { + "compound_id": "C17663", + "inchi": "InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3", + "name": "3-Phenylpropyl acetate", + "names": [ + "3-Phenylpropyl acetate", + "Hydrocinnamyl acetate" + ] + }, + { + "compound_id": "C17664", + "inchi": "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1", + "name": "Allochenodeoxycholate", + "names": [ + "3alpha,7alpha-Dihydroxy-5alpha-cholanoic acid", + "Allochenodeoxycholate", + "Allochenodeoxycholic acid" + ] + }, + { + "compound_id": "C17665", + "inchi": "InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3", + "name": "2-Phenylpropyl acetate", + "names": [ + "2-Phenylpropyl acetate" + ] + }, + { + "compound_id": "C17666", + "inchi": "InChI=1S/C11H14O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3", + "name": "1-Phenylpropyl acetate", + "names": [ + "1-Phenylpropyl acetate", + "\\)-1-Phenyl-1-propyl acetate", + "\\)-1-phenyl-1-propyl acetate" + ] + }, + { + "compound_id": "C17667", + "inchi": "InChI=1S/C24H40O5/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,21-,22+,23+,24+/m1/s1", + "name": "Avicholate", + "names": [ + "Avicholate", + "Avicholic acid" + ] + }, + { + "compound_id": "C17668", + "inchi": "InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19-,20+,22-,23-,24+/m0/s1", + "name": "Haemulcholate", + "names": [ + "3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic acid", + "Haemulcholate", + "Hemulcholic acid" + ] + }, + { + "compound_id": "C17669", + "inchi": "InChI=1S/C19H18O7/c1-8-6-9-12(18(25-4)14(8)20)16(22)13-10(15(9)21)7-11(23-2)17(24-3)19(13)26-5/h6-7,20H,1-5H3", + "name": "Chryso-obtusin", + "names": [ + "Chryso-obtusin" + ] + }, + { + "compound_id": "C17670", + "inchi": "InChI=1S/C17H14O7/c1-6-4-7-11(17(24-3)12(6)19)14(21)10-8(13(7)20)5-9(18)16(23-2)15(10)22/h4-5,18-19,22H,1-3H3", + "name": "Aurantio-obtusin", + "names": [ + "Aurantio-obtusin" + ] + }, + { + "compound_id": "C17671", + "inchi": "InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,15,17-18H,1H3", + "name": "Norrubrofusarin", + "names": [ + "Norrubrofusarin" + ] + }, + { + "compound_id": "C17672", + "inchi": "InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3", + "name": "Torachrysone", + "names": [ + "Torachrysone" + ] + }, + { + "compound_id": "C17673", + "inchi": "InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3", + "name": "Toralactone", + "names": [ + "Toralactone" + ] + }, + { + "compound_id": "C17674", + "inchi": "InChI=1S/C39H52O25/c1-11-3-14(42)22-15(58-11)5-12-4-13(55-2)6-16(21(12)27(22)47)59-38-32(52)29(49)24(44)19(62-38)10-57-37-34(54)35(26(46)18(8-41)61-37)64-39-33(53)30(50)25(45)20(63-39)9-56-36-31(51)28(48)23(43)17(7-40)60-36/h3-6,17-20,23-26,28-41,43-54H,7-10H2,1-2H3/t17-,18-,19-,20-,23-,24-,25-,26-,28+,29+,30+,31-,32-,33-,34-,35?,36-,37-,38-,39?/m1/s1", + "name": "Cassiaside B2", + "names": [ + "Cassiaside B2" + ] + }, + { + "compound_id": "C17675", + "inchi": "InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12-,14+,17+,18-,19+,21-/m0/s1", + "name": "Neocarthamin", + "names": [ + "Neocarthamin" + ] + }, + { + "compound_id": "C17676", + "inchi": "InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12-,14-,15-/m1/s1", + "name": "Cryptomeridiol", + "names": [ + "Cryptomeridiol", + "Proximadiol" + ] + }, + { + "compound_id": "C17678", + "inchi": "InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+", + "name": "Magnoloside A", + "names": [ + "Magnoloside A" + ] + }, + { + "compound_id": "C17679", + "inchi": "InChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+", + "name": "Magnoloside B", + "names": [ + "Magnoloside B" + ] + }, + { + "compound_id": "C17680", + "inchi": "InChI=1S/C41H56O25/c1-15-26(49)29(52)32(55)39(60-15)66-37-36(64-25(48)7-4-16-2-5-18(44)20(46)10-16)28(51)24(63-41(37)58-9-8-17-3-6-19(45)21(47)11-17)14-59-38-34(57)31(54)35(23(13-43)62-38)65-40-33(56)30(53)27(50)22(12-42)61-40/h2-7,10-11,15,22-24,26-47,49-57H,8-9,12-14H2,1H3/b7-4+", + "name": "Magnoloside C", + "names": [ + "Magnoloside C" + ] + }, + { + "compound_id": "C17682", + "inchi": "InChI=1S/C42H46O12/c1-46-32-10-7-24(17-35(32)47-2)13-28-22-52-41(44)30(28)15-25-8-11-33(36(18-25)48-3)54-34-12-9-26(19-37(34)49-4)16-31-29(23-53-42(31)45)14-27-20-38(50-5)40(43)39(21-27)51-6/h7-12,17-21,28-31,43H,13-16,22-23H2,1-6H3", + "name": "Neoarctin A", + "names": [ + "Neoarctin A" + ] + }, + { + "compound_id": "C17683", + "inchi": "InChI=1S/C42H46O12/c1-47-33-15-23(11-27-21-53-41(45)31(27)13-25-17-35(49-3)39(43)36(18-25)50-4)7-9-29(33)30-10-8-24(16-34(30)48-2)12-28-22-54-42(46)32(28)14-26-19-37(51-5)40(44)38(20-26)52-6/h7-10,15-20,27-28,31-32,43-44H,11-14,21-22H2,1-6H3", + "name": "Neoarctin B", + "names": [ + "Neoarctin B" + ] + }, + { + "compound_id": "C17684", + "inchi": "InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1", + "name": "Lappaol A", + "names": [ + "Lappaol A" + ] + }, + { + "compound_id": "C17685", + "inchi": "InChI=1S/C31H34O9/c1-35-25-8-5-17(12-27(25)37-3)9-20-16-39-31(34)21(20)10-18-11-22-23(15-32)29(40-30(22)28(13-18)38-4)19-6-7-24(33)26(14-19)36-2/h5-8,11-14,20-21,23,29,32-33H,9-10,15-16H2,1-4H3/t20-,21+,23-,29+/m0/s1", + "name": "Lappaol B", + "names": [ + "Lappaol B" + ] + }, + { + "compound_id": "C17686", + "inchi": "InChI=1S/C30H34O10/c1-37-25-11-16(4-6-23(25)32)9-20-19(15-40-30(20)36)8-17-10-21(29(35)27(12-17)39-3)22(14-31)28(34)18-5-7-24(33)26(13-18)38-2/h4-7,10-13,19-20,22,28,31-35H,8-9,14-15H2,1-3H3/t19-,20+,22?,28?/m0/s1", + "name": "Lappaol C", + "names": [ + "Lappaol C" + ] + }, + { + "compound_id": "C17687", + "inchi": "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1", + "name": "Allodeoxycholate", + "names": [ + "3alpha,12alpha-Dihydroxy-5alpha-cholanoic acid", + "5alpha-Deoxycholic acid", + "Allodeoxycholate" + ] + }, + { + "compound_id": "C17689", + "inchi": "InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t24-,25+,26-,27?,28?,29?,30+,31-,34?,36-,37-,38?,42-,44+,45-/m1/s1", + "name": "Ursodeoxycholoyl-CoA", + "names": [ + "3alpha,7beta-Dihydroxy-5beta-cholanoyl-CoA", + "Ursodeoxycholoyl-CoA" + ] + }, + { + "compound_id": "C17690", + "inchi": "InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3", + "name": "4-(4-Hydroxyphenyl)-2-butanol", + "names": [ + "4-(4-Hydroxyphenyl)-2-butanol", + "4-HPB", + "Betuligenol", + "Rhododendrol" + ] + }, + { + "compound_id": "C17691", + "inchi": "InChI=1/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5-,6+,7-/m1/s1", + "name": "2-epi-5-epi-Valiolone", + "names": [ + "2-epi-5-epi-Valiolone" + ] + }, + { + "compound_id": "C17692", + "inchi": "InChI=1/C7H13O9P/c8-3-1-7(12,2-16-17(13,14)15)6(11)5(10)4(3)9/h4-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5-,6+,7-/m1/s1/f/h13-14H", + "name": "2-epi-5-epi-Valiolone 7-phosphate", + "names": [ + "2-epi-5-epi-Valiolone 7-phosphate" + ] + }, + { + "compound_id": "C17693", + "inchi": "InChI=1/C7H13O9P/c8-3-1-7(12,2-16-17(13,14)15)6(11)5(10)4(3)9/h4-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-,7+/m0/s1/f/h13-14H", + "name": "5-epi-Valiolone 7-phosphate", + "names": [ + "5-epi-Valiolone 7-phosphate" + ] + }, + { + "compound_id": "C17694", + "inchi": "InChI=1/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7+/m0/s1", + "name": "5-epi-Valiolone", + "names": [ + "5-epi-Valiolone" + ] + }, + { + "compound_id": "C17701", + "inchi": "InChI=1S/C17H33N3O11/c18-4-1-5(19)15(31-17-12(26)9(23)6(22)3-28-17)13(27)14(4)30-16-8(20)11(25)10(24)7(2-21)29-16/h4-17,21-27H,1-3,18-20H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13-,14+,15-,16+,17+/m0/s1", + "name": "Gentamicin A2", + "names": [ + "Gentamicin A2" + ] + }, + { + "compound_id": "C17702", + "inchi": "InChI=1S/C19H38N4O10/c1-19(29)5-30-18(13(28)16(19)23-2)33-15-7(21)3-6(20)14(12(15)27)32-17-9(22)11(26)10(25)8(4-24)31-17/h6-18,23-29H,3-5,20-22H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1", + "name": "Gentamicin X2", + "names": [ + "Gentamicin X2" + ] + }, + { + "compound_id": "C17703", + "inchi": "InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1", + "name": "Antibiotic G-418", + "names": [ + "Antibiotic G-418", + "G418", + "Geneticin" + ] + }, + { + "compound_id": "C17704", + "inchi": "InChI=1S/C19H39N5O9/c1-19(29)5-30-18(13(28)16(19)24-2)33-15-7(22)3-6(21)14(12(15)27)32-17-9(23)11(26)10(25)8(4-20)31-17/h6-18,24-29H,3-5,20-23H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1", + "name": "Antibiotic JI-20A", + "names": [ + "Antibiotic JI-20A", + "JI-20A" + ] + }, + { + "compound_id": "C17705", + "inchi": "InChI=1S/C20H41N5O9/c1-6(21)14-11(27)10(26)9(24)18(32-14)33-15-7(22)4-8(23)16(12(15)28)34-19-13(29)17(25-3)20(2,30)5-31-19/h6-19,25-30H,4-5,21-24H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1", + "name": "Antibiotic JI-20B", + "names": [ + "Antibiotic JI-20B", + "JI-20B" + ] + }, + { + "compound_id": "C17706", + "inchi": "InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1", + "name": "Gentamicin C2b", + "names": [ + "Gentamicin C2b", + "Sagamicin" + ] + }, + { + "compound_id": "C17707", + "inchi": "InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1", + "name": "Lividomycin A", + "names": [ + "Lividomycin A" + ] + }, + { + "compound_id": "C17708", + "inchi": "InChI=1S/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+/m0/s1", + "name": "Fortimicin A", + "names": [ + "Astromicin", + "Fortimicin A" + ] + }, + { + "compound_id": "C17709", + "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9-,10-,11-,12+,13+,14+,15+/m0/s1", + "name": "Fortimicin B", + "names": [ + "Fortimicin B" + ] + }, + { + "compound_id": "C17710", + "inchi": "InChI=1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11-,12-,14+,15+,16+,17+/m0/s1", + "name": "Sannamycin A", + "names": [ + "Istamycin A", + "Sannamycin A" + ] + }, + { + "compound_id": "C17711", + "inchi": "InChI=1S/C15H32N4O4/c1-18-7-8-4-5-9(16)15(22-8)23-14-10(17)6-11(21-3)12(19-2)13(14)20/h8-15,18-20H,4-7,16-17H2,1-3H3/t8-,9+,10-,11-,12+,13+,14+,15+/m0/s1", + "name": "Sannamycin B", + "names": [ + "Istamycin A0", + "Sannamycin B" + ] + }, + { + "compound_id": "C17712", + "inchi": "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", + "name": "Paromomycin II", + "names": [ + "Neomycin F", + "Paromomycin II" + ] + }, + { + "compound_id": "C17713", + "inchi": null, + "name": "dl-alpha-Tocopheryl sodium phosphate", + "names": [ + "dl-alpha-Tocopheryl sodium phosphate" + ] + }, + { + "compound_id": "C17714", + "inchi": "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)", + "name": "Heptanoic acid", + "names": [ + "Heptanoate", + "Heptanoic acid", + "heptanoate" + ] + }, + { + "compound_id": "C17715", + "inchi": "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)", + "name": "Undecanoic acid", + "names": [ + "Hendecanoic acid", + "Undecanoic acid" + ] + }, + { + "compound_id": "C17716", + "inchi": "InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,10-11,17-18H,1-2,5-9,12H2/b11-10-/t17-/m1/s1", + "name": "Dehydrofalcarinol", + "names": [ + "Dehydrofalcarinol" + ] + }, + { + "compound_id": "C17717", + "inchi": "InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,8H2", + "name": "5-Phenyl-1,3-pentadiyne", + "names": [ + "5-Phenyl-1,3-pentadiyne" + ] + }, + { + "compound_id": "C17718", + "inchi": "InChI=1/C10H11N3O3S.Na/c1-7-6-16-12-10(7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3,(H,12,13);/f/h13H;", + "name": "Sulfamethoxazole sodium", + "names": [ + "Sulfamethoxazole sodium" + ] + }, + { + "compound_id": "C17719", + "inchi": "InChI=1S/C10H20N6O12/c17-13(18)25-7-3-11(4-8-26-14(19)20)1-2-12(5-9-27-15(21)22)6-10-28-16(23)24/h1-10H2", + "name": "Tenitramine", + "names": [ + "Tenitramine" + ] + }, + { + "compound_id": "C17720", + "inchi": "InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)", + "name": "Difenpiramide", + "names": [ + "Difenpiramide" + ] + }, + { + "compound_id": "C17721", + "inchi": "InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2", + "name": "Vinyl ether", + "names": [ + "Vinyl ether" + ] + }, + { + "compound_id": "C17722", + "inchi": "InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)", + "name": "Narcobarbital", + "names": [ + "Narcobarbital" + ] + }, + { + "compound_id": "C17723", + "inchi": "InChI=1S/C13H20N2O2/c1-10(2)9-15-6-7-17-13(16)11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9,14H2,1-2H3", + "name": "Metabutethamine", + "names": [ + "Metabutethamine" + ] + }, + { + "compound_id": "C17724", + "inchi": "InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3", + "name": "Ethadione", + "names": [ + "Ethadione" + ] + }, + { + "compound_id": "C17725", + "inchi": "InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)", + "name": "Heptabarbital", + "names": [ + "Heptabarbital" + ] + }, + { + "compound_id": "C17726", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1", + "name": "beta-Muricholate", + "names": [ + "3alpha,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid", + "5beta-Cholanic acid-3alpha,6beta,7beta-triol", + "beta-Muricholate", + "beta-Muricholic acid" + ] + }, + { + "compound_id": "C17727", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1", + "name": "omega-Muricholate", + "names": [ + "omega-Muricholate", + "omega-Muricholic acid" + ] + }, + { + "compound_id": "C17728", + "inchi": "InChI=1S/C24H29N3O4/c1-30-20-10-6-18(7-11-20)24(19-8-12-21(31-2)13-9-19)22(28)27(23(29)25-24)17-16-26-14-4-3-5-15-26/h6-13H,3-5,14-17H2,1-2H3,(H,25,29)", + "name": "Idanpramine", + "names": [ + "Idanpramine" + ] + }, + { + "compound_id": "C17729", + "inchi": "InChI=1S/C20H18N2O/c23-20(18-12-7-13-21-15-18)22-19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-13,15,19H,14H2,(H,22,23)", + "name": "Nicofetamide", + "names": [ + "N-(1,2-Diphenylethyl)nicotinamide", + "Nicofetamide" + ] + }, + { + "compound_id": "C17730", + "inchi": "InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)", + "name": "Piperidione", + "names": [ + "3,3-Diethyl-2,4-dioxopiperidine", + "Piperidione" + ] + }, + { + "compound_id": "C17731", + "inchi": "InChI=1S/C20H23N7O7.Na/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+1/p-1/t12?,13-;/m0./s1", + "name": "Sodium folinate", + "names": [ + "Sodium folinate" + ] + }, + { + "compound_id": "C17732", + "inchi": "InChI=1S/Mg.O2/c;1-2/q+2;-2", + "name": "Magnesium peroxide", + "names": [ + "Magnesium peroxide" + ] + }, + { + "compound_id": "C17733", + "inchi": "InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18-,19?,20?,21?,22?,23?,24+,25+,27+,28+/m0/s1", + "name": "7-Oxateasterone", + "names": [ + "(22R,23R,24S)-3beta,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one", + "7-Oxateasterone" + ] + }, + { + "compound_id": "C17734", + "inchi": "InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1", + "name": "Acetoxolone", + "names": [ + "Acetoxolone", + "Acetylglycyrrhetinic acid" + ] + }, + { + "compound_id": "C17735", + "inchi": "InChI=1S/C28H48O5/c1-15(2)16(3)24(30)25(31)17(4)20-7-8-21-19-14-33-26(32)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-25,29-31H,7-14H2,1-6H3/t16-,17-,18+,19?,20?,21?,22?,23?,24+,25+,27+,28+/m0/s1", + "name": "7-Oxatyphasterol", + "names": [ + "(22R,23R,24S)-3alpha,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one", + "7-Oxatyphasterol" + ] + }, + { + "compound_id": "C17737", + "inchi": "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1", + "name": "Allocholic acid", + "names": [ + "3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholanoic acid", + "Allocholate", + "Allocholic acid" + ] + }, + { + "compound_id": "C17740", + "inchi": "InChI=1S/C32H44N7O19P3S/c1-32(2,27(45)30(46)35-10-9-22(42)34-11-12-62-23(43)13-20(41)8-5-18-3-6-19(40)7-4-18)15-55-61(52,53)58-60(50,51)54-14-21-26(57-59(47,48)49)25(44)31(56-21)39-17-38-24-28(33)36-16-37-29(24)39/h3-8,16-17,21,25-27,31,40,44-45H,9-15H2,1-2H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b8-5+/t21-,25-,26-,27?,31-/m1/s1", + "name": "p-Coumaroyl-diketide-CoA", + "names": [ + "p-Coumaroyl-diketide-CoA" + ] + }, + { + "compound_id": "C17741", + "inchi": "InChI=1S/C33H46N7O20P3S/c1-33(2,28(46)31(47)36-9-8-23(43)35-10-11-64-24(44)13-19(41)6-4-18-5-7-20(42)21(12-18)55-3)15-57-63(53,54)60-62(51,52)56-14-22-27(59-61(48,49)50)26(45)32(58-22)40-17-39-25-29(34)37-16-38-30(25)40/h4-7,12,16-17,22,26-28,32,42,45-46H,8-11,13-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/b6-4+/t22-,26-,27-,28?,32-/m1/s1", + "name": "Feruloyl-diketide-CoA", + "names": [ + "Feruloyl-diketide-CoA" + ] + }, + { + "compound_id": "C17742", + "inchi": "InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21,23-24H,1H3/b9-4+,10-5+,18-13-", + "name": "Demethoxycurcumin", + "names": [ + "Demethoxycurcumin" + ] + }, + { + "compound_id": "C17743", + "inchi": "InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13-", + "name": "Bisdemethoxycurcumin", + "names": [ + "Bisdemethoxycurcumin" + ] + }, + { + "compound_id": "C17744", + "inchi": "InChI=1S/C16H20O3/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-12,17-18H,2-5H2,1H3/b11-8+,15-12-", + "name": "1-(4-Hydroxyphenyl)-1-decene-3,5-dione", + "names": [ + "1-(4-Hydroxyphenyl)-1-decene-3,5-dione" + ] + }, + { + "compound_id": "C17745", + "inchi": "InChI=1S/C16H20O4/c1-2-3-4-5-13(17)11-14(18)8-6-12-7-9-15(19)16(20)10-12/h6-11,17,19-20H,2-5H2,1H3/b8-6+,13-11-", + "name": "1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione", + "names": [ + "1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione" + ] + }, + { + "compound_id": "C17746", + "inchi": "InChI=1S/C17H22O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h7-12,18,20H,3-6H2,1-2H3/b9-7+,14-12-", + "name": "1-Dehydro-[6]-gingerdione", + "names": [ + "1-Dehydro-[6]-gingerdione" + ] + }, + { + "compound_id": "C17747", + "inchi": "InChI=1S/C16H24O3/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,15,17-18H,2-5,8,11-12H2,1H3", + "name": "5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone", + "names": [ + "5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone" + ] + }, + { + "compound_id": "C17748", + "inchi": "InChI=1S/C16H24O4/c1-2-3-4-5-13(17)11-14(18)8-6-12-7-9-15(19)16(20)10-12/h7,9-10,13,17,19-20H,2-6,8,11H2,1H3", + "name": "1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone", + "names": [ + "1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone" + ] + }, + { + "compound_id": "C17749", + "inchi": "InChI=1S/C27H30O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-13,23-29,31-34H,14H2,1-2H3/b7-3+,8-4+,17-13-/t23-,24-,25+,26-,27-/m1/s1", + "name": "Curcumin monoglucoside", + "names": [ + "Curcumin monoglucoside" + ] + }, + { + "compound_id": "C17750", + "inchi": "InChI=1S/C33H40O16/c1-44-22-11-16(5-9-20(22)46-32-30(42)28(40)26(38)24(14-34)48-32)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(15-35)49-33/h3-13,24-36,38-43H,14-15H2,1-2H3/b7-3+,8-4+,18-13-/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1", + "name": "Curcumin diglucoside", + "names": [ + "Curcumin diglucoside" + ] + }, + { + "compound_id": "C17751", + "inchi": "InChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)/t7-,10+,11+,12-,13+,15+/m0/s1", + "name": "cyclo-Dopa 5-O-glucoside", + "names": [ + "cyclo-Dopa 5-O-glucoside" + ] + }, + { + "compound_id": "C17752", + "inchi": "InChI=1S/C21H27NO15/c23-4-10-11(25)13(27)17(37-20-15(29)12(26)14(28)16(36-20)19(32)33)21(35-10)34-9-2-5-1-7(18(30)31)22-6(5)3-8(9)24/h2-3,7,10-17,20-29H,1,4H2,(H,30,31)(H,32,33)/t7-,10+,11+,12-,13-,14-,15+,16-,17?,20?,21+/m0/s1", + "name": "cyclo-Dopa-glucuronylglucoside", + "names": [ + "cyclo-Dopa-glucuronylglucoside" + ] + }, + { + "compound_id": "C17753", + "inchi": "InChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1", + "name": "Dopaxanthin quinone", + "names": [ + "Dopaxanthin quinone" + ] + }, + { + "compound_id": "C17754", + "inchi": "InChI=1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7-/t14-/m0/s1", + "name": "3-Methoxytyramine-betaxanthin", + "names": [ + "3-Methoxytyramine-betaxanthin" + ] + }, + { + "compound_id": "C17755", + "inchi": "InChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2", + "name": "Dopamine quinone", + "names": [ + "Dopamine quinone" + ] + }, + { + "compound_id": "C17756", + "inchi": "InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2", + "name": "2-Descarboxy-cyclo-dopa", + "names": [ + "2-Descarboxy-cyclo-dopa", + "5,6-Indolinediol", + "Indoline-5,6-diol" + ] + }, + { + "compound_id": "C17757", + "inchi": "InChI=1S/C17H16N2O6/c20-14-7-10-2-4-19(13(10)8-15(14)21)3-1-9-5-11(16(22)23)18-12(6-9)17(24)25/h1,3,5,7-8,12H,2,4,6H2,(H4,20,21,22,23,24,25)/p+1/t12-/m0/s1", + "name": "2-Descarboxy-betanidin", + "names": [ + "2-Descarboxy-betanidin" + ] + }, + { + "compound_id": "C17758", + "inchi": "InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1", + "name": "4,5-seco-Dopa", + "names": [ + "4,5-seco-Dopa" + ] + }, + { + "compound_id": "C17759", + "inchi": "InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1", + "name": "1-O-Feruloyl-beta-D-glucose", + "names": [ + "1-Feruloyl-D-glucose", + "1-O-Feruloyl-beta-D-glucose" + ] + }, + { + "compound_id": "C17764", + "inchi": "InChI=1S/C30H46O5/c1-25(2)20-8-11-30(7)23(27(20,4)10-9-21(25)32)19(31)14-17-18-15-28(5,24(34)35)22(33)16-26(18,3)12-13-29(17,30)6/h14,18,20-23,32-33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20-,21-,22+,23+,26-,27-,28-,29+,30+/m0/s1", + "name": "Glabric acid", + "names": [ + "Glabric acid" + ] + }, + { + "compound_id": "C17765", + "inchi": "InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3", + "name": "Licoricone", + "names": [ + "Licoricone" + ] + }, + { + "compound_id": "C17770", + "inchi": "InChI=1S/C21H34O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,12,14-16,22-27H,5-11H2,1-3H3/t12-,14-,15+,16+,17-,18+,19+,20-,21+/m0/s1", + "name": "Sarcostin", + "names": [ + "Sarcostin" + ] + }, + { + "compound_id": "C17771", + "inchi": "InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1", + "name": "Lithospermoside", + "names": [ + "Griffonin", + "Lithospermoside" + ] + }, + { + "compound_id": "C17772", + "inchi": "InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27-,29+/m0/s1", + "name": "Gambiriin A1", + "names": [ + "Gambiriin A1" + ] + }, + { + "compound_id": "C17773", + "inchi": "InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27-,29-/m0/s1", + "name": "Gambiriin A2", + "names": [ + "Gambiriin A2" + ] + }, + { + "compound_id": "C17774", + "inchi": "InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-23(38)27(12-1-3-17(32)21(36)5-12)28-24(39)11-26-16(29(28)41)10-25(40)30(42-26)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-41H,9-10H2/t23-,25-,27-,30+/m0/s1", + "name": "Gambiriin A3", + "names": [ + "Gambiriin A3" + ] + }, + { + "compound_id": "C17775", + "inchi": "InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)22(37)5-12)28-26(40-25)11-21(36)16-9-24(39)29(41-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24-25,27,29,31-39H,9-10H2/t24-,25-,27-,29+/m0/s1", + "name": "Gambiriin B1", + "names": [ + "Gambiriin B1" + ] + }, + { + "compound_id": "C17776", + "inchi": "InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)22(37)5-12)28-26(40-25)11-21(36)16-9-24(39)29(41-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24-25,27,29,31-39H,9-10H2/t24-,25-,27-,29-/m0/s1", + "name": "Gambiriin B2", + "names": [ + "Gambiriin B2" + ] + }, + { + "compound_id": "C17777", + "inchi": "InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2/t23-,25+,27-,30+/m0/s1", + "name": "Gambiriin B3", + "names": [ + "Gambiriin B3" + ] + }, + { + "compound_id": "C17778", + "inchi": "InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1", + "name": "Isobarbaloin", + "names": [ + "Aloin B", + "Isobarbaloin" + ] + }, + { + "compound_id": "C17779", + "inchi": "InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16-,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1", + "name": "Aloinoside A", + "names": [ + "Aloinoside A" + ] + }, + { + "compound_id": "C17780", + "inchi": "InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1", + "name": "Aloinoside B", + "names": [ + "Aloinoside B" + ] + }, + { + "compound_id": "C17781", + "inchi": "InChI=1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1", + "name": "2''-o-p-Coumaroylaloesin", + "names": [ + "2''-o-p-Coumaroylaloesin" + ] + }, + { + "compound_id": "C17782", + "inchi": "InChI=1S/C11H14O2/c1-4-5-9-6-10(12-2)8-11(7-9)13-3/h4,6-8H,1,5H2,2-3H3", + "name": "3,5-Dimethoxyallylbenzene", + "names": [ + "3,5-Dimethoxyallylbenzene" + ] + }, + { + "compound_id": "C17783", + "inchi": "InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9,11,13H,7,10H2,1H3", + "name": "Capillanol", + "names": [ + "Capillanol" + ] + }, + { + "compound_id": "C17784", + "inchi": "InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3", + "name": "4'-Methylcapillarisin", + "names": [ + "4'-Methylcapillarisin", + "5,7-Dihydroxy-4',6-dimethoxyflavone" + ] + }, + { + "compound_id": "C17785", + "inchi": "InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3", + "name": "7-Methylcapillarisin", + "names": [ + "7-Methylcapillarisin", + "Cirsimaritin", + "Scrophulein" + ] + }, + { + "compound_id": "C17786", + "inchi": "InChI=1S/C15H10O6/c16-8-1-3-10(4-2-8)20-14-7-12(19)15-11(18)5-9(17)6-13(15)21-14/h1-7,16-18H", + "name": "6-Demethoxycapillarisin", + "names": [ + "6-Demethoxycapillarisin" + ] + }, + { + "compound_id": "C17787", + "inchi": "InChI=1S/C18H16O8/c1-23-13-4-8(9(19)5-10(13)20)12-6-11(21)16-14(26-12)7-15(24-2)18(25-3)17(16)22/h4-7,19-20,22H,1-3H3", + "name": "Arcapillin", + "names": [ + "Arcapillin" + ] + }, + { + "compound_id": "C17788", + "inchi": "InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)17(11)24-2)13(20)15(22)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-19,21-22H,1-2H3", + "name": "Eupatolitin", + "names": [ + "Eupatolitin" + ] + }, + { + "compound_id": "C17789", + "inchi": "InChI=1S/C19H24O4/c1-13(2)4-7-16-10-15(6-9-18(21)22)11-17(19(16)23)8-5-14(3)12-20/h4-6,9-11,20,23H,7-8,12H2,1-3H3,(H,21,22)/b9-6+,14-5+", + "name": "Capillartemisin A", + "names": [ + "Capillartemisin A" + ] + }, + { + "compound_id": "C17790", + "inchi": "InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1", + "name": "Dehydrocorydaline", + "names": [ + "Dehydrocorydaline" + ] + }, + { + "compound_id": "C17795", + "inchi": "InChI=1S/C19H24O4/c1-13(2)4-7-16-10-15(6-9-18(21)22)11-17(19(16)23)8-5-14(3)12-20/h4-6,9-11,20,23H,7-8,12H2,1-3H3,(H,21,22)/b9-6+,14-5-", + "name": "Capillartemisin B", + "names": [ + "Capillartemisin B" + ] + }, + { + "compound_id": "C17796", + "inchi": "InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,1H3", + "name": "Norcapillene", + "names": [ + "Norcapillene" + ] + }, + { + "compound_id": "C17803", + "inchi": "InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3", + "name": "Dimethyl suberate", + "names": [ + "Dimethyl suberate", + "Octanedioic acid dimethyl" + ] + }, + { + "compound_id": "C17808", + "inchi": "InChI=1S/C20H22O6/c1-23-17-5-3-11(7-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-18(24-2)16(22)8-12/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1", + "name": "Clemaphenol A", + "names": [ + "Clemaphenol A" + ] + }, + { + "compound_id": "C17809", + "inchi": "InChI=1S/C21H22O9/c1-8-3-11-12(4-9(8)2)28-13-5-10(23)6-14(16(13)17(11)24)29-21-20(27)19(26)18(25)15(7-22)30-21/h3-6,15,18-23,25-27H,7H2,1-2H3/t15-,18-,19+,20-,21-/m1/s1", + "name": "Polygonimitin B", + "names": [ + "Polygonimitin B" + ] + }, + { + "compound_id": "C17810", + "inchi": "InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2", + "name": "Citreorosein", + "names": [ + "Citreorosein", + "omega-Hydroxyemodin" + ] + }, + { + "compound_id": "C17811", + "inchi": "InChI=1S/C16H12O6/c1-22-12-5-8(18)4-10-14(12)16(21)13-9(15(10)20)2-7(6-17)3-11(13)19/h2-5,17-19H,6H2,1H3", + "name": "Questinol", + "names": [ + "1,6-Dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-anthracenedione", + "Questinol" + ] + }, + { + "compound_id": "C17812", + "inchi": "InChI=1S/C31H36O10/c1-37-25-8-5-17(12-27(25)39-3)9-20-16-41-31(36)21(20)10-18-11-22(30(35)28(13-18)40-4)23(15-32)29(34)19-6-7-24(33)26(14-19)38-2/h5-8,11-14,20-21,23,29,32-35H,9-10,15-16H2,1-4H3", + "name": "Lappaol D", + "names": [ + "Lappaol D" + ] + }, + { + "compound_id": "C17813", + "inchi": null, + "name": "Activin A", + "names": [ + "Activin A" + ] + }, + { + "compound_id": "C17814", + "inchi": "InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1", + "name": "Gomisin B", + "names": [ + "Gomisin B", + "Schisantherin B" + ] + }, + { + "compound_id": "C17821", + "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3", + "name": "2,4,5-Trimethoxy-1-allylbenzene", + "names": [ + "2,4,5-Trimethoxy-1-allylbenzene", + "gamma-Asarone" + ] + }, + { + "compound_id": "C17822", + "inchi": "InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3", + "name": "3,4,5-Trimethoxytoluene", + "names": [ + "3,4,5-Trimethoxytoluene" + ] + }, + { + "compound_id": "C17823", + "inchi": "InChI=1S/C10H14O3/c1-7-5-9(12-3)10(13-4)6-8(7)11-2/h5-6H,1-4H3", + "name": "2,4,5-Trimethoxytoluene", + "names": [ + "2,4,5-Trimethoxytoluene" + ] + }, + { + "compound_id": "C17824", + "inchi": "InChI=1S/C10H14O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h4,6-8,11H,1-3H3/t6-,7+,8+/m1/s1", + "name": "(+/-)-Asarinol A", + "names": [ + "(+/-)-Asarinol A" + ] + }, + { + "compound_id": "C17825", + "inchi": "InChI=1S/C10H14O3/c1-9(2)4-5(9)7(11)10(3,12)8-6(4)13-8/h4-6,8,12H,1-3H3/t4-,5+,6+,8+,10-/m1/s1", + "name": "(+/-)-Asarinol B", + "names": [ + "(+/-)-Asarinol B" + ] + }, + { + "compound_id": "C17826", + "inchi": "InChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3", + "name": "Hexahydrocurcumin", + "names": [ + "Hexahydrocurcumin" + ] + }, + { + "compound_id": "C17827", + "inchi": "InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+", + "name": "Hydroxy-gamma-sanshool", + "names": [ + "Hydroxy-gamma-sanshool" + ] + }, + { + "compound_id": "C17834", + "inchi": "InChI=1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)22(35)19(14)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1", + "name": "Spinosin", + "names": [ + "Spinosin" + ] + }, + { + "compound_id": "C17840", + "inchi": "InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+", + "name": "Dehydrozingerone", + "names": [ + "Dehydrozingerone" + ] + }, + { + "compound_id": "C17843", + "inchi": "InChI=1S/C12H8O4/c1-6-4-8(13)11-10(16-6)5-9-7(12(11)14)2-3-15-9/h2-5,14H,1H3", + "name": "Norvisnagin", + "names": [ + "Norvisnagin" + ] + }, + { + "compound_id": "C17846", + "inchi": "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+", + "name": "alpha-Asaron", + "names": [ + "alpha-Asaron" + ] + }, + { + "compound_id": "C17847", + "inchi": "InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3/t13-,14-,23+,24+/m1/s1", + "name": "Magnosalin", + "names": [ + "Magnosalin" + ] + }, + { + "compound_id": "C17877", + "inchi": "InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3", + "name": "Dioxation", + "names": [ + "Dioxation" + ] + }, + { + "compound_id": "C17879", + "inchi": "InChI=1S/C15H10N2O3/c1-20-14-11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(19)13(14)18/h2-7,18H,1H3", + "name": "Nigakinone", + "names": [ + "Nigakinone" + ] + }, + { + "compound_id": "C17881", + "inchi": "InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1", + "name": "Zhebeinine", + "names": [ + "Zhebeinine" + ] + }, + { + "compound_id": "C17883", + "inchi": "InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3", + "name": "4-Vinylguaiacol", + "names": [ + "4-Vinylguaiacol" + ] + }, + { + "compound_id": "C17890", + "inchi": "InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1", + "name": "Euscaphic acid", + "names": [ + "Euscaphic acid" + ] + }, + { + "compound_id": "C17891", + "inchi": "InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,25+,26+,27+/m1/s1", + "name": "Cryptogenin", + "names": [ + "Cryptogenin", + "Kryptogenin" + ] + }, + { + "compound_id": "C17898", + "inchi": "InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3", + "name": "Sinactine", + "names": [ + "Sinactine" + ] + }, + { + "compound_id": "C17899", + "inchi": "InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,10,12-13,22H,6-9H2,1-3H3/t12-,13+,19-/m1/s1", + "name": "Isosinomenine", + "names": [ + "Isosinomenine" + ] + }, + { + "compound_id": "C17900", + "inchi": "InChI=1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m1/s1", + "name": "Menisdaurilide", + "names": [ + "Menisdaurilide" + ] + }, + { + "compound_id": "C17901", + "inchi": "InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1", + "name": "Simiarenol", + "names": [ + "Simiarenol" + ] + }, + { + "compound_id": "C17902", + "inchi": "InChI=1S/C11H13NO2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1", + "name": "Ephedroxane", + "names": [ + "Ephedroxane" + ] + }, + { + "compound_id": "C17903", + "inchi": "InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11+/m0/s1", + "name": "(+)-N-methylpseudoephedrine", + "names": [ + "(+)-N-methylpseudoephedrine" + ] + }, + { + "compound_id": "C17904", + "inchi": "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7-,9-/m0/s1", + "name": "alpha-Allokainic acid", + "names": [ + "alpha-Allokainic acid" + ] + }, + { + "compound_id": "C17912", + "inchi": "InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12+,13-,14-/m0/s1", + "name": "Isozaluzanin C", + "names": [ + "Isozaluzanin C" + ] + }, + { + "compound_id": "C17913", + "inchi": "InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,11-14H,1,3-4,6-7H2,2H3/t11-,12-,13-,14-/m0/s1", + "name": "Isodehydrocostus lactone", + "names": [ + "Isodehydrocostus lactone" + ] + }, + { + "compound_id": "C17914", + "inchi": "InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1", + "name": "Nootkatone", + "names": [ + "Nootkatone" + ] + }, + { + "compound_id": "C17915", + "inchi": "InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,14+,15+/m1/s1", + "name": "Nootkatol", + "names": [ + "Nootkatol" + ] + }, + { + "compound_id": "C17916", + "inchi": "InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3", + "name": "Coixinden A", + "names": [ + "Coixinden A" + ] + }, + { + "compound_id": "C17917", + "inchi": "InChI=1S/C13H14O4/c1-8(14)13(15)7-12(17-3)10-6-9(16-2)4-5-11(10)13/h4-7,15H,1-3H3", + "name": "Coixinden B", + "names": [ + "Coixinden B" + ] + }, + { + "compound_id": "C17918", + "inchi": "InChI=1S/C40H44O20/c1-4-21-22-13-14-51-36(49)24(22)16-53-38(21)60-40-34(59-35(48)20-9-6-5-7-10-20)33(54-19(3)43)32(27(57-40)17-52-18(2)42)58-37(50)23-11-8-12-25(28(23)44)55-39-31(47)30(46)29(45)26(15-41)56-39/h4-12,16,21-22,26-27,29-34,38-41,44-47H,1,13-15,17H2,2-3H3/t21-,22+,26-,27-,29-,30+,31-,32-,33+,34-,38+,39-,40+/m1/s1", + "name": "Scabraside", + "names": [ + "Scabraside" + ] + }, + { + "compound_id": "C17919", + "inchi": "InChI=1S/C35H42O21/c1-5-18-32(49-12-19-31(45)47-10-9-35(18,19)46)56-34-29(51-16(4)39)28(50-15(3)38)27(22(54-34)13-48-14(2)37)55-30(44)17-7-6-8-20(23(17)40)52-33-26(43)25(42)24(41)21(11-36)53-33/h5-8,12,18,21-22,24-29,32-34,36,40-43,46H,1,9-11,13H2,2-4H3/t18-,21+,22+,24+,25-,26+,27+,28-,29+,32-,33+,34-,35+/m0/s1", + "name": "Rindoside", + "names": [ + "Rindoside" + ] + }, + { + "compound_id": "C17920", + "inchi": "InChI=1S/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-14,16-17H,5-11H2,1-4H3,(H,21,22)/t14-,16+,17-,19-,20-/m1/s1", + "name": "Dihydroabietic acid", + "names": [ + "Dihydroabietic acid" + ] + }, + { + "compound_id": "C17921", + "inchi": "InChI=1S/C45H72O20/c1-17-11-26(49)45(58-16-17)18(2)27-38(65-45)31(52)28-21-6-5-19-12-20(7-9-43(19,3)22(21)8-10-44(27,28)4)59-40-36(57)34(55)37(25(15-48)62-40)63-42-39(33(54)30(51)24(14-47)61-42)64-41-35(56)32(53)29(50)23(13-46)60-41/h5,17-18,20-42,46-57H,6-16H2,1-4H3", + "name": "Scopoloside I", + "names": [ + "Scopoloside I" + ] + }, + { + "compound_id": "C17922", + "inchi": "InChI=1S/C39H62O15/c1-16-11-24(42)39(49-15-16)17(2)25-34(54-39)28(44)26-20-6-5-18-12-19(7-9-37(18,3)21(20)8-10-38(25,26)4)50-35-32(48)30(46)33(23(14-41)52-35)53-36-31(47)29(45)27(43)22(13-40)51-36/h5,16-17,19-36,40-48H,6-15H2,1-4H3", + "name": "Scopoloside II", + "names": [ + "Scopoloside II" + ] + }, + { + "compound_id": "C17925", + "inchi": "InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3", + "name": "Nordephrine", + "names": [ + "Nordephrine", + "alpha-Methylnoradrenaline", + "alpha-Methylnorepinephrine" + ] + }, + { + "compound_id": "C17926", + "inchi": "InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2", + "name": "2-Pyridinemethanamine", + "names": [ + "2-Pyridinemethanamine" + ] + }, + { + "compound_id": "C17927", + "inchi": "InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2", + "name": "Thiazolylethylamine", + "names": [ + "2-(2-Aminoethyl)thiazole", + "Thiazolylethylamine" + ] + }, + { + "compound_id": "C17928", + "inchi": "InChI=1S/C6H11N3/c1-5-8-4-6(9-5)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)", + "name": "2-Methylhistamine", + "names": [ + "2-Methylhistamine" + ] + }, + { + "compound_id": "C17929", + "inchi": "InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)", + "name": "4-Methylhistamine", + "names": [ + "4-Methylhistamine" + ] + }, + { + "compound_id": "C17930", + "inchi": "InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)", + "name": "Dimaprit", + "names": [ + "Dimaprit" + ] + }, + { + "compound_id": "C17931", + "inchi": "InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)", + "name": "Imetit", + "names": [ + "Imetit" + ] + }, + { + "compound_id": "C17932", + "inchi": "InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)", + "name": "Immepip", + "names": [ + "Immepip" + ] + }, + { + "compound_id": "C17933", + "inchi": "InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)", + "name": "Thioperamide", + "names": [ + "Thioperamide" + ] + }, + { + "compound_id": "C17934", + "inchi": "InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)", + "name": "Clobenpropit", + "names": [ + "Clobenpropit" + ] + }, + { + "compound_id": "C17935", + "inchi": "InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1", + "name": "Cysteinyldopa", + "names": [ + "5-S-Cysteinyl-DOPA", + "Cysteinyldopa" + ] + }, + { + "compound_id": "C17936", + "inchi": null, + "name": "Phaeomelanin", + "names": [ + "Phaeomelanin" + ] + }, + { + "compound_id": "C17937", + "inchi": null, + "name": "Eumelanin", + "names": [ + "Eumelanin" + ] + }, + { + "compound_id": "C17938", + "inchi": "InChI=1S/C9H5NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10H,(H,13,14)", + "name": "5,6-Indolequinone-2-carboxylic acid", + "names": [ + "5,6-Indolequinone-2-carboxylic acid" + ] + }, + { + "compound_id": "C17939", + "inchi": "InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1", + "name": "10-Hydroxycamptothecin", + "names": [ + "10-Hydroxycamptothecin" + ] + }, + { + "compound_id": "C17940", + "inchi": "InChI=1S/C16H31N6O7P/c1-9(2)12(17)14(24)21-10(5-3-7-20-16(18)19)13(23)22-11(15(25)26)6-4-8-30(27,28)29/h4,6,9-12H,3,5,7-8,17H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)(H2,27,28,29)/t10-,11-,12?/m0/s1", + "name": "Rhizocticin B", + "names": [ + "Rhizocticin B" + ] + }, + { + "compound_id": "C17941", + "inchi": "InChI=1S/C4H7O6P/c5-3(4(6)7)1-2-11(8,9)10/h1-2H2,(H,6,7)(H2,8,9,10)", + "name": "2-Oxo-4-phosphonobutanoate", + "names": [ + "2-Oxo-4-phosphonobutanoate", + "2-Oxo-4-phosphonobutanoic acid" + ] + }, + { + "compound_id": "C17942", + "inchi": "InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)", + "name": "FR 900098", + "names": [ + "(3-(Acetylhydroxyamino)propyl)phosphonic acid", + "FR 900098" + ] + }, + { + "compound_id": "C17943", + "inchi": "InChI=1S/CH3O4P/c2-1-6(3,4)5/h1H,(H2,3,4,5)", + "name": "Formylphosphonate", + "names": [ + "Formylphosphonate", + "Formylphosphonic acid", + "Phosphonoformaldehyde" + ] + }, + { + "compound_id": "C17944", + "inchi": "InChI=1S/C11H22N5O6P/c12-7(3-1-5-15-11(13)14)9(17)16-8(10(18)19)4-2-6-23(20,21)22/h2,4,7-8H,1,3,5-6,12H2,(H,16,17)(H,18,19)(H4,13,14,15)(H2,20,21,22)/t7-,8-/m0/s1", + "name": "Rhizocticin A", + "names": [ + "Rhizocticin A" + ] + }, + { + "compound_id": "C17945", + "inchi": "InChI=1S/C10H15N3O12P2/c11-5-1-2-13(9(16)12-5)8-7(15)6(14)4(24-8)3-23-27(21,22)25-26(19,20)10(17)18/h1-2,4,6-8,14-15H,3H2,(H,17,18)(H,19,20)(H,21,22)(H2,11,12,16)/t4-,6-,7-,8-/m1/s1", + "name": "Phosphonoformyl-CMP", + "names": [ + "Phosphonoformyl-CMP" + ] + }, + { + "compound_id": "C17946", + "inchi": "InChI=1S/C4H5O7P/c5-2(3(6)7)1-12(10,11)4(8)9/h1H2,(H,6,7)(H,8,9)(H,10,11)", + "name": "Carboxyphosphonopyruvate", + "names": [ + "Carboxyphosphonopyruvate" + ] + }, + { + "compound_id": "C17947", + "inchi": "InChI=1S/C5H9O7P/c6-3(7)1-5(10,4(8)9)2-13(11)12/h10,13H,1-2H2,(H,6,7)(H,8,9)(H,11,12)", + "name": "2-Phosphinomethylmalate", + "names": [ + "2-Phosphinomethylmalate", + "2-Phosphinomethylmalic acid" + ] + }, + { + "compound_id": "C17948", + "inchi": "InChI=1S/C4H7O5P/c5-3(4(6)7)1-2-10(8)9/h10H,1-2H2,(H,6,7)(H,8,9)", + "name": "Deamino-alpha-keto-demethylphosphinothricin", + "names": [ + "4-(Hydroxyphosphinyl)-2-oxobutyric acid", + "Deamino-alpha-keto-demethylphosphinothricin" + ] + }, + { + "compound_id": "C17949", + "inchi": "InChI=1S/C6H12NO5P/c1-4(8)7-5(6(9)10)2-3-13(11)12/h5,13H,2-3H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t5-/m0/s1", + "name": "N-Acetyldemethylphosphinothricin", + "names": [ + "N-Acetyldemethylphosphinothricin", + "N-Adpt" + ] + }, + { + "compound_id": "C17950", + "inchi": "InChI=1S/C12H22N3O7P/c1-6(10(17)14-7(2)12(19)20)13-11(18)9(15-8(3)16)4-5-23(21)22/h6-7,9,23H,4-5H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)(H,21,22)/t6-,7-,9-/m0/s1", + "name": "N-Acetyldemethylphosphinothricin tripeptide", + "names": [ + "N-Acetyldemethylphosphinothricin tripeptide" + ] + }, + { + "compound_id": "C17951", + "inchi": "InChI=1S/C13H24N3O7P/c1-7(11(18)15-8(2)13(20)21)14-12(19)10(16-9(3)17)5-6-24(4,22)23/h7-8,10H,5-6H2,1-4H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)(H,22,23)/t7-,8-,10-/m0/s1", + "name": "N-Acetylbialaphos", + "names": [ + "N-Acetylbialaphos", + "N-Acetylphosphinothricin tripeptide" + ] + }, + { + "compound_id": "C17952", + "inchi": "InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1", + "name": "N-Acetylphosphinothricin", + "names": [ + "L-N-Acetylphosphinothricin", + "N-Acetyl-L-Glufosinate", + "N-Acetylphinothricin", + "N-Acetylphosphinothricin" + ] + }, + { + "compound_id": "C17953", + "inchi": "InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1", + "name": "(5S)-Albaflavenol", + "names": [ + "(5S)-Albaflavenol" + ] + }, + { + "compound_id": "C17954", + "inchi": "InChI=1S/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1", + "name": "Albaflavenone", + "names": [ + "Albaflavenone" + ] + }, + { + "compound_id": "C17955", + "inchi": "InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12+,15+/m0/s1", + "name": "(5R)-Albaflavenol", + "names": [ + "(5R)-Albaflavenol" + ] + }, + { + "compound_id": "C17956", + "inchi": "InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13?,14-,15-,16-,18+,19+,20+/m0/s1", + "name": "Grandifloric acid", + "names": [ + "Grandifloric acid" + ] + }, + { + "compound_id": "C17957", + "inchi": "InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3", + "name": "Irigenin", + "names": [ + "Irigenin" + ] + }, + { + "compound_id": "C17958", + "inchi": "InChI=1S/C20H18O8/c1-22-13-5-10(6-14(23-2)18(13)24-3)11-8-26-12-7-15-19(28-9-27-15)20(25-4)16(12)17(11)21/h5-8H,9H2,1-4H3", + "name": "Irisflorentin", + "names": [ + "Irisflorentin" + ] + }, + { + "compound_id": "C17959", + "inchi": "InChI=1S/C67H112O16P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-78-84(74,75)83-85(76,77)82-67-64(73)65(61(70)59(46-68)80-67)81-66-63(72)62(71)60(69)58(13)79-66/h24,26,28,30,32,34,36,38,40,42,44,58-73H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,74,75)(H,76,77)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t58-,59+,60-,61-,62+,63+,64+,65-,66-,67+/m0/s1", + "name": "alpha-L-Rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol", + "names": [ + "alpha-L-Rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol" + ] + }, + { + "compound_id": "C17960", + "inchi": "InChI=1S/C17H33N6O7P/c1-3-10(2)13(18)15(25)22-11(6-4-8-21-17(19)20)14(24)23-12(16(26)27)7-5-9-31(28,29)30/h5,7,10-13H,3-4,6,8-9,18H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)(H4,19,20,21)(H2,28,29,30)/t10?,11-,12-,13?/m0/s1", + "name": "Rhizocticin C", + "names": [ + "Rhizocticin C" + ] + }, + { + "compound_id": "C17961", + "inchi": "InChI=1S/C17H33N6O7P/c1-10(2)9-11(18)14(24)22-12(5-3-7-21-17(19)20)15(25)23-13(16(26)27)6-4-8-31(28,29)30/h4,6,10-13H,3,5,7-9,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)(H2,28,29,30)/t11?,12-,13-/m0/s1", + "name": "Rhizocticin D", + "names": [ + "Rhizocticin D" + ] + }, + { + "compound_id": "C17962", + "inchi": "InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1", + "name": "Demethylphosphinothricin", + "names": [ + "(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid", + "Demethylphosphinothricin" + ] + }, + { + "compound_id": "C17963", + "inchi": "InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1", + "name": "Colchicoside", + "names": [ + "Colchicoside" + ] + }, + { + "compound_id": "C17964", + "inchi": "InChI=1S/C10H14N2O2/c1-2-9-7(5-14-10(9)13)3-8-4-11-6-12-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,12)/t7-,9-/m0/s1", + "name": "Pilocarpidine", + "names": [ + "Pilocarpidine" + ] + }, + { + "compound_id": "C17965", + "inchi": "InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-3,10H2,1H3/b9-8+", + "name": "trans-Lachnophyllol", + "names": [ + "trans-Lachnophyllol" + ] + }, + { + "compound_id": "C17966", + "inchi": "InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1", + "name": "Shionon", + "names": [ + "Shionon" + ] + }, + { + "compound_id": "C17967", + "inchi": "InChI=1S/C8H16N4O6/c9-7(10)12-1-2(13)4(15)5(16)6(3(1)14)18-8(11)17/h1-6,13-16H,(H2,11,17)(H4,9,10,12)/t1-,2-,3+,4+,5-,6-/m1/s1", + "name": "Bluensidine", + "names": [ + "Bluensidine" + ] + }, + { + "compound_id": "C17968", + "inchi": "InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1", + "name": "Kasugamycin", + "names": [ + "Kasugamycin" + ] + }, + { + "compound_id": "C17969", + "inchi": "InChI=1S/C25H46N8O10/c1-8(2)4-14(22(39)40)32-25(41)31-13(5-10-7-29-24(28)30-10)21(38)33-15-16(34)18(36)20(19(37)17(15)35)43-23-12(27)6-11(26)9(3)42-23/h8-20,23,34-37H,4-7,26-27H2,1-3H3,(H,33,38)(H,39,40)(H3,28,29,30)(H2,31,32,41)/t9-,10-,11+,12+,13+,14+,15-,16+,17+,18+,19-,20-,23-/m1/s1", + "name": "Minosaminomycin", + "names": [ + "Minosaminomycin" + ] + }, + { + "compound_id": "C17970", + "inchi": "InChI=1S/C15H26N2O7/c1-6-5-7(21-4)15(20)14(22-6)23-13-11(19)8(16-2)10(18)9(17-3)12(13)24-15/h5-6,8-14,16-20H,1-4H3/t6-,8-,9+,10+,11+,12-,13-,14?,15+/m1/s1", + "name": "Spenolimycin", + "names": [ + "Spenolimycin" + ] + }, + { + "compound_id": "C17971", + "inchi": "InChI=1S/C12H24N2O9/c13-3-6(17)8(19)9(20)10(21)11(3)23-12-4(14)7(18)5(16)2(1-15)22-12/h2-12,15-21H,1,13-14H2/t2-,3+,4-,5-,6+,7-,8-,9+,10-,11-,12-/m1/s1", + "name": "Fortimicin FU-10", + "names": [ + "Fortimicin FU-10" + ] + }, + { + "compound_id": "C17972", + "inchi": "InChI=1S/C13H27N3O8/c1-16-6-10(21)8(19)4(14)12(11(6)22)24-13-5(15)9(20)7(18)3(2-17)23-13/h3-13,16-22H,2,14-15H2,1H3/t3-,4+,5-,6+,7-,8+,9-,10+,11-,12-,13-/m1/s1", + "name": "Fortimicin AO", + "names": [ + "Fortimicin AO" + ] + }, + { + "compound_id": "C17973", + "inchi": "InChI=1S/C13H28N4O7/c1-17-6-10(21)8(19)4(15)12(11(6)22)24-13-5(16)9(20)7(18)3(2-14)23-13/h3-13,17-22H,2,14-16H2,1H3/t3-,4+,5-,6+,7-,8+,9-,10+,11-,12-,13-/m1/s1", + "name": "Fortimicin KL1", + "names": [ + "Fortimicin KL1" + ] + }, + { + "compound_id": "C17974", + "inchi": "InChI=1S/C14H30N4O7/c1-3(15)12-11(23)8(20)5(17)14(24-12)25-13-4(16)7(19)9(21)6(18-2)10(13)22/h3-14,18-23H,15-17H2,1-2H3/t3-,4-,5+,6-,7-,8+,9-,10+,11-,12+,13+,14+/m0/s1", + "name": "Fortimicin KK1", + "names": [ + "Fortimicin KK1" + ] + }, + { + "compound_id": "C17975", + "inchi": "InChI=1S/C14H30N4O5/c1-5(15)7-4-3-6(16)14(22-7)23-13-8(17)10(19)11(20)9(18-2)12(13)21/h5-14,18-21H,3-4,15-17H2,1-2H3/t5-,6+,7-,8-,9-,10-,11-,12+,13+,14+/m0/s1", + "name": "Fortimicin AP", + "names": [ + "Fortimicin AP" + ] + }, + { + "compound_id": "C17976", + "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9-,10+,11-,12+,13+,14-,15+/m0/s1", + "name": "Fortimicin KH", + "names": [ + "Fortimicin KH" + ] + }, + { + "compound_id": "C17977", + "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9-,10+,11-,12+,13+,14+,15+/m0/s1", + "name": "Fortimicin KR", + "names": [ + "Fortimicin KR" + ] + }, + { + "compound_id": "C17978", + "inchi": "InChI=1S/C15H32N4O5/c1-6(16)8-5-4-7(17)15(23-8)24-13-9(18)11(20)14(22-3)10(19-2)12(13)21/h6-15,19-21H,4-5,16-18H2,1-3H3/t6-,7+,8-,9+,10-,11-,12+,13+,14+,15+/m0/s1", + "name": "1-epi-Fortimicin B", + "names": [ + "1-epi-Fortimicin B" + ] + }, + { + "compound_id": "C17979", + "inchi": "InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12-,13-,14-,15+,16+,17+,18+/m0/s1", + "name": "Formimidoyl-fortimicin A", + "names": [ + "Dactimicin", + "Formimidoyl-fortimicin A", + "SF-2052" + ] + }, + { + "compound_id": "C17980", + "inchi": "InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12+,13-,14-,15+,16+,17+,18+/m0/s1", + "name": "1-Epidactimicin", + "names": [ + "1-Epidactimicin" + ] + }, + { + "compound_id": "C17981", + "inchi": "InChI=1S/C12H24N2O8/c13-3-1-4(16)7(17)10(20)11(3)22-12-6(14)9(19)8(18)5(2-15)21-12/h3-12,15-20H,1-2,13-14H2/t3-,4+,5+,6+,7-,8+,9+,10+,11+,12+/m0/s1", + "name": "Istamycin FU-10", + "names": [ + "Istamycin FU-10" + ] + }, + { + "compound_id": "C17982", + "inchi": "InChI=1S/C13H27N3O7/c1-16-8-5(18)2-4(14)12(11(8)21)23-13-7(15)10(20)9(19)6(3-17)22-13/h4-13,16-21H,2-3,14-15H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+/m0/s1", + "name": "Istamycin AO", + "names": [ + "Istamycin AO" + ] + }, + { + "compound_id": "C17983", + "inchi": "InChI=1S/C13H28N4O6/c1-17-8-5(18)2-4(15)12(11(8)21)23-13-7(16)10(20)9(19)6(3-14)22-13/h4-13,17-21H,2-3,14-16H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+/m0/s1", + "name": "Istamycin KL1", + "names": [ + "Istamycin KL1" + ] + }, + { + "compound_id": "C17984", + "inchi": "InChI=1S/C13H28N4O4/c1-17-10-9(18)4-8(16)12(11(10)19)21-13-7(15)3-2-6(5-14)20-13/h6-13,17-19H,2-5,14-16H2,1H3/t6-,7+,8-,9+,10-,11+,12+,13+/m0/s1", + "name": "Istamycin AP", + "names": [ + "Istamycin AP" + ] + }, + { + "compound_id": "C17985", + "inchi": "InChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3/t7-,8+,9-,10+,11-,12+,13+,14+/m0/s1", + "name": "Istamycin Y0", + "names": [ + "Istamycin Y0" + ] + }, + { + "compound_id": "C17986", + "inchi": "InChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3/t7-,8+,9-,10-,11-,12+,13+,14+/m0/s1", + "name": "Istamycin X0", + "names": [ + "Istamycin X0", + "Sannamycin G" + ] + }, + { + "compound_id": "C17987", + "inchi": "InChI=1S/C18H35N5O6/c1-21-7-10-4-5-11(19)18(28-10)29-17-12(20)6-13(27-3)15(16(17)26)23(2)14(25)8-22-9-24/h9-13,15-18,21,26H,4-8,19-20H2,1-3H3,(H,22,24)/t10-,11+,12-,13-,15+,16+,17+,18+/m0/s1", + "name": "Istamycin A1", + "names": [ + "Istamycin A1" + ] + }, + { + "compound_id": "C17988", + "inchi": "InChI=1S/C18H36N6O6/c1-22-7-9-4-5-10(19)17(29-9)30-16-11(20)6-12(28-3)14(15(16)26)24(2)13(25)8-23-18(21)27/h9-12,14-17,22,26H,4-8,19-20H2,1-3H3,(H3,21,23,27)/t9-,10+,11-,12-,14+,15+,16+,17+/m0/s1", + "name": "Istamycin A2", + "names": [ + "Istamycin A2" + ] + }, + { + "compound_id": "C17989", + "inchi": "InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)/t10-,11+,12-,13-,15+,16+,17+,18+/m0/s1", + "name": "Istamycin A3", + "names": [ + "Istamycin A3" + ] + }, + { + "compound_id": "C17990", + "inchi": "InChI=1S/C15H32N4O4/c1-18-7-8-4-5-9(16)15(22-8)23-14-10(17)6-11(21-3)12(19-2)13(14)20/h8-15,18-20H,4-7,16-17H2,1-3H3/t8-,9+,10+,11-,12+,13+,14+,15+/m0/s1", + "name": "Istamycin B0", + "names": [ + "Istamycin B0" + ] + }, + { + "compound_id": "C17991", + "inchi": "InChI=1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11+,12-,14+,15+,16+,17+/m0/s1", + "name": "Istamycin B", + "names": [ + "Istamycin B" + ] + }, + { + "compound_id": "C17992", + "inchi": "InChI=1S/C18H35N5O6/c1-21-7-10-4-5-11(19)18(28-10)29-17-12(20)6-13(27-3)15(16(17)26)23(2)14(25)8-22-9-24/h9-13,15-18,21,26H,4-8,19-20H2,1-3H3,(H,22,24)/t10-,11+,12+,13-,15+,16+,17+,18+/m0/s1", + "name": "Istamycin B1", + "names": [ + "Istamycin B1" + ] + }, + { + "compound_id": "C17993", + "inchi": "InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)/t10-,11+,12+,13-,15+,16+,17+,18+/m0/s1", + "name": "Istamycin B3", + "names": [ + "Istamycin B3" + ] + }, + { + "compound_id": "C17994", + "inchi": "InChI=1S/C16H34N4O4/c1-4-20-8-9-5-6-10(17)16(23-9)24-15-11(18)7-12(22-3)13(19-2)14(15)21/h9-16,19-21H,4-8,17-18H2,1-3H3/t9-,10+,11-,12-,13+,14+,15+,16+/m0/s1", + "name": "Istamycin C0", + "names": [ + "Istamycin C0" + ] + }, + { + "compound_id": "C17995", + "inchi": "InChI=1S/C18H37N5O5/c1-4-22-9-10-5-6-11(20)18(27-10)28-17-12(21)7-13(26-3)15(16(17)25)23(2)14(24)8-19/h10-13,15-18,22,25H,4-9,19-21H2,1-3H3/t10-,11+,12-,13-,15+,16+,17+,18+/m0/s1", + "name": "Istamycin C", + "names": [ + "Istamycin C" + ] + }, + { + "compound_id": "C17996", + "inchi": "InChI=1S/C19H37N5O6/c1-4-22-8-11-5-6-12(20)19(29-11)30-18-13(21)7-14(28-3)16(17(18)27)24(2)15(26)9-23-10-25/h10-14,16-19,22,27H,4-9,20-21H2,1-3H3,(H,23,25)/t11-,12+,13-,14-,16+,17+,18+,19+/m0/s1", + "name": "Istamycin C1", + "names": [ + "Istamycin C1" + ] + }, + { + "compound_id": "C17997", + "inchi": "InChI=1S/C21H41N5O12/c1-26-9-13(31)18-17(37-20(9)38-21-15(33)11(29)7(24)6(3-27)34-21)12(30)8(25)19(36-18)35-16-5(23)2-4(22)10(28)14(16)32/h4-21,26-33H,2-3,22-25H2,1H3/t4-,5+,6-,7-,8-,9+,10+,11+,12-,13-,14-,15-,16-,17+,18-,19+,20-,21-/m1/s1", + "name": "Oxyapramycin", + "names": [ + "Oxyapramycin" + ] + }, + { + "compound_id": "C17998", + "inchi": "InChI=1S/C21H40N4O12/c1-25-10-13(29)18-8(33-20(10)37-21-16(32)14(30)12(28)9(4-26)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)11(27)15(17)31/h5-21,25-32H,2-4,22-24H2,1H3/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14+,15-,16-,17-,18+,19+,20-,21-/m1/s1", + "name": "Saccharocin", + "names": [ + "4''-Deamino-4''-hydroxyapramycin", + "KA-5685", + "Saccharocin" + ] + }, + { + "compound_id": "C17999", + "inchi": "InChI=1S/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-8(21)11(26)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1", + "name": "6-O-Glc-paromamine", + "names": [ + "6-O-Glc-paromamine" + ] + }, + { + "compound_id": "C18000", + "inchi": "InChI=1S/C19H38N6O11/c20-2-6-11(27)12(28)9(24)17(33-6)35-15-4(21)1-5(22)16(14(15)30)36-18-13(29)8(23)10(26)7(34-18)3-32-19(25)31/h4-18,26-30H,1-3,20-24H2,(H2,25,31)/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1", + "name": "Nebramycin factor 4", + "names": [ + "Nebramycin factor 4" + ] + }, + { + "compound_id": "C18001", + "inchi": "InChI=1S/C19H38N6O10/c20-3-9-8(26)2-7(23)17(32-9)34-15-5(21)1-6(22)16(14(15)29)35-18-13(28)11(24)12(27)10(33-18)4-31-19(25)30/h5-18,26-29H,1-4,20-24H2,(H2,25,30)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1", + "name": "Nebramycin factor 5'", + "names": [ + "Nebramycin factor 5'" + ] + }, + { + "compound_id": "C18002", + "inchi": "InChI=1S/C17H33N3O11/c18-4-1-5(19)14(30-16-8(20)12(26)10(24)6(2-21)28-16)15(9(4)23)31-17-13(27)11(25)7(3-22)29-17/h4-17,21-27H,1-3,18-20H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1", + "name": "5-Ribosylparomamine", + "names": [ + "5-Ribosylparomamine", + "Ribosylparomamine" + ] + }, + { + "compound_id": "C18003", + "inchi": "InChI=1S/C23H45N5O13/c24-3-10-15(33)16(34)13(28)22(36-10)40-19-12(5-30)38-23(17(19)35)41-20-14(32)6(25)1-7(26)18(20)39-21-8(27)2-9(31)11(4-29)37-21/h6-23,29-35H,1-5,24-28H2/t6-,7+,8-,9+,10+,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1", + "name": "Lividomycin B", + "names": [ + "Lividomycin B" + ] + }, + { + "compound_id": "C18004", + "inchi": "InChI=1S/C17H35N4O13P/c18-2-6-10(23)12(25)8(21)16(31-6)33-14-5(20)1-4(19)9(22)15(14)34-17-13(26)11(24)7(32-17)3-30-35(27,28)29/h4-17,22-26H,1-3,18-21H2,(H2,27,28,29)/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1", + "name": "5''-Phosphoribostamycin", + "names": [ + "5''-Phosphoribostamycin" + ] + }, + { + "compound_id": "C18005", + "inchi": "InChI=1S/C26H48N6O15/c27-6-12-17(37)19(39)15(30)25(44-12)46-21-9(29)5-10(16(36)22(21)47-26-20(40)18(38)13(7-33)45-26)32-23(41)11(34)3-4-31-14(35)2-1-8(28)24(42)43/h8-13,15-22,25-26,33-34,36-40H,1-7,27-30H2,(H,31,35)(H,32,41)(H,42,43)/t8-,9-,10+,11-,12+,13+,15+,16-,17+,18+,19+,20+,21+,22+,25+,26-/m0/s1", + "name": "gamma-L-Glutamyl-butirosin B", + "names": [ + "gamma-L-Glutamyl-butirosin B" + ] + }, + { + "compound_id": "C18006", + "inchi": null, + "name": "gamma-L-Glutamyl-[acp]", + "names": [ + "gamma-L-Glutamyl-ACP", + "gamma-L-Glutamyl-[acp]", + "gamma-L-Glutamyl-[acyl carrier protein]" + ] + }, + { + "compound_id": "C18007", + "inchi": null, + "name": "4-Aminobutyryl-[acp]", + "names": [ + "4-Aminobutyryl-[acp]", + "4-Aminobutyryl-[acyl carrier protein]", + "GABA-ACP" + ] + }, + { + "compound_id": "C18008", + "inchi": null, + "name": "gamma-L-Glutamyl-4-aminobutyryl-[acp]", + "names": [ + "gamma-L-Glutamyl-4-aminobutyryl-ACP", + "gamma-L-Glutamyl-4-aminobutyryl-[acp]", + "gamma-L-Glutamyl-4-aminobutyryl-[acyl carrier protein]" + ] + }, + { + "compound_id": "C18009", + "inchi": null, + "name": "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acp]", + "names": [ + "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-ACP", + "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acp]", + "gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acyl carrier protein]" + ] + }, + { + "compound_id": "C18010", + "inchi": "InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31+,32-,33-,34-,35-,36-/m0/s1", + "name": "Deltorphin A", + "names": [ + "Deltorphin A" + ] + }, + { + "compound_id": "C18011", + "inchi": "InChI=1S/C8H12O2/c1-8(7-10)5-3-2-4-6-9/h2-3,5-6,10H,4,7H2,1H3/b3-2+,8-5+", + "name": "7-Hydroxy-6-methylhepta-3,5-dienal", + "names": [ + "7-Hydroxy-6-methylhepta-3,5-dienal" + ] + }, + { + "compound_id": "C18012", + "inchi": "InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H", + "name": "Flaviolin", + "names": [ + "2,5,7-Trihydroxy-1,4-naphthalenedione", + "Flaviolin" + ] + }, + { + "compound_id": "C18013", + "inchi": "InChI=1S/C20H10O10/c21-5-1-7-11(9(23)3-5)17(27)13(19(29)15(7)25)14-18(28)12-8(16(26)20(14)30)2-6(22)4-10(12)24/h1-4,21-24,29-30H", + "name": "3,3'-Biflaviolin", + "names": [ + "3,3'-Biflaviolin" + ] + }, + { + "compound_id": "C18014", + "inchi": "InChI=1S/C20H10O10/c21-5-1-6-12(7(22)2-5)19(29)16(20(30)17(6)27)14-10(25)3-8(23)13-9(24)4-11(26)18(28)15(13)14/h1-4,21-23,25-26,30H", + "name": "3,8'-Biflaviolin", + "names": [ + "3,8'-Biflaviolin" + ] + }, + { + "compound_id": "C18015", + "inchi": "InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1", + "name": "Momilactone A", + "names": [ + "Momilactone A" + ] + }, + { + "compound_id": "C18016", + "inchi": "InChI=1S/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1", + "name": "3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide", + "names": [ + "3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide" + ] + }, + { + "compound_id": "C18017", + "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3", + "name": "8-p-Menthen-2-ol", + "names": [ + "1,6-Dihydrocarveol", + "6-Methyl-3-isopropenylcyclohexanol", + "8-p-Menthen-2-ol", + "Menth-8-en-2-ol" + ] + }, + { + "compound_id": "C18018", + "inchi": "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3", + "name": "p-Menth-8-en-2-one", + "names": [ + "2-Methyl-5-(1-methylethenyl)cyclohexanone", + "Menth-8-en-2-one", + "p-Menth-8-en-2-one" + ] + }, + { + "compound_id": "C18019", + "inchi": "InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3", + "name": "1-Hydroxy-p-Menth-8-en-2-one", + "names": [ + "1-Hydroxy-p-Menth-8-en-2-one", + "1-Hydroxymenth-8-en-2-one", + "2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone" + ] + }, + { + "compound_id": "C18020", + "inchi": "InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3", + "name": "p-Menth-8-ene-1,2-diol", + "names": [ + "1-Methyl-4-(1-methylethenyl)-1,2-cyclohexanediol", + "Menth-8-ene-1,2-diol", + "p-Menth-8-ene-1,2-diol" + ] + }, + { + "compound_id": "C18021", + "inchi": "InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1", + "name": "Pheophorbide a", + "names": [ + "Pheophorbide a" + ] + }, + { + "compound_id": "C18022", + "inchi": "InChI=1S/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12-14,17,21,23,30,36,38H,2,8,10-11H2,1,3-7H3,(H,39,44)(H,41,42)/b22-12-,24-13-/t17-,21-,23?,30+/m0/s1", + "name": "Red chlorophyll catabolite", + "names": [ + "Red chlorophyll catabolite" + ] + }, + { + "compound_id": "C18023", + "inchi": "InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1", + "name": "Sophoraflavanone B", + "names": [ + "8-Prenylnaringenin", + "Flavaprenin", + "Sophoraflavanone B" + ] + }, + { + "compound_id": "C18024", + "inchi": "InChI=1S/C20H20O6/c1-10(2)3-5-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)12-6-4-11(21)7-14(12)22/h3-4,6-8,18,21-24H,5,9H2,1-2H3/t18-/m0/s1", + "name": "Leachianone G", + "names": [ + "Leachianone G" + ] + }, + { + "compound_id": "C18025", + "inchi": "InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1", + "name": "(+)-Menthofuran", + "names": [ + "(+)-Menthofuran", + "(R)-Menthofuran" + ] + }, + { + "compound_id": "C18026", + "inchi": "InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13?,14-,17-,18-,19?,23-/m1/s1", + "name": "Ethylmalonyl-CoA", + "names": [ + "Ethylmalonyl coenzyme A", + "Ethylmalonyl-CoA" + ] + }, + { + "compound_id": "C18027", + "inchi": "InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1", + "name": "(4R,7S)-7-Isopropyl-4-methyloxepan-2-one", + "names": [ + "(4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone", + "(4R,7S)-7-Isopropyl-4-methyloxepan-2-one", + "Mentholactone" + ] + }, + { + "compound_id": "C18028", + "inchi": "InChI=1S/C6H10O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-5,7-9H,1H3/t2-,3+,4+,5-/m0/s1", + "name": "L-Fucono-1,5-lactone", + "names": [ + "L-Fucono-1,5-lactone" + ] + }, + { + "compound_id": "C18029", + "inchi": "InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-14,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-,14-/m1/s1", + "name": "dTDP-3-oxo-2,6-dideoxy-D-glucose", + "names": [ + "dTDP-(2,6-dideoxy-alpha-D-erythro-hexopyranos-3-ulos-1-yl) ester", + "dTDP-3-oxo-2,6-dideoxy-D-glucose" + ] + }, + { + "compound_id": "C18030", + "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9-,10+,11-,12-,13-,14-/m1/s1", + "name": "dTDP-2,6-dideoxy-D-kanosamine", + "names": [ + "dTDP-(3-amino-2,3,6-trideoxy-alpha-D-arabino-hexopyranosyl) ester", + "dTDP-2,6-dideoxy-D-kanosamine" + ] + }, + { + "compound_id": "C18031", + "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11-,12+,13-,14-,15-,16-/m1/s1", + "name": "dTDP-D-angolosamine", + "names": [ + "dTDP-D-angolosamine" + ] + }, + { + "compound_id": "C18032", + "inchi": "InChI=1S/C16H24N2O13P2/c1-8-6-18(16(22)17-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(19)9(2)28-14/h6,9,11-14,20H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,17,21,22)/t9-,11+,12-,13-,14-/m1/s1", + "name": "dTDP-4-oxo-2,3,6-trideoxy-D-glucose", + "names": [ + "dTDP-4-oxo-2,3,6-trideoxy-D-glucose", + "dTDP-[(2R,6R)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl] ester" + ] + }, + { + "compound_id": "C18033", + "inchi": "InChI=1S/C16H27N3O12P2/c1-8-6-19(16(22)18-15(8)21)13-5-11(20)12(29-13)7-27-32(23,24)31-33(25,26)30-14-4-3-10(17)9(2)28-14/h6,9-14,20H,3-5,7,17H2,1-2H3,(H,23,24)(H,25,26)(H,18,21,22)/t9-,10+,11+,12-,13-,14-/m1/s1", + "name": "dTDP-4-amino-2,3,4,6-tetradeoxy-D-glucose", + "names": [ + "dTDP-4-amino-2,3,4,6-tetradeoxy-D-glucose", + "dTDP-[(2R,5S,6R)-5-aminotetrahydro-6-methyl-2H-pyran-2-yl] ester" + ] + }, + { + "compound_id": "C18034", + "inchi": "InChI=1S/C18H31N3O12P2/c1-10-8-21(18(24)19-17(10)23)15-7-13(22)14(31-15)9-29-34(25,26)33-35(27,28)32-16-6-5-12(20(3)4)11(2)30-16/h8,11-16,22H,5-7,9H2,1-4H3,(H,25,26)(H,27,28)(H,19,23,24)/t11-,12+,13+,14-,15-,16-/m1/s1", + "name": "dTDP-D-forosamine", + "names": [ + "dTDP-D-forosamine", + "dTDP-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl] ester" + ] + }, + { + "compound_id": "C18035", + "inchi": "InChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10+,11-,12-,13-,17-/m1/s1", + "name": "dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose", + "names": [ + "dTDP-(2,6-dideoxy-3-C-methyl-alpha-D-threo-hexopyranos-4-ulos-1-yl) ester", + "dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose" + ] + }, + { + "compound_id": "C18036", + "inchi": "InChI=1S/C14H18O3/c1-14(2)5-3-4-8-6-9-10(7-15)13(16)17-12(9)11(8)14/h7,9,12,15H,3-6H2,1-2H3/b10-7+/t9-,12+/m1/s1", + "name": "Strigolactone ABC-rings", + "names": [ + "Strigolactone ABC-rings" + ] + }, + { + "compound_id": "C18037", + "inchi": "InChI=1S/C19H22O5/c1-10-7-14(23-17(10)20)22-9-13-12-8-11-5-4-6-19(2,3)15(11)16(12)24-18(13)21/h7,9,12,14,16H,4-6,8H2,1-3H3/b13-9+/t12-,14-,16+/m1/s1", + "name": "5-Deoxystrigol", + "names": [ + "5-Deoxystrigol" + ] + }, + { + "compound_id": "C18038", + "inchi": "InChI=1S/C21H32O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-19,23-24H,4-10H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1", + "name": "7alpha-Hydroxypregnenolone", + "names": [ + "3beta,7alpha-Dihydroxy-5-pregnen-20-one", + "7alpha-Hydroxypregnenolone" + ] + }, + { + "compound_id": "C18039", + "inchi": "InChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15?,17-,18+,19-,20-,21+/m0/s1", + "name": "Aldosterone hemiacetal", + "names": [ + "11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione", + "Aldosterone hemiacetal" + ] + }, + { + "compound_id": "C18040", + "inchi": "InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1", + "name": "5alpha-Dihydrodeoxycorticosterone", + "names": [ + "5alpha-Dihydrodeoxycorticosterone", + "5alpha-Pregnan-21-ol-3,20-dione", + "Allopregnane-21-ol-3,20-dione" + ] + }, + { + "compound_id": "C18041", + "inchi": "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "5alpha-Pregnan-20alpha-ol-3-one", + "names": [ + "5alpha-Pregnan-20alpha-ol-3-one", + "Allopregnan-20alpha-ol-3-one" + ] + }, + { + "compound_id": "C18042", + "inchi": "InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "5alpha-Pregnane-3alpha,20alpha-diol", + "names": [ + "5alpha-Pregnane-3alpha,20alpha-diol", + "Allopregnane-3alpha,20alpha-diol" + ] + }, + { + "compound_id": "C18043", + "inchi": "InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Cholesterol sulfate", + "names": [ + "Cholest-5-en-3beta-ol sulfate", + "Cholesterol sulfate" + ] + }, + { + "compound_id": "C18044", + "inchi": "InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1", + "name": "3beta-Hydroxypregn-5-en-20-one sulfate", + "names": [ + "3beta-Hydroxypregn-5-en-20-one sulfate", + "Pregnenolone sulfate" + ] + }, + { + "compound_id": "C18045", + "inchi": "InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1", + "name": "7alpha-Hydroxydehydroepiandrosterone", + "names": [ + "3beta,7alpha-Dihydroxy-5-androstene-17-one", + "7alpha-Hydroxydehydroepiandrosterone", + "7alpha-OH-DHEA" + ] + }, + { + "compound_id": "C18046", + "inchi": null, + "name": "Biotinyl-[protein]", + "names": [ + "Biotin protein of malonate decarboxylase", + "Biotinyl-[protein]" + ] + }, + { + "compound_id": "C18047", + "inchi": null, + "name": "Carboxybiotinyl-[protein]", + "names": [ + "Carboxybiotinyl-[protein]" + ] + }, + { + "compound_id": "C18048", + "inchi": "InChI=1S/C10H17N3O6/c11-10(19)12-5-1-2-6(9(17)18)13-7(14)3-4-8(15)16/h6H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H3,11,12,19)/t6-/m0/s1", + "name": "N-Succinyl-L-citrulline", + "names": [ + "N-Succinyl-L-citrulline" + ] + }, + { + "compound_id": "C18049", + "inchi": null, + "name": "N-Acyl-L-homoserine lactone", + "names": [ + "N-Acyl-L-homoserine lactone" + ] + }, + { + "compound_id": "C18050", + "inchi": "InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9+,10+,11-,12+/m1/s1", + "name": "beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate", + "names": [ + "Mannosylfructose 6-phosphate", + "beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate" + ] + }, + { + "compound_id": "C18051", + "inchi": "InChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13)/t8-,9-/m1/s1", + "name": "Chrysanthemyl diphosphate", + "names": [ + "Chrysanthemyl diphosphate" + ] + }, + { + "compound_id": "C18052", + "inchi": "InChI=1/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-7H2,1-2,4H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1/f/h11-12,14H", + "name": "Lavandulyl diphosphate", + "names": [ + "Lavandulyl diphosphate" + ] + }, + { + "compound_id": "C18053", + "inchi": "InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15?,23-/m0/s1", + "name": "Sophoraflavanone G", + "names": [ + "Sophoraflavanone G" + ] + }, + { + "compound_id": "C18054", + "inchi": "InChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1", + "name": "2-Amino-2-deoxyisochorismate", + "names": [ + "(2S)-2-Amino-4-deoxychorismate", + "2-Amino-2-deoxyisochorismate" + ] + }, + { + "compound_id": "C18055", + "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5?,6?,7?,8-/m1/s1", + "name": "N-Acetyl-alpha-D-hexosamine 1-phosphate", + "names": [ + "N-Acetyl-alpha-D-hexosamine 1-phosphate" + ] + }, + { + "compound_id": "C18056", + "inchi": "InChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m1/s1", + "name": "N-Desmethylzolmitriptan", + "names": [ + "183C91", + "N-Desmethylzolmitriptan" + ] + }, + { + "compound_id": "C18058", + "inchi": null, + "name": "1D-myo-Inositol bisdiphosphate tetrakisphosphate", + "names": [ + "1D-myo-Inositol bisdiphosphate tetrakisphosphate" + ] + }, + { + "compound_id": "C18059", + "inchi": "InChI=1S/C52H85N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h17-18,21-22,25-26,29-32,46-47,49-51,56-57H,11-16,19-20,23-24,27-28,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/b40-21+,41-22+,42-25+,43-26+,44-30+,45-31+/t46-,47+,49+,50+,51+/m0/s1", + "name": "CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol", + "names": [ + "CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol" + ] + }, + { + "compound_id": "C18060", + "inchi": "InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1", + "name": "N-Acetyl-alpha-D-galactosamine 1-phosphate", + "names": [ + "N-Acetyl-alpha-D-galactosamine 1-phosphate" + ] + }, + { + "compound_id": "C18061", + "inchi": null, + "name": "N-Acyl-L-homoserine", + "names": [ + "N-Acyl-L-homoserine" + ] + }, + { + "compound_id": "C18062", + "inchi": "InChI=1S/C14H17NO10/c16-4-8-9(18)10(19)11(20)13(24-8)25-14-12(21)15(22)6-2-1-5(17)3-7(6)23-14/h1-3,8-11,13-14,16-20,22H,4H2/t8-,9-,10+,11-,13+,14+/m1/s1", + "name": "TRIBOA-glucoside", + "names": [ + "2,4,7-Trihydroxy-1,4-benzoxazin-3-one-glucoside", + "2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one-glucoside", + "TRIBOA-glucoside" + ] + }, + { + "compound_id": "C18063", + "inchi": "InChI=1S/C34H34N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(39)40)31(37-23)29-30(34(42)43)33(41)28-17(6)24(38-32(28)29)13-26-19(8-2)15(4)22(36-26)12-25(18)35-21/h7,11-13,16,20,30,35,38H,1,8-10H2,2-6H3,(H,39,40)(H,42,43)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,31-29-/t16-,20-,30+/m0/s1", + "name": "C-132-Carboxypyropheophorbide a", + "names": [ + "C-132-Carboxylpyropheophorbide a", + "C-132-Carboxypyropheophorbide a" + ] + }, + { + "compound_id": "C18064", + "inchi": "InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1", + "name": "Pyropheophorbide a", + "names": [ + "Pyropheophorbide a" + ] + }, + { + "compound_id": "C18066", + "inchi": "InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3", + "name": "7-Isopropyl-4-methyloxepan-2-one", + "names": [ + "7-Isopropyl-4-methyloxepan-2-one" + ] + }, + { + "compound_id": "C18067", + "inchi": "InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)", + "name": "6-Hydroxy-3,7-dimethyloctanoate", + "names": [ + "6-Hydroxy-3,7-dimethyloctanoate" + ] + }, + { + "compound_id": "C18068", + "inchi": "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9+,10+,11-,12+/m1/s1", + "name": "beta-D-Fructofuranosyl-alpha-D-mannopyranoside", + "names": [ + "Mannosylfructose", + "beta-D-Fructofuranosyl-alpha-D-mannopyranoside" + ] + }, + { + "compound_id": "C18069", + "inchi": "InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+", + "name": "N1,N5,N10-Tricoumaroyl spermidine", + "names": [ + "N1,N5,N10-Tricoumaroyl spermidine" + ] + }, + { + "compound_id": "C18070", + "inchi": "InChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+", + "name": "N1,N5,N10-Tricaffeoyl spermidine", + "names": [ + "N1,N5,N10-Tricaffeoyl spermidine" + ] + }, + { + "compound_id": "C18071", + "inchi": "InChI=1S/C37H43N3O9/c1-47-32-23-26(7-13-29(32)41)10-16-35(44)38-19-4-5-21-40(37(46)18-12-28-9-15-31(43)34(25-28)49-3)22-6-20-39-36(45)17-11-27-8-14-30(42)33(24-27)48-2/h7-18,23-25,41-43H,4-6,19-22H2,1-3H3,(H,38,44)(H,39,45)/b16-10+,17-11+,18-12+", + "name": "N1,N5,N10-Triferuloyl spermidine", + "names": [ + "N1,N5,N10-Triferuloyl spermidine" + ] + }, + { + "compound_id": "C18072", + "inchi": "InChI=1S/C37H43N3O12/c1-50-29-20-23(17-26(41)35(29)47)7-10-32(44)38-13-4-5-15-40(34(46)12-9-25-19-28(43)37(49)31(22-25)52-3)16-6-14-39-33(45)11-8-24-18-27(42)36(48)30(21-24)51-2/h7-12,17-22,41-43,47-49H,4-6,13-16H2,1-3H3,(H,38,44)(H,39,45)/b10-7+,11-8+,12-9+", + "name": "N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine", + "names": [ + "N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine" + ] + }, + { + "compound_id": "C18073", + "inchi": "InChI=1S/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-34(45)40-15-7-17-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)16-6-5-14-39-33(44)12-9-26-22-31(52-3)38(49)32(23-26)53-4/h8-13,18-23,42-43,47-49H,5-7,14-17H2,1-4H3,(H,39,44)(H,40,45)/b11-8+,12-9+,13-10+", + "name": "N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine", + "names": [ + "N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine" + ] + }, + { + "compound_id": "C18075", + "inchi": "InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1", + "name": "11beta,17beta-Dihydroxy-4-androsten-3-one", + "names": [ + "11beta,17beta-Dihydroxy-4-androsten-3-one", + "11beta-Hydroxytestosterone" + ] + }, + { + "compound_id": "C18076", + "inchi": "InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1", + "name": "5'-Phosphoguanylyl(3'->5')guanosine", + "names": [ + "5'-Phosphoguanylyl(3'->5')guanosine" + ] + }, + { + "compound_id": "C18077", + "inchi": "InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+", + "name": "Methylenedioxycinnamic acid", + "names": [ + "MDCA", + "Methylenedioxycinnamic acid" + ] + }, + { + "compound_id": "C18078", + "inchi": "InChI=1S/C10H6O4/c11-10-2-1-6-3-8-9(13-5-12-8)4-7(6)14-10/h1-4H,5H2", + "name": "Ayapin", + "names": [ + "Ayapin" + ] + }, + { + "compound_id": "C18079", + "inchi": "InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3", + "name": "Isoscopoletin", + "names": [ + "Isoscopoletin" + ] + }, + { + "compound_id": "C18080", + "inchi": "InChI=1S/C14H14O3/c1-9(2)3-6-11-12(15)7-4-10-5-8-13(16)17-14(10)11/h3-5,7-8,15H,6H2,1-2H3", + "name": "Osthenol", + "names": [ + "Osthenol" + ] + }, + { + "compound_id": "C18081", + "inchi": "InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3", + "name": "Sphondin", + "names": [ + "Sphondin" + ] + }, + { + "compound_id": "C18082", + "inchi": "InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3", + "name": "Isobergapten", + "names": [ + "Isobergapten" + ] + }, + { + "compound_id": "C18083", + "inchi": "InChI=1S/C14H14O3/c1-9(2)3-4-10-7-11-5-6-14(16)17-13(11)8-12(10)15/h3,5-8,15H,4H2,1-2H3", + "name": "Demethylsuberosin", + "names": [ + "7-Demethylsuberosin", + "Demethylsuberosin" + ] + }, + { + "compound_id": "C18084", + "inchi": "InChI=1S/C11H6O4/c12-8-5-9-7(3-4-14-9)11-6(8)1-2-10(13)15-11/h1-5,12H", + "name": "Isobergaptol", + "names": [ + "Isobergaptol" + ] + }, + { + "compound_id": "C18085", + "inchi": "InChI=1S/C11H6O4/c12-8-5-6-1-2-9(13)15-10(6)7-3-4-14-11(7)8/h1-5,12H", + "name": "6-Hydroxyangelicin", + "names": [ + "6-Hydroxyangelicin", + "Heratomol" + ] + }, + { + "compound_id": "C18086", + "inchi": null, + "name": "2'-Hydroxy caffeic acid", + "names": [ + "2'-Hydroxy caffeic acid" + ] + }, + { + "compound_id": "C18087", + "inchi": null, + "name": "2'-Hydroxyferulic acid", + "names": [ + "2'-Hydroxyferulic acid" + ] + }, + { + "compound_id": "C18088", + "inchi": null, + "name": "2'-Hydroxy-MDCA", + "names": [ + "2'-Hydroxy-MDCA" + ] + }, + { + "compound_id": "C18089", + "inchi": null, + "name": "2',4'-Dihydroxycinnamic acid", + "names": [ + "2',4'-Dihydroxycinnamic acid" + ] + }, + { + "compound_id": "C18090", + "inchi": "InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3", + "name": "Tricaine", + "names": [ + "3-Aminobenzoic acid", + "Tricaine", + "m-Aminobenzoate" + ] + }, + { + "compound_id": "C18091", + "inchi": "InChI=1S/C2H4NO2/c1-2-3(4)5/h2H,1H3/q-1", + "name": "Ethylnitronate", + "names": [ + "Ethylnitronate" + ] + }, + { + "compound_id": "C18092", + "inchi": "InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10-,11+,12+,13+,14-/m0/s1", + "name": "dTDP-L-ristosamine", + "names": [ + "dTDP-3-amino-2,3,6-trideoxy-L-allose", + "dTDP-3-amino-2,3,6-trideoxy-L-ribo-hexose", + "dTDP-L-ristosamine" + ] + }, + { + "compound_id": "C18093", + "inchi": "InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)/b16-6+", + "name": "Iopodic acid", + "names": [ + "Iopodic acid" + ] + }, + { + "compound_id": "C18094", + "inchi": "InChI=1S/C14H22N2O16P2/c17-3-5-8(19)11(22)13(30-5)31-34(26,27)32-33(24,25)28-4-6-9(20)10(21)12(29-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12?,13+/m0/s1", + "name": "UDP-L-arabinofuranose", + "names": [ + "UDP-L-arabinofuranose", + "UDP-beta-L-arabinofuranose" + ] + }, + { + "compound_id": "C18095", + "inchi": "InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1", + "name": "Deltorphin B", + "names": [ + "Deltorphin B", + "Deltorphin II" + ] + }, + { + "compound_id": "C18096", + "inchi": "InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5-,6?/m1/s1", + "name": "D-Allulose 6-phosphate", + "names": [ + "D-Allulose 6-phosphate" + ] + }, + { + "compound_id": "C18097", + "inchi": "InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1", + "name": "Deltorphin C", + "names": [ + "Deltorphin C", + "Deltorphin I" + ] + }, + { + "compound_id": "C18098", + "inchi": "InChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29-/t17-,21-,23?,30+/m0/s1", + "name": "Primary fluorescent chlorophyll catabolite", + "names": [ + "Primary fluorescent chlorophyll catabolite" + ] + }, + { + "compound_id": "C18099", + "inchi": "InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H", + "name": "1,2,3,7,8-Pentachlorodibenzodioxin", + "names": [ + "1,2,3,7,8-PeCDD", + "1,2,3,7,8-Pentachlorodibenzo-p-dioxin", + "1,2,3,7,8-Pentachlorodibenzodioxin", + "PCDD 54" + ] + }, + { + "compound_id": "C18100", + "inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H", + "name": "1,2,3,4,7,8-Hexachlorodibenzodioxin", + "names": [ + "1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin", + "1,2,3,4,7,8-Hexachlorodibenzodioxin", + "1,2,3,4,7,8-HxCDD", + "PCDD 66" + ] + }, + { + "compound_id": "C18101", + "inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H", + "name": "1,2,3,6,7,8-Hexachlorodibenzodioxin", + "names": [ + "1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin", + "1,2,3,6,7,8-Hexachlorodibenzodioxin", + "1,2,3,6,7,8-HxCDD", + "PCDD 67" + ] + }, + { + "compound_id": "C18102", + "inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H", + "name": "1,2,3,7,8,9-Hexachlorodibenzodioxin", + "names": [ + "1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin", + "1,2,3,7,8,9-Hexachlorodibenzodioxin", + "1,2,3,7,8,9-HxCDD", + "PCDD 70" + ] + }, + { + "compound_id": "C18103", + "inchi": "InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H", + "name": "1,2,3,4,6,7,8-Heptachlorodibenzodioxin", + "names": [ + "1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin", + "1,2,3,4,6,7,8-Heptachlorodibenzodioxin", + "1,2,3,4,6,7,8-HpCDD", + "PCDD 73" + ] + }, + { + "compound_id": "C18104", + "inchi": "InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H", + "name": "2,3,7,8-Tetrachlorodibenzofuran", + "names": [ + "2,3,7,8-TCDF", + "2,3,7,8-Tetrachlorodibenzofuran", + "PCDF 83" + ] + }, + { + "compound_id": "C18105", + "inchi": "InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H", + "name": "1,2,3,7,8-Pentachlorodibenzofuran", + "names": [ + "1,2,3,7,8-PeCDF", + "1,2,3,7,8-Pentachlorodibenzofuran", + "PCDF 94" + ] + }, + { + "compound_id": "C18106", + "inchi": "InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H", + "name": "2,3,4,7,8-Pentachlorodibenzofuran", + "names": [ + "2,3,4,7,8-PeCDF", + "2,3,4,7,8-Pentachlorodibenzofuran", + "PCDF 114" + ] + }, + { + "compound_id": "C18107", + "inchi": "InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H", + "name": "1,2,3,4,7,8-Hexachlorodibenzofuran", + "names": [ + "1,2,3,4,7,8-Hexachlorodibenzofuran", + "1,2,3,4,7,8-HxCDF", + "PCDF 118" + ] + }, + { + "compound_id": "C18108", + "inchi": "InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H", + "name": "1,2,3,7,8,9-Hexachlorodibenzofuran", + "names": [ + "1,2,3,7,8,9-Hexachlorodibenzofuran", + "1,2,3,7,8,9-HxCDF", + "PCDF 124" + ] + }, + { + "compound_id": "C18109", + "inchi": "InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H", + "name": "1,2,3,6,7,8-Hexachlorodibenzofuran", + "names": [ + "1,2,3,6,7,8-Hexachlorodibenzofuran", + "1,2,3,6,7,8-HxCDF", + "PCDF 121" + ] + }, + { + "compound_id": "C18110", + "inchi": "InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H", + "name": "2,3,4,6,7,8-Hexachlorodibenzofuran", + "names": [ + "2,3,4,6,7,8-Hexachlorodibenzofuran", + "2,3,4,6,7,8-HxCDF", + "PCDF 130" + ] + }, + { + "compound_id": "C18111", + "inchi": "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H", + "name": "1,2,3,4,6,7,8-Heptachlorodibenzofuran", + "names": [ + "1,2,3,4,6,7,8-Heptachlorodibenzofuran", + "1,2,3,4,6,7,8-HpCDF", + "PCDF 131" + ] + }, + { + "compound_id": "C18112", + "inchi": "InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H", + "name": "1,2,3,4,7,8,9-Heptachlorodibenzofuran", + "names": [ + "1,2,3,4,7,8,9-Heptachlorodibenzofuran", + "1,2,3,4,7,8,9-HpCDF", + "PCDF 134" + ] + }, + { + "compound_id": "C18113", + "inchi": "InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15", + "name": "1,2,3,4,6,7,8,9-Octachlorodibenzofuran", + "names": [ + "1,2,3,4,6,7,8,9-Octachlorodibenzofuran", + "OCDF", + "Octachlorodibenzofuran", + "PCDF 135" + ] + }, + { + "compound_id": "C18114", + "inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H", + "name": "3,4,4',5-Tetrachlorobiphenyl", + "names": [ + "3,4,4',5-Tetrachlorobiphenyl", + "PCB 81" + ] + }, + { + "compound_id": "C18115", + "inchi": "InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H", + "name": "3,4,5,3',4',5'-Hexachlorobiphenyl", + "names": [ + "3,4,5,3',4',5'-Hexachlorobiphenyl", + "PCB 169" + ] + }, + { + "compound_id": "C18116", + "inchi": "InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H", + "name": "2,3,4,3',4'-Pentachlorobiphenyl", + "names": [ + "2,3,4,3',4'-Pentachlorobiphenyl", + "PCB 105" + ] + }, + { + "compound_id": "C18117", + "inchi": "InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H", + "name": "2,3,4,4',5-Pentachlorobiphenyl", + "names": [ + "2,3,4,4',5-Pentachlorobiphenyl", + "PCB 114" + ] + }, + { + "compound_id": "C18118", + "inchi": "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H", + "name": "2,3',4,4',5-Pentachlorobiphenyl", + "names": [ + "2,3',4,4',5-Pentachlorobiphenyl", + "PCB 118" + ] + }, + { + "compound_id": "C18119", + "inchi": "InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H", + "name": "2,3',4,4',5'-Pentachlorobiphenyl", + "names": [ + "2,3',4,4',5'-Pentachlorobiphenyl", + "PCB 123" + ] + }, + { + "compound_id": "C18120", + "inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H", + "name": "2,3,3',4,4',5-Hexachlorobiphenyl", + "names": [ + "2,3,3',4,4',5-Hexachlorobiphenyl", + "PCB 156" + ] + }, + { + "compound_id": "C18121", + "inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H", + "name": "2,3,3',4,4',5'-Hexachlorobiphenyl", + "names": [ + "2,3,3',4,4',5'-Hexachlorobiphenyl", + "PCB 157" + ] + }, + { + "compound_id": "C18122", + "inchi": "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H", + "name": "2,3',4,4',5,5'-Hexachlorobiphenyl", + "names": [ + "2,3',4,4',5,5'-Hexachlorobiphenyl", + "PCB 167" + ] + }, + { + "compound_id": "C18123", + "inchi": "InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H", + "name": "2,3,3',4,4',5,5'-Heptachlorobiphenyl", + "names": [ + "2,3,3',4,4',5,5'-Heptachlorobiphenyl", + "PCB 189" + ] + }, + { + "compound_id": "C18124", + "inchi": "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3-,4-,5?,6?,7?,10-,11-/m0/s1", + "name": "Endrin", + "names": [ + "Endrin" + ] + }, + { + "compound_id": "C18125", + "inchi": null, + "name": "1-Acyl-sn-glycero-3-phosphoserine", + "names": [ + "1-Acyl-sn-glycero-3-phosphoserine" + ] + }, + { + "compound_id": "C18126", + "inchi": null, + "name": "1-Acyl-sn-glycero-3-phosphoglycerol", + "names": [ + "1-Acyl-sn-glycero-3-phosphoglycerol" + ] + }, + { + "compound_id": "C18127", + "inchi": "InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1", + "name": "beta-Funaltrexamine", + "names": [ + "beta-FNA", + "beta-Funaltrexamine" + ] + }, + { + "compound_id": "C18128", + "inchi": "InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1", + "name": "Naltrindole", + "names": [ + "NTI", + "Naltrindole" + ] + }, + { + "compound_id": "C18129", + "inchi": null, + "name": "Monolysocardiolipin", + "names": [ + "MLCL", + "Monolysocardiolipin" + ] + }, + { + "compound_id": "C18130", + "inchi": "InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1", + "name": "Norbinaltorphimine", + "names": [ + "Norbinaltorphimine", + "norBNI" + ] + }, + { + "compound_id": "C18131", + "inchi": "InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+", + "name": "Geranyl-hydroxybenzoate", + "names": [ + "Geranyl-hydroxybenzoate" + ] + }, + { + "compound_id": "C18132", + "inchi": "InChI=1S/C16H22O3/c1-12(2)4-3-5-13(11-17)6-7-14-10-15(18)8-9-16(14)19/h4,6,8-10,17-19H,3,5,7,11H2,1-2H3/b13-6-", + "name": "3''-Hydroxy-geranylhydroquinone", + "names": [ + "3''-Hydroxy-geranylhydroquinone" + ] + }, + { + "compound_id": "C18133", + "inchi": "InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3", + "name": "Deoxyshikonin", + "names": [ + "Deoxyshikonin" + ] + }, + { + "compound_id": "C18134", + "inchi": "InChI=1S/C16H18O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16H,3,5,10H2,1-2H3", + "name": "Dihydroechinofuran", + "names": [ + "Dihydroechinofuran" + ] + }, + { + "compound_id": "C18135", + "inchi": "InChI=1S/C16H20O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16-18H,3,5,10H2,1-2H3", + "name": "Dihydroshikonofuran", + "names": [ + "Dihydroshikonofuran" + ] + }, + { + "compound_id": "C18136", + "inchi": "InChI=1S/C28H48N9O16P/c1-33-14-10(39)4-47-28(52-22-9(30)2-8(29)21(20(22)44)51-27-13(31)18(42)16(40)11(3-38)50-27)23(14)53-54(45,46)48-5-12-17(41)19(43)26(49-12)37-7-36-15-24(32)34-6-35-25(15)37/h6-14,16-23,26-28,33,38-44H,2-5,29-31H2,1H3,(H,45,46)(H2,32,34,35)/t8-,9+,10+,11+,12+,13+,14-,16+,17+,18+,19+,20-,21+,22-,23+,26+,27+,28+/m0/s1", + "name": "2''-Adenylylgentamicin A", + "names": [ + "2''-Adenylylgentamicin A" + ] + }, + { + "compound_id": "C18137", + "inchi": "InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H", + "name": "2,2',4,4',5,5'-Hexabromodiphenyl ether", + "names": [ + "2,2',4,4',5,5'-Hexabromodiphenyl ether", + "BDE 153" + ] + }, + { + "compound_id": "C18138", + "inchi": "InChI=1S/C12H4Br6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H", + "name": "2,2',4,4',5,6'-Hexabromodiphenyl ether", + "names": [ + "2,2',4,4',5,6'-Hexabromodiphenyl ether", + "BDE 154", + "PBDE 154" + ] + }, + { + "compound_id": "C18139", + "inchi": "InChI=1S/C12H3Br7O/c13-4-1-5(14)9(17)8(2-4)20-12-7(16)3-6(15)10(18)11(12)19/h1-3H", + "name": "2,2',3,3',4',5,6'-Heptabromodiphenyl ether", + "names": [ + "1,2,3,5-Tetrabromo-4-(2,3,5-tribromophenoxy)-benzene", + "2,2',3,3',4',5,6'-Heptabromodiphenyl ether", + "BDE 175" + ] + }, + { + "compound_id": "C18140", + "inchi": "InChI=1S/C12H3Br7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H", + "name": "2,2',3,4,4',5',6-Heptabromodiphenyl ether", + "names": [ + "1,2,3,5-Tetrabromo-4-(2,4,5-tribromophenoxy)-benzene", + "2,2',3,4,4',5',6-Heptabromodiphenyl ether", + "BDE 183" + ] + }, + { + "compound_id": "C18141", + "inchi": "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H", + "name": "Pentachlorobenzene", + "names": [ + "1,2,3,4,5-Pentachlorobenzene", + "PCB", + "Pentachlorobenzene" + ] + }, + { + "compound_id": "C18142", + "inchi": "InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)", + "name": "Perfluorooctanesulfonic acid", + "names": [ + "PFOS", + "Perfluorooctanesulfonic acid", + "Perfluorooctylsulfonic acid" + ] + }, + { + "compound_id": "C18143", + "inchi": "InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28", + "name": "Perfluorooctylsulfonyl fluoride", + "names": [ + "Perfluorooctylsulfonyl fluoride" + ] + }, + { + "compound_id": "C18144", + "inchi": null, + "name": "Metiram", + "names": [ + "Metiram" + ] + }, + { + "compound_id": "C18145", + "inchi": "InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5?,8+,9-", + "name": "trans-Nonachlor", + "names": [ + "trans-Nonachlor" + ] + }, + { + "compound_id": "C18146", + "inchi": "InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1?,2?,3?,6?,7-,8+,9?/m1/s1", + "name": "Oxychlordane", + "names": [ + "Oxychlordane" + ] + }, + { + "compound_id": "C18147", + "inchi": "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1", + "name": "Esfenvalerate", + "names": [ + "Esfenvalerate" + ] + }, + { + "compound_id": "C18148", + "inchi": "InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12", + "name": "Octachlorostyrene", + "names": [ + "Octachlorostyrene" + ] + }, + { + "compound_id": "C18149", + "inchi": "InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;", + "name": "Tributyltin oxide", + "names": [ + "TBTO", + "Tributyltin oxide" + ] + }, + { + "compound_id": "C18150", + "inchi": "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3", + "name": "n-Butylbenzene", + "names": [ + "n-Butylbenzene" + ] + }, + { + "compound_id": "C18151", + "inchi": "InChI=1S/C55H73N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-29,31-33,36,40,51,60H,1,13-24,26,30H2,2-11H3,(H-,56,57,58,59,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1", + "name": "7-Hydroxychlorophyll a", + "names": [ + "7-Hydroxychlorophyll a" + ] + }, + { + "compound_id": "C18152", + "inchi": "InChI=1S/C35H38N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,16-17,20-21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t16?,17-,20?,21-,31+;/m0./s1", + "name": "3-Vinylbacteriochlorophyllide a", + "names": [ + "3-Vinylbacteriochlorophyllide a" + ] + }, + { + "compound_id": "C18153", + "inchi": "InChI=1S/C35H40N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,18-20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t14?,15-,18?,19?,20-,31+;/m0./s1", + "name": "3-Hydroxyethylbacteriochlorophyllide a", + "names": [ + "3-Hydroxyethylbacteriochlorophyllide a" + ] + }, + { + "compound_id": "C18154", + "inchi": "InChI=1S/C35H38N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-13,15,18,20,31,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q;+2/p-2/t15-,18?,20-,31+;/m0./s1", + "name": "3-Hydroxyethylchlorophyllide a", + "names": [ + "3-Hydroxyethylchlorophyllide a" + ] + }, + { + "compound_id": "C18155", + "inchi": "InChI=1S/C35H38N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-15,19-20,31H,8-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t14?,15-,19?,20-,31+;/m0./s1", + "name": "Bacteriochlorophyllide a", + "names": [ + "Bacteriochlorophyllide a" + ] + }, + { + "compound_id": "C18156", + "inchi": "InChI=1S/C35H36N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h8,11-15,20,31H,9-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/b19-8-;/t14?,15-,20-,31+;/m0./s1", + "name": "Bacteriochlorophyllide b", + "names": [ + "Bacteriochlorophyllide b" + ] + }, + { + "compound_id": "C18157", + "inchi": "InChI=1S/C33H34N4O3.Mg/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H3,34,35,36,37,38,39,40);/q;+2/p-2/t17-,21-;/m0./s1", + "name": "3-Vinylbacteriochlorophyllide d", + "names": [ + "3-Vinylbacteriochlorophyllide d" + ] + }, + { + "compound_id": "C18158", + "inchi": "InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11?,12?,13-,14+/m0/s1", + "name": "17-Oxosparteine", + "names": [ + "17-Oxosparteine" + ] + }, + { + "compound_id": "C18159", + "inchi": null, + "name": "Polyplatillen", + "names": [ + "Polyplatillen" + ] + }, + { + "compound_id": "C18160", + "inchi": null, + "name": "Bacteriochlorophyllide d", + "names": [ + "Bacteriochlorophyllide d" + ] + }, + { + "compound_id": "C18161", + "inchi": null, + "name": "Bacteriochlorophyllide c", + "names": [ + "Bacteriochlorophyllide c" + ] + }, + { + "compound_id": "C18162", + "inchi": null, + "name": "Bacteriochlorophyll d", + "names": [ + "Bacteriochlorophyll d" + ] + }, + { + "compound_id": "C18163", + "inchi": null, + "name": "Bacteriochlorophyll c", + "names": [ + "Bacteriochlorophyll c" + ] + }, + { + "compound_id": "C18164", + "inchi": "InChI=1S/C20H22O5/c1-19(2)12-6-20(24)7-13(22)15(16(12)18(20)23)11-8-25-14-5-9(21)3-4-10(14)17(11)19/h3-5,8,12,15-18,21,23-24H,6-7H2,1-2H3/t12-,15+,16+,17+,18+,20+/m0/s1", + "name": "Deoxymiroestrol", + "names": [ + "Deoxymiroestrol" + ] + }, + { + "compound_id": "C18165", + "inchi": "InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1", + "name": "Enterolactone", + "names": [ + "Enterolactone" + ] + }, + { + "compound_id": "C18166", + "inchi": "InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1", + "name": "Enterodiol", + "names": [ + "Enterodiol" + ] + }, + { + "compound_id": "C18167", + "inchi": "InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1", + "name": "Secoisolariciresinol", + "names": [ + "(-)-Secoisolariciresinol", + "Secoisolariciresinol" + ] + }, + { + "compound_id": "C18168", + "inchi": null, + "name": "Diacylglycerylhomoserine", + "names": [ + "DGHS", + "Diacylglycerylhomoserine" + ] + }, + { + "compound_id": "C18169", + "inchi": null, + "name": "Diacylglyceryl-N,N,N-trimethylhomoserine", + "names": [ + "DGTS", + "Diacylglyceryl-N,N,N-trimethylhomoserine" + ] + }, + { + "compound_id": "C18170", + "inchi": "InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)", + "name": "3-Acetamidopropanal", + "names": [ + "3-Acetamidopropanal" + ] + }, + { + "compound_id": "C18171", + "inchi": "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1", + "name": "Resolvin E1", + "names": [ + "5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid", + "Resolvin E1" + ] + }, + { + "compound_id": "C18172", + "inchi": "InChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)", + "name": "Carboxyspermidine", + "names": [ + "2-Amino-4-[(4-aminobutyl)amino]-butanoic acid", + "Carboxyspermidine" + ] + }, + { + "compound_id": "C18173", + "inchi": "InChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1", + "name": "Resolvin E2", + "names": [ + "5S,18R-Dihydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid", + "Resolvin E2" + ] + }, + { + "compound_id": "C18174", + "inchi": "InChI=1S/C7H17N3O2/c8-3-1-4-10-5-2-6(9)7(11)12/h6,10H,1-5,8-9H2,(H,11,12)", + "name": "Carboxynorspermidine", + "names": [ + "Carboxynorspermidine" + ] + }, + { + "compound_id": "C18175", + "inchi": "InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/b5-3+,8-6-,9-7+,13-10+,14-11+/t17-,18?,19?/m1/s1", + "name": "5,6-Epoxy-18R-HEPE", + "names": [ + "5,6-Epoxy,18R-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid", + "5,6-Epoxy-18R-HEPE" + ] + }, + { + "compound_id": "C18176", + "inchi": "InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1", + "name": "5S-Hydroperoxy-18R-HEPE", + "names": [ + "5S-Hydroperoxy-18R-HEPE", + "5S-Hydroperoxy-18R-hydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid" + ] + }, + { + "compound_id": "C18177", + "inchi": "InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1", + "name": "18R-HEPE", + "names": [ + "18R-HEPE", + "18R-Hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid" + ] + }, + { + "compound_id": "C18178", + "inchi": "InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21-/m0/s1", + "name": "Resolvin D1", + "names": [ + "7S,8R,17S-Trihydroxydocosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid", + "Resolvin D1" + ] + }, + { + "compound_id": "C18179", + "inchi": "InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21-/m1/s1", + "name": "Resolvin D2", + "names": [ + "Resolvin D2" + ] + }, + { + "compound_id": "C18180", + "inchi": "InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10", + "name": "1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin", + "names": [ + "1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin", + "OCDD", + "Octachlorodibenzo-p-dioxin", + "PCDD 75" + ] + }, + { + "compound_id": "C18181", + "inchi": null, + "name": "Growth hormone", + "names": [ + "GH", + "Growth hormone", + "Somatotropin" + ] + }, + { + "compound_id": "C18182", + "inchi": null, + "name": "Thyroid stimulating hormone", + "names": [ + "Pretiron", + "TSH", + "Thyreotrophic hormone", + "Thyroid stimulating hormone", + "Thyrotrophin" + ] + }, + { + "compound_id": "C18183", + "inchi": null, + "name": "Luteinizing hormone", + "names": [ + "ICSH", + "Interstitial cell stimulating hormone", + "LH", + "Luteinizing hormone" + ] + }, + { + "compound_id": "C18184", + "inchi": null, + "name": "Follicle stimulating hormone", + "names": [ + "FSH", + "Follicle stimulating hormone", + "Follitropin" + ] + }, + { + "compound_id": "C18185", + "inchi": null, + "name": "Chorionic gonadotropin", + "names": [ + "Chorionic gonadotropin" + ] + }, + { + "compound_id": "C18186", + "inchi": null, + "name": "Gastrin-14", + "names": [ + "Gastrin-14", + "Minigastrin" + ] + }, + { + "compound_id": "C18187", + "inchi": null, + "name": "Gastrin-34", + "names": [ + "Big gastrin", + "Gastrin-34" + ] + }, + { + "compound_id": "C18188", + "inchi": null, + "name": "Leptin", + "names": [ + "Leptin" + ] + }, + { + "compound_id": "C18189", + "inchi": null, + "name": "Adiponectin", + "names": [ + "Adiponectin" + ] + }, + { + "compound_id": "C18190", + "inchi": null, + "name": "Resistin", + "names": [ + "Resistin" + ] + }, + { + "compound_id": "C18191", + "inchi": "InChI=1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23-,24-,25-,27-,28-,29+,30+,31-,32?,33?,34-/m1/s1", + "name": "13-Sophorosyloxydocosanoic acid", + "names": [ + "13-Sophorosyloxydocosanoic acid" + ] + }, + { + "compound_id": "C18192", + "inchi": "InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1", + "name": "Vitamin D4", + "names": [ + "(5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol", + "22-Dihydroergocalciferol", + "Vitamin D4" + ] + }, + { + "compound_id": "C18193", + "inchi": "InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1", + "name": "Vitamin D5", + "names": [ + "(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol", + "Vitamin D5" + ] + }, + { + "compound_id": "C18195", + "inchi": "InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6-,10-9+,15-7+,16-11+", + "name": "11-cis-3-Hydroxyretinal", + "names": [ + "11-cis-3-Hydroxyretinal" + ] + }, + { + "compound_id": "C18196", + "inchi": "InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+", + "name": "all-trans-3-Hydroxyretinal", + "names": [ + "all-trans-3-Hydroxyretinal" + ] + }, + { + "compound_id": "C18197", + "inchi": null, + "name": "Oxyntomodulin", + "names": [ + "Oxyntomodulin" + ] + }, + { + "compound_id": "C18198", + "inchi": null, + "name": "Proadrenomedullin N-terminal 20 peptide", + "names": [ + "PAMP20", + "Proadrenomedullin N-terminal 20 peptide" + ] + }, + { + "compound_id": "C18199", + "inchi": null, + "name": "Cathelicidin", + "names": [ + "Cathelicidin" + ] + }, + { + "compound_id": "C18200", + "inchi": null, + "name": "Erythropoietin", + "names": [ + "EPO", + "Erythropoietin" + ] + }, + { + "compound_id": "C18201", + "inchi": null, + "name": "Prolactin", + "names": [ + "PRL", + "Prolactin" + ] + }, + { + "compound_id": "C18202", + "inchi": "InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+", + "name": "8-Methyl-6-nonenoic acid", + "names": [ + "8-Methyl-6-nonenoic acid" + ] + }, + { + "compound_id": "C18203", + "inchi": "InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H", + "name": "2,2',4,4',5-Pentabromodiphenyl ether", + "names": [ + "2,2',4,4',5-Pentabromodiphenyl ether", + "BDE 99", + "PBDE 99" + ] + }, + { + "compound_id": "C18204", + "inchi": "InChI=1S/C12H6Br4O/c13-7-2-4-11(10(16)5-7)17-12-6-8(14)1-3-9(12)15/h1-6H", + "name": "2,2',4,5'-Tetrabromodiphenyl ether", + "names": [ + "2,2',4,5'-Tetrabromodiphenyl ether", + "BDE 49", + "PBDE 49" + ] + }, + { + "compound_id": "C18205", + "inchi": "InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H", + "name": "2,2',4,4'-Tetrabromodiphenyl ether", + "names": [ + "2,2',4,4'-Tetrabromodiphenyl ether", + "BDE 47", + "PBDE 47" + ] + }, + { + "compound_id": "C18206", + "inchi": "InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-", + "name": "cis-11-Methyl-2-dodecenoic acid", + "names": [ + "cis-11-Methyl-2-dodecenoic acid" + ] + }, + { + "compound_id": "C18208", + "inchi": null, + "name": "Activin AB", + "names": [ + "Activin AB" + ] + }, + { + "compound_id": "C18209", + "inchi": null, + "name": "Activin B", + "names": [ + "Activin B" + ] + }, + { + "compound_id": "C18210", + "inchi": null, + "name": "Placental lactogen", + "names": [ + "Chorionic somatomammotropin hormone", + "PL", + "Placental lactogen" + ] + }, + { + "compound_id": "C18211", + "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19-,20+/m0/s1", + "name": "Isopimara-7,15-diene", + "names": [ + "Isopimara-7,15-diene" + ] + }, + { + "compound_id": "C18212", + "inchi": "InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)/b9-6+,23-20+,24-19+/t21?,22-/m0/s1", + "name": "Jamaicamide A", + "names": [ + "Jamaicamide A" + ] + }, + { + "compound_id": "C18213", + "inchi": "InChI=1S/C27H37ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h1,8,10,14,16,19-22H,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+/t21?,22-/m0/s1", + "name": "Jamaicamide B", + "names": [ + "Jamaicamide B" + ] + }, + { + "compound_id": "C18214", + "inchi": "InChI=1S/C27H39ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h5,8,10,14,16,19-22H,1,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+/t21?,22-/m0/s1", + "name": "Jamaicamide C", + "names": [ + "Jamaicamide C" + ] + }, + { + "compound_id": "C18215", + "inchi": "InChI=1S/C13H12O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13-16H", + "name": "Bis(4-hydroxyphenyl)methanol", + "names": [ + "Bis(4-hydroxyphenyl)methanol" + ] + }, + { + "compound_id": "C18216", + "inchi": "InChI=1S/C13H10O4/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8,14-15H", + "name": "4-Hydroxyphenyl-4-hydroxybenzoate", + "names": [ + "4-Hydroxyphenyl-4-hydroxybenzoate" + ] + }, + { + "compound_id": "C18217", + "inchi": "InChI=1S/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+", + "name": "16-Feruloyloxypalmitate", + "names": [ + "16-Feruloyloxypalmitate", + "16-Feruloyloxypalmitic acid" + ] + }, + { + "compound_id": "C18218", + "inchi": "InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)", + "name": "16-Hydroxypalmitate", + "names": [ + "16-Hydroxypalmitate", + "16-Hydroxypalmitic acid" + ] + }, + { + "compound_id": "C18219", + "inchi": "InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14,18,21H,5-11,13H2,1-4H3/t18-,19-,20+/m0/s1", + "name": "Palustradienol", + "names": [ + "Palustradienol" + ] + }, + { + "compound_id": "C18220", + "inchi": "InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-14,18H,5-11H2,1-4H3/t18-,19-,20+/m0/s1", + "name": "Palustradienal", + "names": [ + "Palustradienal" + ] + }, + { + "compound_id": "C18221", + "inchi": "InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1", + "name": "Isopimaradienol", + "names": [ + "Isopimaradienol" + ] + }, + { + "compound_id": "C18222", + "inchi": "InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1", + "name": "Isopimaradienal", + "names": [ + "Isopimaradienal" + ] + }, + { + "compound_id": "C18223", + "inchi": "InChI=1S/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1", + "name": "Stemar-13-ene", + "names": [ + "Stemar-13-ene" + ] + }, + { + "compound_id": "C18224", + "inchi": "InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15-,16-,17-,19-,20+/m0/s1", + "name": "Stemod-13(17)-ene", + "names": [ + "Stemod-13(17)-ene" + ] + }, + { + "compound_id": "C18225", + "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20-/m1/s1", + "name": "9beta-Pimara-7,15-diene", + "names": [ + "9beta-Pimara-7,15-diene" + ] + }, + { + "compound_id": "C18226", + "inchi": "InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1", + "name": "ent-Cassa-12,15-diene", + "names": [ + "ent-Cassa-12,15-diene" + ] + }, + { + "compound_id": "C18227", + "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m1/s1", + "name": "ent-Sandaracopimara-8(14),15-diene", + "names": [ + "ent-Sandaracopimara-8(14),15-diene" + ] + }, + { + "compound_id": "C18228", + "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m1/s1", + "name": "ent-Pimara-8(14),15-diene", + "names": [ + "ent-Pimara-8(14),15-diene" + ] + }, + { + "compound_id": "C18229", + "inchi": "InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m0/s1", + "name": "Fusicocca-2,10(14)-diene", + "names": [ + "Fusicocca-2,10(14)-diene" + ] + }, + { + "compound_id": "C18230", + "inchi": "InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1", + "name": "Calcitroic acid", + "names": [ + "Calcitroic acid" + ] + }, + { + "compound_id": "C18231", + "inchi": "InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25?,27-/m1/s1", + "name": "Calcitetrol", + "names": [ + "Calcitetrol" + ] + }, + { + "compound_id": "C18232", + "inchi": "InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-", + "name": "N-formylmaleamic acid", + "names": [ + "N-formylmaleamic acid" + ] + }, + { + "compound_id": "C18233", + "inchi": null, + "name": "Cytochrome cL", + "names": [ + "Cytochrome cL" + ] + }, + { + "compound_id": "C18234", + "inchi": null, + "name": "Reduced cytochrome cL", + "names": [ + "Reduced cytochrome cL" + ] + }, + { + "compound_id": "C18235", + "inchi": "InChI=1S/C18H32N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h6-16,18,21-22,24-30H,2-4H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16?,18?/m0/s1", + "name": "S-(Hydroxymethyl)mycothiol", + "names": [ + "S-(Hydroxymethyl)mycothiol" + ] + }, + { + "compound_id": "C18236", + "inchi": "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H", + "name": "1,2,3,4-Tetrachlorobenzene", + "names": [ + "1,2,3,4-Tetrachlorobenzene" + ] + }, + { + "compound_id": "C18237", + "inchi": "InChI=1/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2/t2-,3+,9-;;;/m1.../s1/fC10H12N5O6PS2.Mo.2O/h23-24h,13-14,17-18H,11H2;;;/q-2;m;;", + "name": "Molybdoenzyme molybdenum cofactor", + "names": [ + "Molybdoenzyme molybdenum cofactor" + ] + }, + { + "compound_id": "C18238", + "inchi": "InChI=1S/C6H4Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h5-6,11-12H/t5-,6+", + "name": "cis-Chlorobenzene dihydrodiol", + "names": [ + "cis-Chlorobenzene dihydrodiol" + ] + }, + { + "compound_id": "C18239", + "inchi": "InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1", + "name": "Precursor Z", + "names": [ + "Cyclic pyranopterin monophoshate", + "Precursor Z", + "cPMP" + ] + }, + { + "compound_id": "C18240", + "inchi": "InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H", + "name": "Tetrachlorocatechol", + "names": [ + "Tetrachloro-1,2-benzenediol", + "Tetrachlorocatechol" + ] + }, + { + "compound_id": "C18241", + "inchi": "InChI=1S/C6H2Cl4O4/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h(H,11,12)(H,13,14)/b3-1-,4-2-", + "name": "Tetrachloro-cis,cis-muconate", + "names": [ + "Tetrachloro-cis,cis-muconate" + ] + }, + { + "compound_id": "C18242", + "inchi": "InChI=1S/C6HCl3O4/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h(H,10,11)/b4-3+", + "name": "2,3,5-Trichlorodienelactone", + "names": [ + "2,3,5-Trichlorodienelactone" + ] + }, + { + "compound_id": "C18243", + "inchi": "InChI=1S/C6H3Cl3O5/c7-1(2(8)5(11)12)4(10)3(9)6(13)14/h3H,(H,11,12)(H,13,14)/b2-1-", + "name": "2,3,5-Trichloromaleylacetate", + "names": [ + "2,3,5-Trichloromaleylacetate" + ] + }, + { + "compound_id": "C18244", + "inchi": "InChI=1S/C6H6Cl2O5/c7-2(1-3(9)10)5(11)4(8)6(12)13/h2,4H,1H2,(H,9,10)(H,12,13)", + "name": "2,4-Dichloro-3-oxoadipate", + "names": [ + "2,4-Dichloro-3-oxoadipate" + ] + }, + { + "compound_id": "C18245", + "inchi": "InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14+,15+/m1/s1", + "name": "8-epi-Cedrol", + "names": [ + "8-epi-Cedrol" + ] + }, + { + "compound_id": "C18246", + "inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3", + "name": "1,1,1-Trichloroethane", + "names": [ + "1,1,1-Trichloroethane", + "Methylchloroform" + ] + }, + { + "compound_id": "C18247", + "inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3", + "name": "1,1-Dichloroethane", + "names": [ + "1,1-Dichloroethane" + ] + }, + { + "compound_id": "C18248", + "inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3", + "name": "Chloroethane", + "names": [ + "Chloroethane", + "Ethyl chloride" + ] + }, + { + "compound_id": "C18249", + "inchi": "InChI=1S/C16H12O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8,15-18H/t15-,16+", + "name": "cis-4,5-Dihydroxy-4,5-dihydropyrene", + "names": [ + "cis-4,5-Dihydro-4,5-pyrenediol", + "cis-4,5-Dihydroxy-4,5-dihydropyrene" + ] + }, + { + "compound_id": "C18250", + "inchi": "InChI=1S/C16H10O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8,17-18H", + "name": "4,5-Dihydroxypyrene", + "names": [ + "4,5-Dihydroxypyrene" + ] + }, + { + "compound_id": "C18251", + "inchi": "InChI=1S/C16H8O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8H", + "name": "Pyrene-4,5-dione", + "names": [ + "4,5-Pyrenequinone", + "Pyrene-4,5-dione" + ] + }, + { + "compound_id": "C18252", + "inchi": "InChI=1S/C16H10O4/c17-15(18)11-5-1-3-9-7-8-10-4-2-6-12(16(19)20)14(10)13(9)11/h1-8H,(H,17,18)(H,19,20)", + "name": "Phenanthrene-4,5-dicarboxylate", + "names": [ + "Phenanthrene-4,5-dicarboxylate" + ] + }, + { + "compound_id": "C18253", + "inchi": "InChI=1S/C15H10O2/c16-15(17)13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H,(H,16,17)", + "name": "Phenanthrene-4-carboxylate", + "names": [ + "4-Phenanthroic acid", + "Phenanthrene-4-carboxylate" + ] + }, + { + "compound_id": "C18254", + "inchi": "InChI=1S/C16H10O/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-16(12)17-15/h1-8,15-16H", + "name": "Pyrene-4,5-oxide", + "names": [ + "Pyrene-4,5-epoxide", + "Pyrene-4,5-oxide" + ] + }, + { + "compound_id": "C18255", + "inchi": "InChI=1S/C16H12O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8,15-18H/t15-,16-/m0/s1", + "name": "trans-4,5-Dihydroxy-4,5-dihydropyrene", + "names": [ + "trans-4,5-Dihydroxy-4,5-dihydropyrene", + "trans-4,5-Pyrenedihydrodiol" + ] + }, + { + "compound_id": "C18256", + "inchi": "InChI=1S/C15H12O4/c16-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15(12,19)14(17)18/h1-8,12,16,19H,(H,17,18)/t12-,15-/m1/s1", + "name": "cis-3,4-Phenanthrenedihydrodiol-4-carboxylate", + "names": [ + "cis-3,4-Phenanthrenedihydrodiol-4-carboxylate" + ] + }, + { + "compound_id": "C18257", + "inchi": "InChI=1S/C16H8O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H", + "name": "Pyrene-1,6-dione", + "names": [ + "1,6-Pyrenequinone", + "Pyrene-1,6-dione" + ] + }, + { + "compound_id": "C18258", + "inchi": "InChI=1S/C16H8O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H", + "name": "Pyrene-1,8-dione", + "names": [ + "1,8-Pyrenequinone", + "Pyrene-1,8-dione" + ] + }, + { + "compound_id": "C18259", + "inchi": "InChI=1S/C17H12O/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H3", + "name": "1-Methoxypyrene", + "names": [ + "1-Methoxypyrene" + ] + }, + { + "compound_id": "C18260", + "inchi": "InChI=1S/C18H14O2/c1-19-15-9-5-11-4-8-14-16(20-2)10-6-12-3-7-13(15)17(11)18(12)14/h3-10H,1-2H3", + "name": "1,6-Dimethoxypyrene", + "names": [ + "1,6-Dimethoxypyrene" + ] + }, + { + "compound_id": "C18261", + "inchi": "InChI=1S/C17H12O2/c1-19-15-9-5-11-2-6-12-14(18)8-4-10-3-7-13(15)17(11)16(10)12/h2-9,18H,1H3", + "name": "1-Hydroxy-6-methoxypyrene", + "names": [ + "1-Hydroxy-6-methoxypyrene", + "6-Methoxy-1-pyrenol" + ] + }, + { + "compound_id": "C18262", + "inchi": "InChI=1S/C17H12O2/c1-18-13-7-4-9-2-6-12-16-10(8-14-17(12)19-14)3-5-11(13)15(9)16/h2-8,14,17H,1H3", + "name": "1-Methoxypyrene-6,7-oxide", + "names": [ + "1-Methoxypyrene-6,7-oxide" + ] + }, + { + "compound_id": "C18263", + "inchi": "InChI=1S/C16H10O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8,17-18H", + "name": "1,6-Dihydroxypyrene", + "names": [ + "1,6-Dihydroxypyrene", + "1,6-Pyrenediol" + ] + }, + { + "compound_id": "C18264", + "inchi": "InChI=1S/C16H10O2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8,17-18H", + "name": "1,8-Dihydroxypyrene", + "names": [ + "1,8-Dihydroxypyrene", + "1,8-Pyrenediol" + ] + }, + { + "compound_id": "C18265", + "inchi": "InChI=1S/C16H10O2/c17-12-6-3-8-1-5-11-15-9(7-13-16(11)18-13)2-4-10(12)14(8)15/h1-7,13,16-17H", + "name": "1-Hydroxypyrene-6,7-oxide", + "names": [ + "1-Hydroxypyrene-6,7-oxide" + ] + }, + { + "compound_id": "C18266", + "inchi": "InChI=1S/C16H10O2/c17-12-6-3-8-1-2-9-7-13-16(18-13)11-5-4-10(12)14(8)15(9)11/h1-7,13,16-17H", + "name": "1-Hydroxypyrene-7,8-oxide", + "names": [ + "1-Hydroxypyrene-7,8-oxide" + ] + }, + { + "compound_id": "C18267", + "inchi": "InChI=1S/C16H10O/c1-2-9-4-5-11-8-13-16(17-13)12-7-6-10(3-1)14(9)15(11)12/h1-8,13,16H", + "name": "Pyrene-1,2-oxide", + "names": [ + "Pyrene-1,2-oxide" + ] + }, + { + "compound_id": "C18268", + "inchi": "InChI=1S/C16H10O/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9,17H", + "name": "2-Hydroxypyrene", + "names": [ + "2-Hydroxypyrene", + "2-Pyrenol" + ] + }, + { + "compound_id": "C18269", + "inchi": "InChI=1S/C16H10O4S/c17-21(18,19)20-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H,17,18,19)", + "name": "1-Pyrenylsulfate", + "names": [ + "1-Pyrenylsulfate" + ] + }, + { + "compound_id": "C18270", + "inchi": "InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20+/m1/s1", + "name": "Benzo[a]pyrene-cis-4,5-dihydrodiol", + "names": [ + "Benzo[a]pyrene-cis-4,5-dihydrodiol" + ] + }, + { + "compound_id": "C18271", + "inchi": "InChI=1S/C20H12O4/c21-16(20(23)24)9-8-14-15-7-6-12-3-1-2-11-4-5-13(10-17(14)22)19(15)18(11)12/h1-10,22H,(H,23,24)/b9-8-", + "name": "cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate", + "names": [ + "cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate" + ] + }, + { + "compound_id": "C18272", + "inchi": "InChI=1S/C20H12O4/c21-16(20(23)24)9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)22)18(13)17(11)12/h1-10,22H,(H,23,24)/b9-7-", + "name": "cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate", + "names": [ + "cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate" + ] + }, + { + "compound_id": "C18273", + "inchi": "InChI=1S/C17H12O2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19)", + "name": "7,8-Dihydropyrene-8-carboxylate", + "names": [ + "1,2-Dihydropyrene-1-carboxylate", + "7,8-Dihydropyrene-8-carboxylate" + ] + }, + { + "compound_id": "C18274", + "inchi": "InChI=1S/C17H12O2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-8,14H,9H2,(H,18,19)", + "name": "7,8-Dihydropyrene-7-carboxylate", + "names": [ + "1,2-Dihydropyrene-2-carboxylate", + "7,8-Dihydropyrene-7-carboxylate" + ] + }, + { + "compound_id": "C18275", + "inchi": "InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1", + "name": "Benzo[a]pyrene-cis-7,8-dihydrodiol", + "names": [ + "Benzo[a]pyrene-cis-7,8-dihydrodiol" + ] + }, + { + "compound_id": "C18276", + "inchi": "InChI=1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20-/m1/s1", + "name": "Benzo[a]pyrene-cis-9,10-dihydrodiol", + "names": [ + "Benzo[a]pyrene-cis-9,10-dihydrodiol" + ] + }, + { + "compound_id": "C18277", + "inchi": "InChI=1S/C20H12O4/c21-19(22)15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(23)24)18(14)17(11)15/h1-10H,(H,21,22)(H,23,24)", + "name": "4,5-Chrysenedicarboxylate", + "names": [ + "4,5-Chrysenedicarboxylate" + ] + }, + { + "compound_id": "C18278", + "inchi": "InChI=1S/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H", + "name": "9,10-Dihydroxybenzo[a]pyrene", + "names": [ + "9,10-Dihydroxybenzo[a]pyrene", + "Benzo[a]pyrene-9,10-diol" + ] + }, + { + "compound_id": "C18279", + "inchi": "InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,21-22H", + "name": "4,5-Dihydroxybenzo[a]pyrene", + "names": [ + "4,5-Dihydroxybenzo[a]pyrene", + "Benzo[a]pyrene-4,5-diol" + ] + }, + { + "compound_id": "C18280", + "inchi": "InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,21-22H", + "name": "11,12-Dihydroxybenzo[a]pyrene", + "names": [ + "11,12-Dihydroxybenzo[a]pyrene", + "Benzo[a]pyrene-11,12-diol" + ] + }, + { + "compound_id": "C18281", + "inchi": "InChI=1S/C19H10O2/c20-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(19(14)21-16)18(13)17(11)12/h1-10H", + "name": "10-Oxabenzo[def]chrysen-9-one", + "names": [ + "10-Oxabenzo[def]chrysen-9-one", + "9H-Pyreno[1,2-b]pyran-9-one" + ] + }, + { + "compound_id": "C18282", + "inchi": "InChI=1S/C19H12O2/c20-19(21)17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1-11H,(H,20,21)", + "name": "5-Chrysenecarboxylate", + "names": [ + "5-Chrysenecarboxylate" + ] + }, + { + "compound_id": "C18283", + "inchi": "InChI=1S/C19H12O2/c20-19(21)17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11H,(H,20,21)", + "name": "4-Chrysenecarboxylate", + "names": [ + "4-Chrysenecarboxylate" + ] + }, + { + "compound_id": "C18284", + "inchi": "InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20+/m1/s1", + "name": "Benzo[a]pyrene-cis-11,12-dihydrodiol", + "names": [ + "Benzo[a]pyrene-cis-11,12-dihydrodiol" + ] + }, + { + "compound_id": "C18285", + "inchi": "InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20-/m1/s1", + "name": "Benzo[a]pyrene-trans-11,12-dihydrodiol", + "names": [ + "Benzo[a]pyrene-trans-11,12-dihydrodiol" + ] + }, + { + "compound_id": "C18286", + "inchi": "InChI=1S/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H", + "name": "Benzo[a]pyrene-11,12-epoxide", + "names": [ + "Benzo[a]pyrene-11,12-epoxide" + ] + }, + { + "compound_id": "C18287", + "inchi": null, + "name": "Monocyte locomotion inhibitory factor", + "names": [ + "MLIF", + "Monocyte locomotion inhibitory factor" + ] + }, + { + "compound_id": "C18288", + "inchi": null, + "name": "Core protein", + "names": [ + "Capsid protein C", + "Core protein" + ] + }, + { + "compound_id": "C18289", + "inchi": null, + "name": "Envelope glycoprotein E2", + "names": [ + "Envelope glycoprotein E2", + "NS1" + ] + }, + { + "compound_id": "C18290", + "inchi": null, + "name": "Serine protease NS3", + "names": [ + "Serine protease NS3" + ] + }, + { + "compound_id": "C18291", + "inchi": null, + "name": "Non-structural protein 4A", + "names": [ + "NS4A", + "Non-structural protein 4A" + ] + }, + { + "compound_id": "C18292", + "inchi": null, + "name": "Non-structural protein 5A", + "names": [ + "NS5A", + "Non-structural protein 5A" + ] + }, + { + "compound_id": "C18293", + "inchi": null, + "name": "Nonaketamide monocyclic intermediate", + "names": [ + "Nonaketamide monocyclic intermediate" + ] + }, + { + "compound_id": "C18294", + "inchi": null, + "name": "Nonaketamide tricyclic intermediate", + "names": [ + "Nonaketamide tricyclic intermediate" + ] + }, + { + "compound_id": "C18295", + "inchi": "InChI=1S/C19H13NO6/c20-19(26)15-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)16(23)13(8)17(24)14(9)18(15)25/h1-6,21-25H,(H2,20,26)", + "name": "Pretetramid", + "names": [ + "Pretetramid", + "Pretetramide" + ] + }, + { + "compound_id": "C18296", + "inchi": "InChI=1S/C22H22N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,13-14,17,25,27-28,32-33H,1-3H3,(H2,23,31)/t13-,14+,17+,21-,22+/m1/s1", + "name": "5a,11a-Dehydrooxytetracycline", + "names": [ + "5a,11a-Dehydrooxytetracycline" + ] + }, + { + "compound_id": "C18297", + "inchi": "InChI=1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-28,32H,6H2,1-3H3,(H2,24,31)/t9-,16-,22-/m0/s1", + "name": "Anhydrochlortetracycline", + "names": [ + "Anhydro-7-chlorotetracycline", + "Anhydrochlortetracycline" + ] + }, + { + "compound_id": "C18298", + "inchi": "InChI=1S/C22H21ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,8,15,26,28,32-33H,6H2,1-3H3,(H2,24,31)/t8-,15-,21-,22-/m0/s1", + "name": "5a,11a-Dehydrochlortetracycline", + "names": [ + "5a,11a-Dehydro-7-chlorotetracycline", + "5a,11a-Dehydrochlortetracycline", + "Dehydrochlortetracycline" + ] + }, + { + "compound_id": "C18299", + "inchi": "InChI=1S/C20H17ClN2O7/c1-5-6-4-7-14(22)16(26)13(19(23)29)18(28)20(7,30)17(27)11(6)15(25)12-9(24)3-2-8(21)10(5)12/h2-3,7,14,24-26,30H,4,22H2,1H3,(H2,23,29)/t7-,14-,20-/m0/s1", + "name": "4-Aminoanhydrochlortetracycline", + "names": [ + "4-Aminoanhydro-7-chlorotetracycline", + "4-Aminoanhydrochlortetracycline" + ] + }, + { + "compound_id": "C18300", + "inchi": "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3", + "name": "2,4-Dichlorotoluene", + "names": [ + "2,4-Dichlorotoluene" + ] + }, + { + "compound_id": "C18301", + "inchi": "InChI=1S/C7H8Cl2O2/c1-3-4(8)2-5(9)7(11)6(3)10/h2,6-7,10-11H,1H3/t6-,7+/m1/s1", + "name": "4,6-Dichloro-3-methyl-cis-1,2-dihydroxycyclohexa-3,5-diene", + "names": [ + "4,6-Dichloro-3-methyl-cis-1,2-dihydroxycyclohexa-3,5-diene" + ] + }, + { + "compound_id": "C18302", + "inchi": "InChI=1S/C7H6Cl2O2/c1-3-4(8)2-5(9)7(11)6(3)10/h2,10-11H,1H3", + "name": "4,6-Dichloro-3-methylcatechol", + "names": [ + "4,6-Dichloro-3-methylcatechol" + ] + }, + { + "compound_id": "C18303", + "inchi": "InChI=1S/C7H6Cl2O4/c1-3(6(10)11)4(8)2-5(9)7(12)13/h2H,1H3,(H,10,11)(H,12,13)/b4-3+,5-2+", + "name": "3,5-Dichloro-2-methylmuconate", + "names": [ + "3,5-Dichloro-2-methylmuconate" + ] + }, + { + "compound_id": "C18304", + "inchi": "InChI=1S/C7H5ClO4/c1-3(6(9)10)5-2-4(8)7(11)12-5/h2H,1H3,(H,9,10)/b5-3+", + "name": "2-Chloro-5-methyl-cis-dienelactone", + "names": [ + "2-Chloro-5-methyl-cis-dienelactone" + ] + }, + { + "compound_id": "C18305", + "inchi": "InChI=1S/C7H7ClO5/c1-3(6(10)11)5(9)2-4(8)7(12)13/h2-3H,1H3,(H,10,11)(H,12,13)/b4-2+", + "name": "2-Chloro-5-methylmaleylacetate", + "names": [ + "2-Chloro-5-methylmaleylacetate" + ] + }, + { + "compound_id": "C18306", + "inchi": "InChI=1S/C7H8O5/c1-4(7(11)12)5(8)2-3-6(9)10/h2-4H,1H3,(H,9,10)(H,11,12)/b3-2-", + "name": "5-Methylmaleylacetate", + "names": [ + "5-Methylmaleylacetate" + ] + }, + { + "compound_id": "C18307", + "inchi": "InChI=1S/C7H10O5/c1-4(7(11)12)5(8)2-3-6(9)10/h4H,2-3H2,1H3,(H,9,10)(H,11,12)", + "name": "2-Methyl-3-oxoadipate", + "names": [ + "2-Methyl-3-oxoadipate" + ] + }, + { + "compound_id": "C18308", + "inchi": "InChI=1S/C7H6Cl2O4/c1-2-3(8)5(13-7(2)12)4(9)6(10)11/h4-5H,1H3,(H,10,11)", + "name": "3,5-Dichloro-2-methylmuconolactone", + "names": [ + "3,5-Dichloro-2-methylmuconolactone" + ] + }, + { + "compound_id": "C18309", + "inchi": "InChI=1S/C7H5ClO4/c1-3-6(8)4(2-5(9)10)12-7(3)11/h2H,1H3,(H,9,10)/b4-2-", + "name": "3-Chloro-2-methyldienelactone", + "names": [ + "3-Chloro-2-methyldienelactone" + ] + }, + { + "compound_id": "C18310", + "inchi": "InChI=1S/C7H7ClO5/c1-3(7(12)13)6(8)4(9)2-5(10)11/h2H2,1H3,(H,10,11)(H,12,13)/b6-3+", + "name": "3-Chloro-2-methylmaleylacetate", + "names": [ + "3-Chloro-2-methylmaleylacetate" + ] + }, + { + "compound_id": "C18311", + "inchi": "InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2-3H2,1H3,(H,8,9)", + "name": "4-Methyl-3-oxoadipate-enol-lactone", + "names": [ + "4-Methyl-3-oxoadipate-enol-lactone" + ] + }, + { + "compound_id": "C18312", + "inchi": "InChI=1S/C7H10O5/c1-4(2-6(9)10)5(8)3-7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)", + "name": "4-Methyl-3-oxoadipate", + "names": [ + "4-Methyl-3-oxoadipate" + ] + }, + { + "compound_id": "C18313", + "inchi": null, + "name": "LL-37", + "names": [ + "LL-37" + ] + }, + { + "compound_id": "C18314", + "inchi": "InChI=1S/C8H8O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,4,6,9-10H,(H,11,12)(H,13,14)/t4-,6-/m0/s1", + "name": "Phthalate 3,4-cis-dihydrodiol", + "names": [ + "Phthalate 3,4-cis-dihydrodiol" + ] + }, + { + "compound_id": "C18315", + "inchi": "InChI=1S/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3", + "name": "4-Methyl-5-nitrocatechol", + "names": [ + "4-Methyl-5-nitrocatechol" + ] + }, + { + "compound_id": "C18316", + "inchi": "InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3", + "name": "2-Hydroxy-5-methylquinone", + "names": [ + "2-Hydroxy-5-methyl-1,4-benzoquinone", + "2-Hydroxy-5-methylquinone" + ] + }, + { + "compound_id": "C18317", + "inchi": "InChI=1S/C7H8O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,8-10H,1H3", + "name": "2,4,5-Trihydroxytoluene", + "names": [ + "2,4,5-Trihydroxytoluene" + ] + }, + { + "compound_id": "C18318", + "inchi": "InChI=1S/C7H8O5/c1-4(3-8)5(9)2-6(10)7(11)12/h2-3,9-10H,1H3,(H,11,12)/b5-4+,6-2+", + "name": "cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate", + "names": [ + "cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate" + ] + }, + { + "compound_id": "C18319", + "inchi": "InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)", + "name": "2-Methylbutyrate", + "names": [ + "2-Methylbutyrate", + "2-Methylbutyric acid" + ] + }, + { + "compound_id": "C18320", + "inchi": "InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3", + "name": "4-Amino-2-nitrotoluene", + "names": [ + "4-Amino-2-nitrotoluene" + ] + }, + { + "compound_id": "C18321", + "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-", + "name": "(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-Decaprenyl diphosphate", + "names": [ + "(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-Decaprenyl diphosphate" + ] + }, + { + "compound_id": "C18323", + "inchi": "InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,36-37H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8+/t14-,18-,19-,20?,24-/m1/s1", + "name": "Mesaconyl-C4-CoA", + "names": [ + "Mesaconyl-C4-CoA" + ] + }, + { + "compound_id": "C18324", + "inchi": "InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13?,14-,18-,19-,20?,24-/m1/s1", + "name": "Methylsuccinyl-CoA", + "names": [ + "Methylsuccinyl-CoA", + "Methylsuccinyl-coenzyme A" + ] + }, + { + "compound_id": "C18325", + "inchi": "InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+", + "name": "Feruloylagmatine", + "names": [ + "Feruloylagmatine" + ] + }, + { + "compound_id": "C18326", + "inchi": "InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+", + "name": "p-Coumaroylputrescine", + "names": [ + "p-Coumaroylputrescine" + ] + }, + { + "compound_id": "C18327", + "inchi": null, + "name": "7,9,12-Octaketide intermediate 1", + "names": [ + "7,9,12-Octaketide intermediate 1" + ] + }, + { + "compound_id": "C18328", + "inchi": null, + "name": "7,9,12-Octaketide intermediate 2", + "names": [ + "7,9,12-Octaketide intermediate 2" + ] + }, + { + "compound_id": "C18329", + "inchi": null, + "name": "7,9,12-Octaketide intermediate 3", + "names": [ + "7,9,12-Octaketide intermediate 3" + ] + }, + { + "compound_id": "C18330", + "inchi": null, + "name": "7,9,12-Decaketide intermediate 1", + "names": [ + "7,9,12-Decaketide intermediate 1" + ] + }, + { + "compound_id": "C18331", + "inchi": null, + "name": "7,9,12-Decaketide intermediate 2", + "names": [ + "7,9,12-Decaketide intermediate 2" + ] + }, + { + "compound_id": "C18332", + "inchi": null, + "name": "7,9,12-Decaketide intermediate 3", + "names": [ + "7,9,12-Decaketide intermediate 3" + ] + }, + { + "compound_id": "C18333", + "inchi": null, + "name": "7,9,12-Decaketide intermediate 4", + "names": [ + "7,9,12-Decaketide intermediate 4" + ] + }, + { + "compound_id": "C18334", + "inchi": null, + "name": "7,9,12-Decaketide intermediate 5", + "names": [ + "7,9,12-Decaketide intermediate 5" + ] + }, + { + "compound_id": "C18335", + "inchi": null, + "name": "7,9,12-Decaketide intermediate 6", + "names": [ + "7,9,12-Decaketide intermediate 6" + ] + }, + { + "compound_id": "C18336", + "inchi": null, + "name": "7,12-Decaketide intermediate 1", + "names": [ + "7,12-Decaketide intermediate 1" + ] + }, + { + "compound_id": "C18337", + "inchi": null, + "name": "9,14-Decaketide intermediate 1", + "names": [ + "9,14-Decaketide intermediate 1" + ] + }, + { + "compound_id": "C18338", + "inchi": "InChI=1S/C9H8O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)(H,13,14)", + "name": "5-Carboxyvanillic acid", + "names": [ + "4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate", + "4-Hydroxy-5-methoxyisophthalate", + "5-Carboxyvanillate", + "5-Carboxyvanillic acid" + ] + }, + { + "compound_id": "C18339", + "inchi": "InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1", + "name": "L-Ascorbic acid-2-glucoside", + "names": [ + "AA-2G", + "L-Ascorbic acid-2-glucoside" + ] + }, + { + "compound_id": "C18340", + "inchi": "InChI=1S/C6H9O9P.Mg/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;/h2,4,7-9H,1H2,(H2,11,12,13);/q;+2/p-2/t2-,4+;/m0./s1", + "name": "Magnesium L-ascorbic acid-2-phosphate", + "names": [ + "AP", + "Magnesium L-ascorbic acid-2-phosphate", + "VC-PMG" + ] + }, + { + "compound_id": "C18341", + "inchi": "InChI=1/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/t2-,4+;;;/m0.../s1/f/h11-12H;;;", + "name": "Sodium L-ascorbic acid 2-phosphate", + "names": [ + "Sodium L-ascorbic acid 2-phosphate" + ] + }, + { + "compound_id": "C18342", + "inchi": "InChI=1S/C8H12O6/c1-2-13-7-5(11)6(4(10)3-9)14-8(7)12/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1", + "name": "3-o-Ethyl-L-ascorbic acid", + "names": [ + "3-o-Ethyl-L-ascorbic acid", + "L-ascorbic acid ethyl ester" + ] + }, + { + "compound_id": "C18343", + "inchi": "InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3", + "name": "4-n-Butylresorcinol", + "names": [ + "4-n-Butylresorcinol", + "Rucinol (TN)" + ] + }, + { + "compound_id": "C18344", + "inchi": "InChI=1S/C10H14N5O7P.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1", + "name": "Adenosine 5'-phosphate disodium", + "names": [ + "Adenosine 5'-phosphate disodium" + ] + }, + { + "compound_id": "C18345", + "inchi": "InChI=1S/C8H8O7/c1-15-6(10)3-4(7(11)12)2-5(9)8(13)14/h2-3,9H,1H3,(H,11,12)(H,13,14)/b4-3+,5-2+", + "name": "4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate", + "names": [ + "4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate" + ] + }, + { + "compound_id": "C18346", + "inchi": "InChI=1/C8H8O4.K/c1-12-5-2-3-6(8(10)11)7(9)4-5;/h2-4,9H,1H3,(H,10,11);/f/h10H;", + "name": "4-Methoxy potassium salicylate", + "names": [ + "4-Methoxy potassium salicylate" + ] + }, + { + "compound_id": "C18347", + "inchi": "InChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)", + "name": "5,5'-Dehydrodivanillate", + "names": [ + "5,5'-Dehydrodivanillate" + ] + }, + { + "compound_id": "C18348", + "inchi": "InChI=1S/C15H12O8/c1-23-11-5-7(15(21)22)3-9(13(11)18)8-2-6(14(19)20)4-10(16)12(8)17/h2-5,16-18H,1H3,(H,19,20)(H,21,22)", + "name": "2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl", + "names": [ + "2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl" + ] + }, + { + "compound_id": "C18349", + "inchi": "InChI=1S/C15H12O10/c1-25-11-5-6(13(19)20)2-8(12(11)18)9(16)3-7(14(21)22)4-10(17)15(23)24/h2-5,17-18H,1H3,(H,19,20)(H,21,22)(H,23,24)/b7-3+,10-4+", + "name": "4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate", + "names": [ + "4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate" + ] + }, + { + "compound_id": "C18350", + "inchi": "InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)", + "name": "Asulam", + "names": [ + "Asulam" + ] + }, + { + "compound_id": "C18351", + "inchi": "InChI=1S/C6H7NO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H,7H2", + "name": "4-Aminocatechol", + "names": [ + "3,4-Dihydroxyaniline", + "4-Amino-1,2-benzenediol", + "4-Aminocatechol" + ] + }, + { + "compound_id": "C18352", + "inchi": "InChI=1S/C10H14O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h6-7H,3-5H2,1-2H3", + "name": "Oxocamphor", + "names": [ + "10-Oxocamphor", + "Oxocamphor", + "beta-Oxocamphor" + ] + }, + { + "compound_id": "C18353", + "inchi": null, + "name": "Octaketide bicyclic intermediate", + "names": [ + "Octaketide bicyclic intermediate" + ] + }, + { + "compound_id": "C18354", + "inchi": "InChI=1S/C16H16O6/c1-8(17)14-10(6-11(18)7-13(20)21)5-9-3-2-4-12(19)15(9)16(14)22/h2-4,11,18-19H,5-7H2,1H3,(H,20,21)/t11-/m0/s1", + "name": "(S)-Chiral alcohol", + "names": [ + "(S)-Chiral alcohol" + ] + }, + { + "compound_id": "C18355", + "inchi": null, + "name": "(R)-Chiral alcohol", + "names": [ + "(R)-Chiral alcohol" + ] + }, + { + "compound_id": "C18356", + "inchi": "InChI=1S/C16H16O6/c1-16(21)14-9(6-10(22-16)7-12(18)19)5-8-3-2-4-11(17)13(8)15(14)20/h2-4,10,17,21H,5-7H2,1H3,(H,18,19)/t10-,16?/m0/s1", + "name": "(S)-Hemiketal", + "names": [ + "(S)-Hemiketal" + ] + }, + { + "compound_id": "C18357", + "inchi": null, + "name": "(R)-Hemiketal", + "names": [ + "(R)-Hemiketal" + ] + }, + { + "compound_id": "C18358", + "inchi": "InChI=1S/C16H16O7/c1-6-12-8(4-7(23-6)5-11(19)20)15(21)13-9(17)2-3-10(18)14(13)16(12)22/h2-3,6-7,17-18,21-22H,4-5H2,1H3,(H,19,20)/t6-,7+/m1/s1", + "name": "DHK-OH", + "names": [ + "DHK-OH", + "Hydroxylated dihydrokalafungin" + ] + }, + { + "compound_id": "C18359", + "inchi": "InChI=1S/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,28-30H,3-5H2,1-2H3,(H,24,25)/t6-,7+,8+,10+,11+,22+/m0/s1", + "name": "Dihydrogranaticin", + "names": [ + "Dihydrogranaticin" + ] + }, + { + "compound_id": "C18360", + "inchi": "InChI=1S/C16H16O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17,20-21H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1", + "name": "Dihydrokalafungin dihydroquinone form", + "names": [ + "DHKred", + "Dihydrokalafungin dihydroquinone form" + ] + }, + { + "compound_id": "C18361", + "inchi": "InChI=1S/C22H28FN3O3.CH4O3S/c1-17(27)24-18-8-9-21(22(16-18)28-2)29-15-5-10-25-11-13-26(14-12-25)20-7-4-3-6-19(20)23;1-5(2,3)4/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27);1H3,(H,2,3,4)", + "name": "Mafoprazine mesylate", + "names": [ + "Mafoprazine mesylate" + ] + }, + { + "compound_id": "C18362", + "inchi": "InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3", + "name": "Tepoxalin", + "names": [ + "Tepoxalin" + ] + }, + { + "compound_id": "C18363", + "inchi": "InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3", + "name": "Firocoxib", + "names": [ + "Firocoxib" + ] + }, + { + "compound_id": "C18364", + "inchi": "InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)", + "name": "Carprofen", + "names": [ + "Carprofen" + ] + }, + { + "compound_id": "C18365", + "inchi": "InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)", + "name": "Carbetocin", + "names": [ + "Carbetocin" + ] + }, + { + "compound_id": "C18366", + "inchi": "InChI=1S/HIO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1", + "name": "Sodium iodate", + "names": [ + "Sodium iodate" + ] + }, + { + "compound_id": "C18367", + "inchi": "InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1", + "name": "Malachite green", + "names": [ + "Malachite green" + ] + }, + { + "compound_id": "C18368", + "inchi": "InChI=1S/ClHO2/c2-1-3/h1H", + "name": "Chlorine dioxide", + "names": [ + "Chlorine dioxide", + "Chlorine peroxide" + ] + }, + { + "compound_id": "C18369", + "inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3", + "name": "dl-Camphor", + "names": [ + "Camphor", + "dl-Camphor" + ] + }, + { + "compound_id": "C18370", + "inchi": null, + "name": "Alkyldiaminoethylglycine hydrochloride", + "names": [ + "Alkyldiaminoethylglycine hydrochloride", + "Alkylpolyaminoethylglycine hydrochloride" + ] + }, + { + "compound_id": "C18371", + "inchi": "InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1", + "name": "Stearyltrimethylammonium chloride", + "names": [ + "1-Octadecanaminium, N,N,N-trimethyl-, chloride", + "Stearyltrimethylammonium chloride" + ] + }, + { + "compound_id": "C18372", + "inchi": "InChI=1S/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)", + "name": "Chlorhexidine acetate", + "names": [ + "Chlorhexidine acetate" + ] + }, + { + "compound_id": "C18373", + "inchi": "InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3", + "name": "Tetramethrin", + "names": [ + "Neo-pynamin", + "Phthalthrin", + "Tetramethrin" + ] + }, + { + "compound_id": "C18374", + "inchi": "InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1", + "name": "Clostebol acetate", + "names": [ + "Clostebol acetate" + ] + }, + { + "compound_id": "C18375", + "inchi": "InChI=1S/C22H27ClO5/c1-12(24)22(28-13(2)25)8-6-16-14-9-18(23)17-10-19(26)27-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1", + "name": "Osaterone acetate", + "names": [ + "Osaterone acetate" + ] + }, + { + "compound_id": "C18376", + "inchi": "InChI=1S/C17H26N4O3S2.ClH/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18;/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20);1H/b16-12+;", + "name": "Fursultiamine hydrochloride", + "names": [ + "Fursultiamine hydrochloride" + ] + }, + { + "compound_id": "C18377", + "inchi": "InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15+,22-16+", + "name": "Thiamine disulfide", + "names": [ + "Thiamine disulfide" + ] + }, + { + "compound_id": "C18378", + "inchi": "InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1", + "name": "Menadione sodium bisulfite", + "names": [ + "Menadione sodium bisulfite" + ] + }, + { + "compound_id": "C18379", + "inchi": "InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2", + "name": "Calcium propionate", + "names": [ + "Calcium propionate" + ] + }, + { + "compound_id": "C18380", + "inchi": "InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2", + "name": "Calcium levulinate anhydrous", + "names": [ + "Calcium levulinate anhydrous" + ] + }, + { + "compound_id": "C18381", + "inchi": "InChI=1S/Ca.2HI/h;2*1H/q+2;;/p-2", + "name": "Calcium iodide", + "names": [ + "Calcium iodide" + ] + }, + { + "compound_id": "C18382", + "inchi": "InChI=1S/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H", + "name": "Ethylendiamine dihydroiodide", + "names": [ + "EDDI", + "Ethylendiamine dihydroiodide" + ] + }, + { + "compound_id": "C18383", + "inchi": null, + "name": "Sodium chondroitin sulfate", + "names": [ + "Sodium chondroitin sulfate" + ] + }, + { + "compound_id": "C18384", + "inchi": "InChI=1S/2C3H6O2.Mg/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2", + "name": "Magnesium dipropionate", + "names": [ + "Magnesium dipropionate" + ] + }, + { + "compound_id": "C18385", + "inchi": "InChI=1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2", + "name": "Sodium selenite", + "names": [ + "Sodium selenite" + ] + }, + { + "compound_id": "C18386", + "inchi": "InChI=1S/C12H13N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3;/q-1;+1", + "name": "Sulfadimethoxine sodium", + "names": [ + "Sulfadimethoxine sodium" + ] + }, + { + "compound_id": "C18387", + "inchi": "InChI=1S/C12H13N3O4S2/c13-8-1-4-10(5-2-8)20(16,17)11-6-3-9(14)7-12(11)21(15,18)19/h1-7H,13-14H2,(H2,15,18,19)", + "name": "Sulfamoyldapsone", + "names": [ + "Sulfamoyldapsone" + ] + }, + { + "compound_id": "C18388", + "inchi": "InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)", + "name": "Diminazene", + "names": [ + "Diminazene" + ] + }, + { + "compound_id": "C18389", + "inchi": "InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)", + "name": "Nicarbazin", + "names": [ + "Nicarbazin" + ] + }, + { + "compound_id": "C18390", + "inchi": "InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1", + "name": "Emodepside", + "names": [ + "Emodepside" + ] + }, + { + "compound_id": "C18391", + "inchi": "InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1", + "name": "Dithiazanine iodide", + "names": [ + "Dithiazanine iodide" + ] + }, + { + "compound_id": "C18392", + "inchi": "InChI=1S/C12H7Br4O5P/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)21-22(18,19)20/h1-4,17H,(H2,18,19,20)", + "name": "Bromofenofos", + "names": [ + "Bromofenofos" + ] + }, + { + "compound_id": "C18393", + "inchi": "InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H", + "name": "Disophenol", + "names": [ + "2,6-Diiod-4-nitrophenol", + "Disophenol" + ] + }, + { + "compound_id": "C18394", + "inchi": "InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3", + "name": "Anilofos", + "names": [ + "Anilofos" + ] + }, + { + "compound_id": "C18395", + "inchi": "InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3", + "name": "Cadusafos", + "names": [ + "Cadusafos" + ] + }, + { + "compound_id": "C18396", + "inchi": "InChI=1S/C8H11NO/c1-10-7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3", + "name": "Methyridine", + "names": [ + "Methyridine" + ] + }, + { + "compound_id": "C18397", + "inchi": "InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3", + "name": "Cyanophos", + "names": [ + "Cyanophos" + ] + }, + { + "compound_id": "C18398", + "inchi": "InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3", + "name": "Dichlofenthion", + "names": [ + "Dichlofenthion" + ] + }, + { + "compound_id": "C18399", + "inchi": "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)", + "name": "Ethephon", + "names": [ + "Ethephon" + ] + }, + { + "compound_id": "C18400", + "inchi": "InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3", + "name": "Disulfoton", + "names": [ + "Disulfoton", + "Ethylthiometon" + ] + }, + { + "compound_id": "C18401", + "inchi": "InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)", + "name": "Fosetyl", + "names": [ + "Fosetyl" + ] + }, + { + "compound_id": "C18402", + "inchi": "InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3", + "name": "Fosthiazate", + "names": [ + "Fosthiazate" + ] + }, + { + "compound_id": "C18403", + "inchi": "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3", + "name": "Pirimiphos-methyl", + "names": [ + "Pirimiphos-methyl", + "Pirimiphosmethyl" + ] + }, + { + "compound_id": "C18404", + "inchi": "InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3", + "name": "Profenofos", + "names": [ + "Profenofos" + ] + }, + { + "compound_id": "C18405", + "inchi": "InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3", + "name": "Prothiofos", + "names": [ + "Prothiofos" + ] + }, + { + "compound_id": "C18406", + "inchi": "InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3", + "name": "Pyraclofos", + "names": [ + "Pyraclofos" + ] + }, + { + "compound_id": "C18407", + "inchi": "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3", + "name": "Tolclofos-methyl", + "names": [ + "Tolclofos-methyl" + ] + }, + { + "compound_id": "C18408", + "inchi": "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/t18-,19+,21-/m0/s1", + "name": "Acrinathrin", + "names": [ + "Acrinathrin" + ] + }, + { + "compound_id": "C18409", + "inchi": "InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3", + "name": "Cycloprothrin", + "names": [ + "Cycloprothrin" + ] + }, + { + "compound_id": "C18410", + "inchi": "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3", + "name": "Etofenprox", + "names": [ + "Etofenprox" + ] + }, + { + "compound_id": "C18411", + "inchi": "InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3", + "name": "Fenpropathrin", + "names": [ + "Fenpropathrin" + ] + }, + { + "compound_id": "C18412", + "inchi": "InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3", + "name": "Silafluofen", + "names": [ + "Silafluofen" + ] + }, + { + "compound_id": "C18413", + "inchi": "InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3", + "name": "Tralomethrin", + "names": [ + "Tralomethrin" + ] + }, + { + "compound_id": "C18414", + "inchi": "InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-", + "name": "Alanycarb", + "names": [ + "Alanycarb" + ] + }, + { + "compound_id": "C18415", + "inchi": "InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1", + "name": "Benthiavalicarb isopropyl", + "names": [ + "Benthiavalicarb isopropyl" + ] + }, + { + "compound_id": "C18416", + "inchi": "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3", + "name": "Carbosulfan", + "names": [ + "Carbosulfan" + ] + }, + { + "compound_id": "C18417", + "inchi": "InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)", + "name": "Desmedipham", + "names": [ + "Desmedipham" + ] + }, + { + "compound_id": "C18418", + "inchi": "InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)", + "name": "Isoprocarb", + "names": [ + "Isoprocarb" + ] + }, + { + "compound_id": "C18419", + "inchi": "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-", + "name": "Oxamyl", + "names": [ + "Oxamyl" + ] + }, + { + "compound_id": "C18420", + "inchi": "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)", + "name": "Phenmedipham", + "names": [ + "Phenmedipham" + ] + }, + { + "compound_id": "C18421", + "inchi": "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H", + "name": "Propamocarb hydrochloride", + "names": [ + "Propamocarb hydrochloride" + ] + }, + { + "compound_id": "C18422", + "inchi": "InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3", + "name": "Pyributicarb", + "names": [ + "Pyributicarb" + ] + }, + { + "compound_id": "C18423", + "inchi": "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7-,12-8-", + "name": "Thiodicarb", + "names": [ + "Thiodicarb" + ] + }, + { + "compound_id": "C18424", + "inchi": "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1", + "name": "Metam-sodium", + "names": [ + "Carbam", + "Metam-sodium" + ] + }, + { + "compound_id": "C18425", + "inchi": "InChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21)", + "name": "Cumyluron", + "names": [ + "Cumyluron" + ] + }, + { + "compound_id": "C18426", + "inchi": "InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)", + "name": "Chlorfluazuron", + "names": [ + "Chlorfluazuron" + ] + }, + { + "compound_id": "C18427", + "inchi": "InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)", + "name": "Daimuron", + "names": [ + "Daimuron" + ] + }, + { + "compound_id": "C18428", + "inchi": "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", + "name": "Diuron", + "names": [ + "Diuron" + ] + }, + { + "compound_id": "C18429", + "inchi": "InChI=1S/C18H22FN5O8S/c1-10(19)16(32-14(25)9-29-2)15-11(6-5-7-20-15)33(27,28)24-18(26)23-17-21-12(30-3)8-13(22-17)31-4/h5-8,10,16H,9H2,1-4H3,(H2,21,22,23,24,26)", + "name": "Flucetosulfuron", + "names": [ + "Flucetosulfuron" + ] + }, + { + "compound_id": "C18430", + "inchi": "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)", + "name": "Flufenoxuron", + "names": [ + "Flufenoxuron" + ] + }, + { + "compound_id": "C18431", + "inchi": "InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1", + "name": "Iodosulfuron-methyl-sodium", + "names": [ + "Iodosulfuron-methyl sodium salt", + "Iodosulfuron-methyl-sodium" + ] + }, + { + "compound_id": "C18432", + "inchi": "InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)", + "name": "Isouron", + "names": [ + "Isouron" + ] + }, + { + "compound_id": "C18433", + "inchi": "InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)", + "name": "Karbutilate", + "names": [ + "Karbutilate" + ] + }, + { + "compound_id": "C18434", + "inchi": "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)", + "name": "Lufenuron", + "names": [ + "Lufenuron" + ] + }, + { + "compound_id": "C18435", + "inchi": "InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)", + "name": "Siduron", + "names": [ + "Siduron" + ] + }, + { + "compound_id": "C18436", + "inchi": "InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)", + "name": "Tebuthiuron", + "names": [ + "Tebuthiuron" + ] + }, + { + "compound_id": "C18437", + "inchi": "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)", + "name": "Teflubenzuron", + "names": [ + "Teflubenzuron" + ] + }, + { + "compound_id": "C18438", + "inchi": "InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)", + "name": "Azimsulfuron", + "names": [ + "Azimsulfuron" + ] + }, + { + "compound_id": "C18439", + "inchi": "InChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)", + "name": "Cyclosulfamuron", + "names": [ + "Cyclosulfamuron" + ] + }, + { + "compound_id": "C18440", + "inchi": "InChI=1S/C15H18N4O7S/c1-4-25-10-7-5-6-8-11(10)26-27(21,22)19-15(20)18-14-16-12(23-2)9-13(17-14)24-3/h5-9H,4H2,1-3H3,(H2,16,17,18,19,20)", + "name": "Ethoxysulfuron", + "names": [ + "Ethoxysulfuron" + ] + }, + { + "compound_id": "C18441", + "inchi": "InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)", + "name": "Flazasulfuron", + "names": [ + "Flazasulfuron" + ] + }, + { + "compound_id": "C18442", + "inchi": "InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)", + "name": "Halosulfuron-methyl", + "names": [ + "Halosulfuron-methyl" + ] + }, + { + "compound_id": "C18443", + "inchi": "InChI=1S/C14H13ClN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22)", + "name": "Imazosulfuron", + "names": [ + "Imazosulfuron" + ] + }, + { + "compound_id": "C18444", + "inchi": "InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)", + "name": "Pyrazosulfuron-ethyl", + "names": [ + "Pyrazosulfuron-ethyl" + ] + }, + { + "compound_id": "C18445", + "inchi": "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7", + "name": "Chloropicrin", + "names": [ + "Chloropicrin" + ] + }, + { + "compound_id": "C18446", + "inchi": "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18", + "name": "Dienochlor", + "names": [ + "Dienochlor" + ] + }, + { + "compound_id": "C18447", + "inchi": "InChI=1S/CH3Br/c1-2/h1H3", + "name": "Methyl bromide", + "names": [ + "Methyl bromide" + ] + }, + { + "compound_id": "C18448", + "inchi": "InChI=1S/CH3I/c1-2/h1H3", + "name": "Methyl iodide", + "names": [ + "Methyl iodide" + ] + }, + { + "compound_id": "C18449", + "inchi": "InChI=1S/C4H8N2S4.2H3N/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1H3", + "name": "Amobam", + "names": [ + "Amobam" + ] + }, + { + "compound_id": "C18450", + "inchi": "InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2", + "name": "Propineb", + "names": [ + "Propineb" + ] + }, + { + "compound_id": "C18451", + "inchi": "InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H", + "name": "Tetradifon", + "names": [ + "Tetradifon" + ] + }, + { + "compound_id": "C18452", + "inchi": "InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3", + "name": "Benfuresate", + "names": [ + "Benfuresate" + ] + }, + { + "compound_id": "C18453", + "inchi": "InChI=1/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/f/h24H;", + "name": "Bispyribac-sodium", + "names": [ + "Bispyribac-sodium" + ] + }, + { + "compound_id": "C18454", + "inchi": "InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)", + "name": "Chlorantraniliprole", + "names": [ + "Chlorantraniliprole" + ] + }, + { + "compound_id": "C18455", + "inchi": "InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3", + "name": "Chlorfenapyr", + "names": [ + "Chlorfenapyr" + ] + }, + { + "compound_id": "C18456", + "inchi": "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3", + "name": "Cyproconazole", + "names": [ + "Cyproconazole" + ] + }, + { + "compound_id": "C18457", + "inchi": "InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3", + "name": "Dazomet", + "names": [ + "Dazomet" + ] + }, + { + "compound_id": "C18458", + "inchi": "InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5H,1H3,(H,15,16)", + "name": "Diclomezine", + "names": [ + "Diclomezine" + ] + }, + { + "compound_id": "C18459", + "inchi": "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3", + "name": "Difenoconazole", + "names": [ + "Difenoconazole" + ] + }, + { + "compound_id": "C18460", + "inchi": "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3", + "name": "Echlomezole", + "names": [ + "Echlomezole", + "Etridiazole" + ] + }, + { + "compound_id": "C18461", + "inchi": "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2", + "name": "Fenbuconazole", + "names": [ + "Fenbuconazole" + ] + }, + { + "compound_id": "C18462", + "inchi": "InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H", + "name": "Fludioxonil", + "names": [ + "Fludioxonil" + ] + }, + { + "compound_id": "C18463", + "inchi": "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)", + "name": "Flonicamid", + "names": [ + "Flonicamid" + ] + }, + { + "compound_id": "C18464", + "inchi": "InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)", + "name": "Fluopicolide", + "names": [ + "Fluopicolide" + ] + }, + { + "compound_id": "C18465", + "inchi": "InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3", + "name": "Flurprimidol", + "names": [ + "Flurprimidol" + ] + }, + { + "compound_id": "C18466", + "inchi": "InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3", + "name": "Hexaconazole", + "names": [ + "Hexaconazole" + ] + }, + { + "compound_id": "C18467", + "inchi": "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1", + "name": "Hexythiazox", + "names": [ + "Hexythiazox" + ] + }, + { + "compound_id": "C18468", + "inchi": "InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2/b23-17-", + "name": "Imibenconazole", + "names": [ + "Imibenconazole" + ] + }, + { + "compound_id": "C18469", + "inchi": "InChI=1S/C11H21N4O2PS/c1-4-9-19-18(16,17-6-3)15-8-7-14(5-2)11(15)13-10-12/h4-9H2,1-3H3/b13-11+", + "name": "Imicyafos", + "names": [ + "Imicyafos" + ] + }, + { + "compound_id": "C18470", + "inchi": "InChI=1S/C20H17ClO3/c1-2-19(17(22)15-8-3-4-9-16(15)18(19)23)11-20(12-24-20)13-6-5-7-14(21)10-13/h3-10H,2,11-12H2,1H3", + "name": "Indanofan", + "names": [ + "Indanofan" + ] + }, + { + "compound_id": "C18471", + "inchi": "InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3", + "name": "Ipconazole", + "names": [ + "Ipconazole" + ] + }, + { + "compound_id": "C18472", + "inchi": "InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1", + "name": "L-Capreomycidine", + "names": [ + "(2S,3R)-Capreomycidine", + "L-Capreomycidine" + ] + }, + { + "compound_id": "C18473", + "inchi": "InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1", + "name": "beta-Hydroxyarginine", + "names": [ + "(2S,3S)-Hydroxyarginine", + "(3S)-Hydroxy-(2S)-arginine", + "beta-Hydroxyarginine" + ] + }, + { + "compound_id": "C18474", + "inchi": "InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)", + "name": "Maleic hydrazide", + "names": [ + "Maleic hydrazide" + ] + }, + { + "compound_id": "C18475", + "inchi": "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1", + "name": "Mepiquat chloride", + "names": [ + "Mepiquat chloride" + ] + }, + { + "compound_id": "C18476", + "inchi": "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3", + "name": "Metconazole", + "names": [ + "Metconazole" + ] + }, + { + "compound_id": "C18477", + "inchi": "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3", + "name": "Myclobutanil", + "names": [ + "Myclobutanil" + ] + }, + { + "compound_id": "C18478", + "inchi": "InChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)", + "name": "Oxyquinoline sulfate", + "names": [ + "Oxyquinoline sulfate" + ] + }, + { + "compound_id": "C18479", + "inchi": "InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14?/m0/s1", + "name": "Paclobutrazol", + "names": [ + "Paclobutrazol" + ] + }, + { + "compound_id": "C18480", + "inchi": "InChI=1S/C18H23N3O4/c1-3-5-6-11-25-17(22)16(4-2)21(13-15-8-7-12-24-15)18(23)20-10-9-19-14-20/h3,7-10,12,14,16H,1,4-6,11,13H2,2H3", + "name": "Pefurazoate", + "names": [ + "Pefurazoate" + ] + }, + { + "compound_id": "C18481", + "inchi": "InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)", + "name": "Penoxsulam", + "names": [ + "Penoxsulam" + ] + }, + { + "compound_id": "C18482", + "inchi": "InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)", + "name": "Penthiopyrad", + "names": [ + "Penthiopyrad" + ] + }, + { + "compound_id": "C18483", + "inchi": "InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2", + "name": "Probenazole", + "names": [ + "Probenazole" + ] + }, + { + "compound_id": "C18484", + "inchi": "InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2", + "name": "Pyridalyl", + "names": [ + "Pyridalyl" + ] + }, + { + "compound_id": "C18485", + "inchi": "InChI=1S/C15H14N2O4S/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3", + "name": "Pyriftalid", + "names": [ + "Pyriftalid" + ] + }, + { + "compound_id": "C18486", + "inchi": "InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10+", + "name": "Pyriminobac-methyl", + "names": [ + "Pyriminobac-methyl" + ] + }, + { + "compound_id": "C18487", + "inchi": "InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2", + "name": "Pyroquilon", + "names": [ + "Pyroquilon" + ] + }, + { + "compound_id": "C18488", + "inchi": "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3", + "name": "Spiromesifen", + "names": [ + "Spiromesifen" + ] + }, + { + "compound_id": "C18489", + "inchi": "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3", + "name": "Tebuconazole", + "names": [ + "Tebuconazole" + ] + }, + { + "compound_id": "C18490", + "inchi": "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2", + "name": "Tetraconazole", + "names": [ + "Tetraconazole" + ] + }, + { + "compound_id": "C18491", + "inchi": "InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)", + "name": "Tolfenpyrad", + "names": [ + "Tolfenpyrad" + ] + }, + { + "compound_id": "C18492", + "inchi": "InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3", + "name": "Tricyclazole", + "names": [ + "Tricyclazole" + ] + }, + { + "compound_id": "C18493", + "inchi": "InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+", + "name": "Triflumizole", + "names": [ + "Triflumizole" + ] + }, + { + "compound_id": "C18494", + "inchi": "InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1", + "name": "Uniconazole P", + "names": [ + "Uniconazole P" + ] + }, + { + "compound_id": "C18495", + "inchi": "InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3", + "name": "Etoxazole", + "names": [ + "Etoxazole" + ] + }, + { + "compound_id": "C18496", + "inchi": "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3", + "name": "Oxadiazon", + "names": [ + "Oxadiazon" + ] + }, + { + "compound_id": "C18497", + "inchi": "InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3", + "name": "Cafenstrole", + "names": [ + "Cafenstrole" + ] + }, + { + "compound_id": "C18498", + "inchi": "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+", + "name": "Cymoxanil", + "names": [ + "Cymoxanil" + ] + }, + { + "compound_id": "C18499", + "inchi": "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3", + "name": "Dimethenamid", + "names": [ + "Dimethenamid" + ] + }, + { + "compound_id": "C18500", + "inchi": "InChI=1S/C16H15Cl2NO3/c1-2-21-10-22-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h3-9H,2,10H2,1H3,(H,19,20)", + "name": "Etobenzanid", + "names": [ + "Etobenzanid" + ] + }, + { + "compound_id": "C18501", + "inchi": "InChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3", + "name": "Fentrazamide", + "names": [ + "Fentrazamide" + ] + }, + { + "compound_id": "C18502", + "inchi": "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)", + "name": "Flutolanil", + "names": [ + "Flutolanil" + ] + }, + { + "compound_id": "C18503", + "inchi": "InChI=1S/C17H20ClN3O2/c1-9-13(15(18)21(5)20-9)16(22)19-12-8-6-7-11-14(12)10(2)23-17(11,3)4/h6-8,10H,1-5H3,(H,19,22)", + "name": "Furametpyr", + "names": [ + "Furametpyr" + ] + }, + { + "compound_id": "C18504", + "inchi": "InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)", + "name": "Isoxaben", + "names": [ + "Isoxaben" + ] + }, + { + "compound_id": "C18505", + "inchi": "InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)", + "name": "Thifluzamide", + "names": [ + "Thifluzamide" + ] + }, + { + "compound_id": "C18506", + "inchi": "InChI=1S/C18H22O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3", + "name": "Furamethrin", + "names": [ + "Furamethrin" + ] + }, + { + "compound_id": "C18507", + "inchi": "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+", + "name": "Acetamiprid", + "names": [ + "Acetamiprid" + ] + }, + { + "compound_id": "C18508", + "inchi": "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)", + "name": "Clothianidin", + "names": [ + "Clothianidin" + ] + }, + { + "compound_id": "C18509", + "inchi": "InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)", + "name": "Dinotefuran", + "names": [ + "Dinotefuran" + ] + }, + { + "compound_id": "C18510", + "inchi": "InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3", + "name": "Prallethrin", + "names": [ + "Prallethrin" + ] + }, + { + "compound_id": "C18511", + "inchi": "InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+", + "name": "Nitenpyram", + "names": [ + "Nitenpyram" + ] + }, + { + "compound_id": "C18512", + "inchi": "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-", + "name": "Thiacloprid", + "names": [ + "Thiacloprid" + ] + }, + { + "compound_id": "C18513", + "inchi": "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+", + "name": "Thiamethoxam", + "names": [ + "Thiamethoxam" + ] + }, + { + "compound_id": "C18514", + "inchi": "InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H", + "name": "Chlorophacinone", + "names": [ + "Chlorophacinone" + ] + }, + { + "compound_id": "C18515", + "inchi": "InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)", + "name": "Chromafenozide", + "names": [ + "Chromafenozide" + ] + }, + { + "compound_id": "C18516", + "inchi": "InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)", + "name": "Cyflufenamid", + "names": [ + "Cyflufenamid" + ] + }, + { + "compound_id": "C18517", + "inchi": "InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3", + "name": "Cyflumetofen", + "names": [ + "Cyflumetofen" + ] + }, + { + "compound_id": "C18518", + "inchi": "InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1", + "name": "Diclocymet", + "names": [ + "Diclocymet" + ] + }, + { + "compound_id": "C18519", + "inchi": "InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)", + "name": "Fenoxanil", + "names": [ + "Fenoxanil" + ] + }, + { + "compound_id": "C18520", + "inchi": "InChI=1S/C23H22F7IN2O4S/c1-12-9-14(21(24,22(25,26)27)23(28,29)30)6-8-17(12)32-18(34)13-5-7-16(31)15(10-13)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)", + "name": "Flubendiamide", + "names": [ + "Flubendiamide" + ] + }, + { + "compound_id": "C18521", + "inchi": "InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H", + "name": "Flusulfamide", + "names": [ + "Flusulfamide" + ] + }, + { + "compound_id": "C18522", + "inchi": "InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)", + "name": "Mandipropamid", + "names": [ + "Mandipropamid" + ] + }, + { + "compound_id": "C18523", + "inchi": "InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21-", + "name": "Metaflumizone", + "names": [ + "Metaflumizone" + ] + }, + { + "compound_id": "C18524", + "inchi": "InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+", + "name": "Empenthrin", + "names": [ + "Empenthrin" + ] + }, + { + "compound_id": "C18525", + "inchi": "InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)", + "name": "Methoxyfenozide", + "names": [ + "Methoxyfenozide" + ] + }, + { + "compound_id": "C18526", + "inchi": "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)", + "name": "Tebufenozide", + "names": [ + "Tebufenozide" + ] + }, + { + "compound_id": "C18527", + "inchi": "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)", + "name": "Fluazifop", + "names": [ + "Fluazifop" + ] + }, + { + "compound_id": "C18528", + "inchi": "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)", + "name": "MCPA", + "names": [ + "(2-Methyl-4-chlorophenoxy)acetic acid", + "MCPA" + ] + }, + { + "compound_id": "C18529", + "inchi": "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)", + "name": "2-Methyl-4-chlorophenoxybutyric acid", + "names": [ + "2-Methyl-4-chlorophenoxybutyric acid", + "MCPB" + ] + }, + { + "compound_id": "C18530", + "inchi": "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3", + "name": "Quizalofop-ethyl", + "names": [ + "Quizalofop-ethyl" + ] + }, + { + "compound_id": "C18531", + "inchi": "InChI=1S/C16H15Cl2NO2/c1-10-14(17)8-13(9-15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)", + "name": "Clomeprop", + "names": [ + "Clomeprop" + ] + }, + { + "compound_id": "C18532", + "inchi": "InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)", + "name": "Ethychlozate", + "names": [ + "Ethychlozate" + ] + }, + { + "compound_id": "C18533", + "inchi": "InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)", + "name": "alpha-Naphthylacetamide", + "names": [ + "1-Naphthaleneacetamide", + "alpha-Naphthylacetamide" + ] + }, + { + "compound_id": "C18534", + "inchi": "InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1", + "name": "1-Naphthaleneacetic acid sodium salt", + "names": [ + "1-Naphthaleneacetic acid sodium salt" + ] + }, + { + "compound_id": "C18535", + "inchi": "InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3", + "name": "Acequinocyl", + "names": [ + "Acequinocyl" + ] + }, + { + "compound_id": "C18536", + "inchi": "InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3", + "name": "Benzobicyclon", + "names": [ + "Benzobicyclon" + ] + }, + { + "compound_id": "C18537", + "inchi": "InChI=1S/C11H21N5S/c1-6-12-9-14-10(13-8(4)7(2)3)16-11(15-9)17-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)", + "name": "Dimethametryn", + "names": [ + "Dimethametryn" + ] + }, + { + "compound_id": "C18538", + "inchi": "InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1", + "name": "Prohydrojasmon", + "names": [ + "Prohydrojasmon" + ] + }, + { + "compound_id": "C18539", + "inchi": "InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+", + "name": "Sethoxydim", + "names": [ + "Sethoxydim" + ] + }, + { + "compound_id": "C18540", + "inchi": "InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+", + "name": "Tepraloxydim", + "names": [ + "Tepraloxydim" + ] + }, + { + "compound_id": "C18541", + "inchi": "InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-", + "name": "Trinexapac-ethyl", + "names": [ + "Trinexapac-ethyl" + ] + }, + { + "compound_id": "C18542", + "inchi": "InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)", + "name": "Prometryn", + "names": [ + "Prometryn" + ] + }, + { + "compound_id": "C18543", + "inchi": "InChI=1S/C19H14ClF5N4O2/c20-14-7-6-13(8-12(14)9-31-10-18(21,22)19(23,24)25)29-17(11-4-2-1-3-5-11)27-16(28-29)15(26)30/h1-8H,9-10H2,(H2,26,30)", + "name": "Flupoxam", + "names": [ + "Flupoxam" + ] + }, + { + "compound_id": "C18544", + "inchi": "InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3", + "name": "Simeconazole", + "names": [ + "Simeconazole" + ] + }, + { + "compound_id": "C18545", + "inchi": "InChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3/b21-19-", + "name": "Cyenopyrafen", + "names": [ + "Cyenopyrafen" + ] + }, + { + "compound_id": "C18546", + "inchi": "InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H", + "name": "Ioxynil", + "names": [ + "Ioxynil" + ] + }, + { + "compound_id": "C18547", + "inchi": "InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)", + "name": "Boscalid", + "names": [ + "Boscalid" + ] + }, + { + "compound_id": "C18548", + "inchi": "InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)", + "name": "Mepronil", + "names": [ + "Mepronil" + ] + }, + { + "compound_id": "C18549", + "inchi": "InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)", + "name": "Diflufenican", + "names": [ + "Diflufenican" + ] + }, + { + "compound_id": "C18550", + "inchi": "InChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)", + "name": "Tiadinil", + "names": [ + "Tiadinil" + ] + }, + { + "compound_id": "C18551", + "inchi": "InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H", + "name": "Fluoroimide", + "names": [ + "Fluoroimide" + ] + }, + { + "compound_id": "C18552", + "inchi": "InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3", + "name": "Ethiprole", + "names": [ + "Ethiprole" + ] + }, + { + "compound_id": "C18553", + "inchi": "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3", + "name": "Spirodiclofen", + "names": [ + "Spirodiclofen" + ] + }, + { + "compound_id": "C18554", + "inchi": "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3", + "name": "Pyraflufen-ethyl", + "names": [ + "Pyraflufen-ethyl" + ] + }, + { + "compound_id": "C18555", + "inchi": "InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3", + "name": "Benzofenap", + "names": [ + "Benzofenap" + ] + }, + { + "compound_id": "C18556", + "inchi": "InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3", + "name": "Pyrazoxyfen", + "names": [ + "Pyrazoxyfen" + ] + }, + { + "compound_id": "C18557", + "inchi": "InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1", + "name": "Milbemectin", + "names": [ + "Milbemectin" + ] + }, + { + "compound_id": "C18558", + "inchi": "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+", + "name": "Azoxystrobin", + "names": [ + "Azoxystrobin" + ] + }, + { + "compound_id": "C18559", + "inchi": "InChI=1S/C16H16N2O3/c1-17-16(19)15(18-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,17,19)/b18-15+", + "name": "Metominostrobin", + "names": [ + "Metominostrobin" + ] + }, + { + "compound_id": "C18560", + "inchi": "InChI=1S/C18H25N5O5/c1-12(20-25-4)16(22-26-5)13(2)21-28-11-14-9-7-8-10-15(14)17(23-27-6)18(24)19-3/h7-10H,11H2,1-6H3,(H,19,24)/b20-12+,21-13+,22-16+,23-17+", + "name": "Orysastrobin", + "names": [ + "Orysastrobin" + ] + }, + { + "compound_id": "C18561", + "inchi": "InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-9-4-3-6-14(17)13-27-18-10-11-22(21-18)16-8-5-7-15(20)12-16/h3-12H,13H2,1-2H3", + "name": "Pyraclostrobin", + "names": [ + "Pyraclostrobin" + ] + }, + { + "compound_id": "C18562", + "inchi": "InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+", + "name": "Trifloxystrobin", + "names": [ + "Trifloxystrobin" + ] + }, + { + "compound_id": "C18563", + "inchi": "InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3", + "name": "Bensultap", + "names": [ + "Bensultap" + ] + }, + { + "compound_id": "C18564", + "inchi": "InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3", + "name": "Glyphosate-isopropylammonium", + "names": [ + "Glyphosate-isopropylammonium" + ] + }, + { + "compound_id": "C18565", + "inchi": "InChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3", + "name": "Glyphosate-monoammonium", + "names": [ + "Glyphosate-monoammonium" + ] + }, + { + "compound_id": "C18566", + "inchi": "InChI=1S/Ca.O2/c;1-2/q+2;-2", + "name": "Calcium peroxide", + "names": [ + "Calcium peroxide" + ] + }, + { + "compound_id": "C18567", + "inchi": "InChI=1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2", + "name": "Thallium sulfate", + "names": [ + "Thallium sulfate" + ] + }, + { + "compound_id": "C18568", + "inchi": "InChI=1S/C18H41N7.3C2H4O2/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22;3*1-2(3)4/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25);3*1H3,(H,3,4)", + "name": "Iminoctadine acetate", + "names": [ + "Iminoctadine acetate" + ] + }, + { + "compound_id": "C18569", + "inchi": "InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1", + "name": "Indoxacarb", + "names": [ + "Indoxacarb" + ] + }, + { + "compound_id": "C18570", + "inchi": "InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2", + "name": "Chloridazon", + "names": [ + "Chloridazon" + ] + }, + { + "compound_id": "C18571", + "inchi": "InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3", + "name": "Oxaziclomefone", + "names": [ + "Oxaziclomefone" + ] + }, + { + "compound_id": "C18572", + "inchi": "InChI=1S/2C19H24ClN3O2.C4H4O4/c2*1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15;5-3(6)1-2-4(7)8/h2*6-9,11-12,14H,4-5,10,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+", + "name": "Oxpoconazole fumarate", + "names": [ + "Oxpoconazole fumarate" + ] + }, + { + "compound_id": "C18573", + "inchi": "InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3", + "name": "Cyazofamid", + "names": [ + "Cyazofamid" + ] + }, + { + "compound_id": "C18574", + "inchi": "InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H", + "name": "Dithianon", + "names": [ + "Dithianon" + ] + }, + { + "compound_id": "C18575", + "inchi": "InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H", + "name": "Quinoxaline", + "names": [ + "Quinoxaline" + ] + }, + { + "compound_id": "C18576", + "inchi": "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H", + "name": "Clofentezine", + "names": [ + "Clofentezine" + ] + }, + { + "compound_id": "C18577", + "inchi": "InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2", + "name": "Diquat", + "names": [ + "Diquat" + ] + }, + { + "compound_id": "C18578", + "inchi": "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)", + "name": "Fluazinam", + "names": [ + "Fluazinam" + ] + }, + { + "compound_id": "C18579", + "inchi": "InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13-", + "name": "Ferimzone", + "names": [ + "(Z)-Ferimzone", + "Ferimzone" + ] + }, + { + "compound_id": "C18580", + "inchi": "InChI=1S/C18H10Cl2F5N5S/c19-11-5-9(18(23,24)25)6-12(20)14(11)30-16(28-8-10-3-1-2-4-27-10)15(31-17(21)22)13(7-26)29-30/h1-6,17,28H,8H2", + "name": "Pyriprole", + "names": [ + "Pyriprole" + ] + }, + { + "compound_id": "C18581", + "inchi": "InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3", + "name": "Amisulbrom", + "names": [ + "Amisulbrom" + ] + }, + { + "compound_id": "C18582", + "inchi": "InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3", + "name": "Butralin", + "names": [ + "Butralin" + ] + }, + { + "compound_id": "C18583", + "inchi": "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+", + "name": "Dimethomorph", + "names": [ + "Dimethomorph" + ] + }, + { + "compound_id": "C18584", + "inchi": "InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2", + "name": "Quinoclamin", + "names": [ + "Quinoclamin" + ] + }, + { + "compound_id": "C18585", + "inchi": "InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1", + "name": "Chlormequat", + "names": [ + "Chlormequat" + ] + }, + { + "compound_id": "C18586", + "inchi": "InChI=1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2", + "name": "Calcium formate", + "names": [ + "Calcium formate", + "Formic acid, calcium salt" + ] + }, + { + "compound_id": "C18587", + "inchi": "InChI=1S/C2H3NS/c1-3-2-4/h1H3", + "name": "Methyl isothiocyanate", + "names": [ + "Methyl isothiocyanate" + ] + }, + { + "compound_id": "C18588", + "inchi": "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1", + "name": "Sodium fluoroacetate", + "names": [ + "Sodium fluoroacetate", + "Sodium monofluoroacetate" + ] + }, + { + "compound_id": "C18589", + "inchi": "InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)", + "name": "Bifenazate", + "names": [ + "Bifenazate" + ] + }, + { + "compound_id": "C18590", + "inchi": "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+", + "name": "Pymetrozine", + "names": [ + "Pymetrozine" + ] + }, + { + "compound_id": "C18591", + "inchi": "InChI=1S/C22H18N2O4/c1-22(16-9-8-14-19(15-16)27-18-12-6-3-7-13-18)20(25)24(21(26)28-22)23-17-10-4-2-5-11-17/h2-15,23H,1H3", + "name": "Famoxadone", + "names": [ + "Famoxadone" + ] + }, + { + "compound_id": "C18592", + "inchi": "InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3", + "name": "Pentoxazone", + "names": [ + "Pentoxazone" + ] + }, + { + "compound_id": "C18593", + "inchi": "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)", + "name": "Fenhexamid", + "names": [ + "Fenhexamid" + ] + }, + { + "compound_id": "C18594", + "inchi": "InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1", + "name": "Bentazone-sodium", + "names": [ + "Bentazone-sodium" + ] + }, + { + "compound_id": "C18595", + "inchi": "InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+", + "name": "Fluacrypyrim", + "names": [ + "Fluacrypyrim" + ] + }, + { + "compound_id": "C18596", + "inchi": "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2", + "name": "Bromadiolone", + "names": [ + "Bromadiolone" + ] + }, + { + "compound_id": "C18597", + "inchi": "InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)", + "name": "Dicamba", + "names": [ + "Dicamba" + ] + }, + { + "compound_id": "C18598", + "inchi": "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)", + "name": "Imazamox", + "names": [ + "Imazamox" + ] + }, + { + "compound_id": "C18599", + "inchi": "InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3", + "name": "Coumafuryl", + "names": [ + "Coumafuryl", + "Fumarin" + ] + }, + { + "compound_id": "C18600", + "inchi": "InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)", + "name": "Dalapon", + "names": [ + "2,2-DPA", + "2,2-Dichloropropanoic acid", + "Dalapon" + ] + }, + { + "compound_id": "C18601", + "inchi": "InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;", + "name": "Sodium oleate", + "names": [ + "Sodium oleate" + ] + }, + { + "compound_id": "C18602", + "inchi": "InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3", + "name": "Propargite", + "names": [ + "BPPS", + "Propargite" + ] + }, + { + "compound_id": "C18603", + "inchi": "InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)", + "name": "Pyrimidifen", + "names": [ + "Pyrimidifen" + ] + }, + { + "compound_id": "C18604", + "inchi": "InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)", + "name": "Forchlorfenuron", + "names": [ + "Forchlorfenuron" + ] + }, + { + "compound_id": "C18605", + "inchi": "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3", + "name": "Pyriproxyfen", + "names": [ + "Pyriproxyfen" + ] + }, + { + "compound_id": "C18606", + "inchi": "InChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1", + "name": "Potassium bicarbonate", + "names": [ + "Potassium bicarbonate" + ] + }, + { + "compound_id": "C18607", + "inchi": "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1", + "name": "Cyhalofop-butyl", + "names": [ + "Cyhalofop-butyl" + ] + }, + { + "compound_id": "C18608", + "inchi": "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1", + "name": "Mecoprop-P", + "names": [ + "(R)-2-(4-chloro-o-tolyloxy)propionic acid", + "Mecoprop-P" + ] + }, + { + "compound_id": "C18609", + "inchi": "InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+", + "name": "Clethodim", + "names": [ + "Clethodim" + ] + }, + { + "compound_id": "C18610", + "inchi": "InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1", + "name": "Monoammonium glycyrrhizinate", + "names": [ + "Monoammonium glycyrrhizinate" + ] + }, + { + "compound_id": "C18611", + "inchi": "InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2", + "name": "Phthalide", + "names": [ + "Phthalide" + ] + }, + { + "compound_id": "C18612", + "inchi": "InChI=1S/C33H60O10.I2/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34;1-2/h10-13,34H,2-9,14-31H2,1H3;", + "name": "Nonoxynol-9 iodine", + "names": [ + "Nonoxynol-9 iodine" + ] + }, + { + "compound_id": "C18613", + "inchi": "InChI=1S/C15H15ClN6/c1-3-7-20(2)15-11(9-17)10-18-22(15)14-13(16)12-6-4-5-8-21(12)19-14/h1,10H,4-8H2,2H3", + "name": "Pyraclonil", + "names": [ + "Pyraclonil" + ] + }, + { + "compound_id": "C18614", + "inchi": "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3", + "name": "Pyridaben", + "names": [ + "Pyridaben" + ] + }, + { + "compound_id": "C18615", + "inchi": "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)", + "name": "Triflumuron", + "names": [ + "Triflumuron", + "Trifluron" + ] + }, + { + "compound_id": "C18616", + "inchi": null, + "name": "Methoxymalonyl-[acp]", + "names": [ + "(2R)-Methoxymalonyl-[acp]", + "Methoxymalonyl-ACP", + "Methoxymalonyl-[acp]" + ] + }, + { + "compound_id": "C18617", + "inchi": null, + "name": "Hydroxymalonyl-[acp]", + "names": [ + "(2R)-Hydroxymalonyl-[acp]", + "Hydroxymalonyl-ACP", + "Hydroxymalonyl-[acp]" + ] + }, + { + "compound_id": "C18618", + "inchi": null, + "name": "Aminomalonyl-[acp]", + "names": [ + "(2S)-Aminomalonyl-[acp]", + "Aminomalonyl-ACP", + "Aminomalonyl-[acp]" + ] + }, + { + "compound_id": "C18619", + "inchi": "InChI=1S/C11H16N2O2/c1-13(2)9-5-3-8(4-6-9)7-10(12)11(14)15/h3-6,10H,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1", + "name": "4-Dimethylamino-L-phenylalanine", + "names": [ + "4-Dimethylamino-L-phenylalanine" + ] + }, + { + "compound_id": "C18620", + "inchi": "InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)", + "name": "3-Hydroxypicolinic acid", + "names": [ + "3-Hydroxypicolinic acid" + ] + }, + { + "compound_id": "C18621", + "inchi": "InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)", + "name": "3-Hydroxyquinaldic acid", + "names": [ + "3-Hydroxyquinaldic acid" + ] + }, + { + "compound_id": "C18622", + "inchi": "InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1", + "name": "L-Homotyrosine", + "names": [ + "L-Homotyrosine" + ] + }, + { + "compound_id": "C18623", + "inchi": "InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1", + "name": "L-Phenylglycine", + "names": [ + "L-Phenylglycine", + "Phenylglycine" + ] + }, + { + "compound_id": "C18624", + "inchi": "InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)", + "name": "Quinoxaline-2-carboxylic acid", + "names": [ + "Quinoxaline-2-carboxylic acid" + ] + }, + { + "compound_id": "C18625", + "inchi": "InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)", + "name": "4-Nitrobenzoic acid", + "names": [ + "4-Nitrobenzoic acid", + "p-Nitrobenzoic acid" + ] + }, + { + "compound_id": "C18626", + "inchi": "InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1", + "name": "Metalaxyl-M", + "names": [ + "Metalaxyl-M" + ] + }, + { + "compound_id": "C18627", + "inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+", + "name": "1,3-Dichloropropene", + "names": [ + "1,3-Dichloropropene", + "D-D 92" + ] + }, + { + "compound_id": "C18628", + "inchi": "InChI=1S/C12H22N4S4/c1-7-13-9(3)19-11(17)15(7)5-6-16-8(2)14-10(4)20-12(16)18/h7-10,13-14H,5-6H2,1-4H3", + "name": "Thiadiazin", + "names": [ + "Milneb", + "Thiadiazin" + ] + }, + { + "compound_id": "C18629", + "inchi": "InChI=1S/C20H16O7/c1-9(21)5-14(23)17-12(8-15(24)25)7-11-6-10-3-2-4-13(22)16(10)19(26)18(11)20(17)27/h2-4,7,22,27H,5-6,8H2,1H3,(H,24,25)", + "name": "12-Deoxynogalonic acid", + "names": [ + "12-Deoxynogalonic acid" + ] + }, + { + "compound_id": "C18630", + "inchi": "InChI=1S/C21H16O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,16,22,26,28H,7H2,1-2H3/t16-,21-/m0/s1", + "name": "Nogalaviketone", + "names": [ + "Nogalaviketone" + ] + }, + { + "compound_id": "C18631", + "inchi": "InChI=1S/C21H18O8/c1-21(28)7-12(23)14-9(16(21)20(27)29-2)6-10-15(19(14)26)18(25)13-8(17(10)24)4-3-5-11(13)22/h3-6,12,16,22-23,26,28H,7H2,1-2H3/t12-,16-,21-/m0/s1", + "name": "Nogalavinone", + "names": [ + "Nogalamycinone", + "Nogalavinone" + ] + }, + { + "compound_id": "C18632", + "inchi": "InChI=1S/C21H18O9/c1-21(29)6-11(24)12-7(16(21)20(28)30-2)5-8-13(18(12)26)19(27)15-10(23)4-3-9(22)14(15)17(8)25/h3-5,11,16,22-24,26,29H,6H2,1-2H3/t11-,16-,21-/m0/s1", + "name": "1-OH-Nogalamycinone", + "names": [ + "1-OH-Nogalamycinone" + ] + }, + { + "compound_id": "C18633", + "inchi": "InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1", + "name": "Nogalamycin", + "names": [ + "Nogalamycin" + ] + }, + { + "compound_id": "C18634", + "inchi": "InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19?,20?,24-,25+,30+/m0/s1", + "name": "Aclacinomycin T", + "names": [ + "Aclacinomycin T", + "Rhodosaminyl-aklavinone" + ] + }, + { + "compound_id": "C18635", + "inchi": "InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23?,24?,25?,29-,30+,34?,36+/m0/s1", + "name": "Aclacinomycin S", + "names": [ + "Aclacinomycin S", + "L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone" + ] + }, + { + "compound_id": "C18636", + "inchi": "InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+,14+/m0/s1", + "name": "dTDP-L-2-deoxyfucose", + "names": [ + "dTDP-L-2-deoxyfucose" + ] + }, + { + "compound_id": "C18637", + "inchi": "InChI=1S/C42H55NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24-25,27-31,35,39-40,44-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,25-,27-,28?,29?,30?,31?,35-,39?,40?,42+/m0/s1", + "name": "Aclacinomycin N", + "names": [ + "Aclacinomycin N" + ] + }, + { + "compound_id": "C18638", + "inchi": "InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28?,29?,30?,31?,35-,39?,40?,42+/m0/s1", + "name": "Aclacinomycin A", + "names": [ + "Aclacinomycin A" + ] + }, + { + "compound_id": "C18639", + "inchi": "InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28?,29?,30?,31?,35-,39?,40?,42+/m0/s1", + "name": "Aclacinomycin Y", + "names": [ + "Aclacinomycin Y" + ] + }, + { + "compound_id": "C18640", + "inchi": "InChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16?,17?,23-,24+,30+/m0/s1", + "name": "epsilon-Rhodomycin T", + "names": [ + "epsilon-Rhodomycin T" + ] + }, + { + "compound_id": "C18641", + "inchi": "InChI=1S/C29H33NO11/c1-5-29(39)10-15(41-16-9-13(30(3)4)23(32)11(2)40-16)18-19(22(29)28(37)38)27(36)20-21(26(18)35)25(34)17-12(24(20)33)7-6-8-14(17)31/h6-8,11,13,15-16,22-23,31-32,35-36,39H,5,9-10H2,1-4H3,(H,37,38)/t11-,13-,15?,16?,22-,23+,29+/m0/s1", + "name": "15-Demethoxy-epsilon-rhodomycin", + "names": [ + "15-Demethoxy-epsilon-rhodomycin" + ] + }, + { + "compound_id": "C18642", + "inchi": "InChI=1S/C28H33NO10/c1-5-28(37)10-15(39-16-9-13(29(3)4)22(31)11(2)38-16)18-21(27(28)36)26(35)19-20(25(18)34)24(33)17-12(23(19)32)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-31,34-37H,5,9-10H2,1-4H3/t11-,13-,15?,16?,22+,27+,28+/m0/s1", + "name": "beta-Rhodomycin", + "names": [ + "Rhodomycin B", + "beta-Rhodomycin" + ] + }, + { + "compound_id": "C18643", + "inchi": "InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11-,12-,13+,14+,15+,16+/m0/s1", + "name": "dTDP-L-rhodosamine", + "names": [ + "dTDP-L-rhodosamine" + ] + }, + { + "compound_id": "C18644", + "inchi": "InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3", + "name": "Azinphos-ethyl", + "names": [ + "Azinphos-ethyl" + ] + }, + { + "compound_id": "C18645", + "inchi": "InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+", + "name": "Butocarboxim", + "names": [ + "Butocarboxim" + ] + }, + { + "compound_id": "C18646", + "inchi": "InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+", + "name": "Butoxycarboxim", + "names": [ + "Butoxycarboxim" + ] + }, + { + "compound_id": "C18647", + "inchi": "InChI=1S/2AsH3O4.3Ca/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6", + "name": "Calcium arsenate", + "names": [ + "Calcium arsenate" + ] + }, + { + "compound_id": "C18648", + "inchi": "InChI=1S/AsH3O4.Pb/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+2/p-2", + "name": "Lead arsenate", + "names": [ + "Lead arsenate", + "Lead hydrogen arsenate" + ] + }, + { + "compound_id": "C18649", + "inchi": "InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)", + "name": "Ethiofencarb", + "names": [ + "Ethiofencarb" + ] + }, + { + "compound_id": "C18650", + "inchi": "InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3", + "name": "Furathiocarb", + "names": [ + "Furathiocarb" + ] + }, + { + "compound_id": "C18651", + "inchi": "InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)", + "name": "Methiocarb", + "names": [ + "Methiocarb" + ] + }, + { + "compound_id": "C18652", + "inchi": "InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+", + "name": "Thiofanox", + "names": [ + "Thiofanox" + ] + }, + { + "compound_id": "C18653", + "inchi": "InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3", + "name": "DNOC", + "names": [ + "2,4-Dinitro-6-methylphenol", + "4,6-Dinitro-o-cresol", + "DNOC" + ] + }, + { + "compound_id": "C18654", + "inchi": "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+", + "name": "Chlorfenvinphos", + "names": [ + "Chlorfenvinphos" + ] + }, + { + "compound_id": "C18655", + "inchi": "InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3", + "name": "Demeton-S-methyl", + "names": [ + "Demeton-S-methyl" + ] + }, + { + "compound_id": "C18656", + "inchi": "InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+", + "name": "Dicrotophos", + "names": [ + "Dicrotophos" + ] + }, + { + "compound_id": "C18657", + "inchi": "InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3", + "name": "Triazophos", + "names": [ + "Triazophos" + ] + }, + { + "compound_id": "C18658", + "inchi": "InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3", + "name": "Famphur", + "names": [ + "Famophos", + "Famphur" + ] + }, + { + "compound_id": "C18659", + "inchi": "InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)", + "name": "Fenamiphos", + "names": [ + "Fenamiphos" + ] + }, + { + "compound_id": "C18660", + "inchi": "InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3", + "name": "Heptenophos", + "names": [ + "Heptenophos" + ] + }, + { + "compound_id": "C18661", + "inchi": "InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3", + "name": "Mecarbam", + "names": [ + "Mecarbam" + ] + }, + { + "compound_id": "C18662", + "inchi": "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)", + "name": "Omethoate", + "names": [ + "Omethoate" + ] + }, + { + "compound_id": "C18663", + "inchi": "InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+", + "name": "Monocrotophos", + "names": [ + "Monocrotophos" + ] + }, + { + "compound_id": "C18664", + "inchi": "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3", + "name": "Oxydemeton-methyl", + "names": [ + "Oxydemeton-methyl" + ] + }, + { + "compound_id": "C18665", + "inchi": "InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3", + "name": "Thiometon", + "names": [ + "Thiometon" + ] + }, + { + "compound_id": "C18666", + "inchi": "InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)", + "name": "Vamidothion", + "names": [ + "Vamidothion" + ] + }, + { + "compound_id": "C18667", + "inchi": "InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)", + "name": "Methamidophos", + "names": [ + "Methamidophos" + ] + }, + { + "compound_id": "C18668", + "inchi": "InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)/b13-8+", + "name": "Formetanate", + "names": [ + "Dicarzol", + "Formetanate" + ] + }, + { + "compound_id": "C18669", + "inchi": "InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+", + "name": "Propetamphos", + "names": [ + "Propetamphos" + ] + }, + { + "compound_id": "C18670", + "inchi": "InChI=1S/Hg.O/q+2;-2", + "name": "Mercuric oxide", + "names": [ + "Mercuric oxide" + ] + }, + { + "compound_id": "C18671", + "inchi": "InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3", + "name": "Dinoterb", + "names": [ + "Dinoterb" + ] + }, + { + "compound_id": "C18672", + "inchi": "InChI=1S/CH3.Hg/h1H3;/q;+1", + "name": "Methylmercury", + "names": [ + "CH3Hg+", + "Methylmercury", + "Methylmercury ion" + ] + }, + { + "compound_id": "C18673", + "inchi": "InChI=1S/CN.Na/c1-2;/q-1;+1", + "name": "Sodium cyanide", + "names": [ + "Sodium cyanide" + ] + }, + { + "compound_id": "C18674", + "inchi": null, + "name": "Zinc phosphide", + "names": [ + "Zinc phosphide" + ] + }, + { + "compound_id": "C18675", + "inchi": "InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)", + "name": "Fluoroacetamide", + "names": [ + "Fluoroacetamide" + ] + }, + { + "compound_id": "C18676", + "inchi": "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2", + "name": "alpha-Chlorohydrin", + "names": [ + "3-Monochloro-1,2-propanediol", + "alpha-Chlorohydrin" + ] + }, + { + "compound_id": "C18677", + "inchi": "InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3", + "name": "Chlorethoxyfos", + "names": [ + "Chlorethoxyfos" + ] + }, + { + "compound_id": "C18678", + "inchi": "InChI=1S/C19H18O6/c1-18(24)6-13(22)16-10-5-9-3-2-4-11(20)14(9)17(23)15(10)12(21)7-19(16,25)8-18/h2-5,16,20,23-25H,6-8H2,1H3/t16?,18-,19-/m0/s1", + "name": "UWM6", + "names": [ + "UWM6" + ] + }, + { + "compound_id": "C18679", + "inchi": "InChI=1S/C19H16O5/c1-9-5-13(21)17-11-6-10-3-2-4-12(20)15(10)18(23)16(11)14(22)8-19(17,24)7-9/h2-6,17,20,23-24H,7-8H2,1H3/t17?,19-/m1/s1", + "name": "2,3-Dehydro-UWM6", + "names": [ + "2,3-Dehydro-UWM6", + "Prejadomycin" + ] + }, + { + "compound_id": "C18680", + "inchi": "InChI=1S/C24H21NO6/c1-4-11(3)19-24(30)31-23-13-8-10(2)9-15(27)16(13)18-20(25(19)23)22(29)17-12(21(18)28)6-5-7-14(17)26/h5-9,11,19,23,26-27H,4H2,1-3H3/t11-,19-,23-/m0/s1", + "name": "Jadomycin A", + "names": [ + "Jadomycin A", + "Jadomycin B aglycon" + ] + }, + { + "compound_id": "C18681", + "inchi": "InChI=1S/C25H28O9/c1-10-21(29)14(26)6-17(34-10)12-4-3-11-5-13-19(23(31)18(11)22(12)30)15(27)8-25(33)9-24(2,32)7-16(28)20(13)25/h3-5,10,14,17,20-21,26,29-33H,6-9H2,1-2H3/t10-,14-,17-,20?,21-,24+,25+/m1/s1", + "name": "C1'-C9-Glycosylated UWM6", + "names": [ + "C1'-C9-Glycosylated UWM6" + ] + }, + { + "compound_id": "C18682", + "inchi": "InChI=1S/C19H14O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,13,20-22H,7H2,1H3/t13-/m1/s1", + "name": "11-Deoxylandomycinone", + "names": [ + "11-Deoxylandomycinone" + ] + }, + { + "compound_id": "C18683", + "inchi": "InChI=1S/C25H24O8/c1-10-6-12-8-15(27)21-22(19(12)14(26)7-10)24(30)13-4-3-5-17(20(13)25(21)31)33-18-9-16(28)23(29)11(2)32-18/h3-7,11,15-16,18,23,26-29H,8-9H2,1-2H3/t11-,15-,16-,18+,23-/m1/s1", + "name": "Landomycin H", + "names": [ + "Landomycin H" + ] + }, + { + "compound_id": "C18684", + "inchi": "InChI=1S/C31H34O12/c1-11-6-14-8-17(34)25-27(23(14)16(33)7-11)30(39)24-15(32)4-5-20(26(24)29(25)38)42-21-10-19(36)31(13(3)41-21)43-22-9-18(35)28(37)12(2)40-22/h4-7,12-13,17-19,21-22,28,31-37H,8-10H2,1-3H3/t12-,13-,17-,18-,19-,21+,22?,28-,31?/m1/s1", + "name": "Landomycin D", + "names": [ + "Landomycin D" + ] + }, + { + "compound_id": "C18685", + "inchi": "InChI=1S/C37H44O14/c1-14-9-18-11-22(41)31-33(29(18)21(40)10-14)36(45)30-20(39)5-7-24(32(30)35(31)44)49-27-12-23(42)37(17(4)48-27)51-28-13-25(34(43)16(3)47-28)50-26-8-6-19(38)15(2)46-26/h5,7,9-10,15-17,19,22-23,25-28,34,37-43H,6,8,11-13H2,1-4H3/t15-,16+,17+,19-,22+,23+,25+,26-,27-,28?,34+,37?/m0/s1", + "name": "Landomycin E", + "names": [ + "Landomycin E" + ] + }, + { + "compound_id": "C18686", + "inchi": "InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3", + "name": "Chlormephos", + "names": [ + "Chlormephos" + ] + }, + { + "compound_id": "C18687", + "inchi": "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3", + "name": "Ethoprophos", + "names": [ + "Ethoprophos" + ] + }, + { + "compound_id": "C18688", + "inchi": "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+", + "name": "Mevinphos", + "names": [ + "Mevinphos" + ] + }, + { + "compound_id": "C18689", + "inchi": "InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-", + "name": "Phosphamidon", + "names": [ + "Phosphamidon" + ] + }, + { + "compound_id": "C18690", + "inchi": "InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3", + "name": "Phorate", + "names": [ + "Phorate" + ] + }, + { + "compound_id": "C18691", + "inchi": "InChI=1S/C8H20O5P2S2/c1-5-10-14(16,8-9-4)13-15(17,11-6-2)12-7-3/h5-8H2,1-4H3", + "name": "Sulfotep", + "names": [ + "Sulfotep" + ] + }, + { + "compound_id": "C18692", + "inchi": "InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3", + "name": "Tebupirimfos", + "names": [ + "Tebupirimfos" + ] + }, + { + "compound_id": "C18693", + "inchi": "InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3", + "name": "Terbufos", + "names": [ + "Terbufos" + ] + }, + { + "compound_id": "C18694", + "inchi": "InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2", + "name": "Brodifacoum", + "names": [ + "Brodifacoum" + ] + }, + { + "compound_id": "C18695", + "inchi": "InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2", + "name": "Difethialone", + "names": [ + "Difethialone" + ] + }, + { + "compound_id": "C18696", + "inchi": "InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2", + "name": "Flocoumafen", + "names": [ + "Flocoumafen" + ] + }, + { + "compound_id": "C18697", + "inchi": "InChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3", + "name": "Bromethalin", + "names": [ + "Bromethalin" + ] + }, + { + "compound_id": "C18698", + "inchi": "InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H", + "name": "Diphenadione", + "names": [ + "Diphenadione" + ] + }, + { + "compound_id": "C18699", + "inchi": "InChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17-/m0/s1", + "name": "(-)-Jasmonoyl-L-isoleucine", + "names": [ + "(-)-JA-L-Ile", + "(-)-Jasmonoyl-L-isoleucine" + ] + }, + { + "compound_id": "C18700", + "inchi": "InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)", + "name": "Ametryn", + "names": [ + "Ametryn" + ] + }, + { + "compound_id": "C18701", + "inchi": "InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2", + "name": "Azaconazole", + "names": [ + "Azaconazole" + ] + }, + { + "compound_id": "C18702", + "inchi": "InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3", + "name": "Azamethiphos", + "names": [ + "Azamethiphos" + ] + }, + { + "compound_id": "C18703", + "inchi": "InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3", + "name": "Bensulide", + "names": [ + "Bensulide" + ] + }, + { + "compound_id": "C18704", + "inchi": "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2", + "name": "Bromuconazole", + "names": [ + "Bromuconazole" + ] + }, + { + "compound_id": "C18705", + "inchi": "InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3/b25-18+", + "name": "Butroxydim", + "names": [ + "Butroxydim" + ] + }, + { + "compound_id": "C18706", + "inchi": "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3", + "name": "Butylamine", + "names": [ + "Butylamine" + ] + }, + { + "compound_id": "C18707", + "inchi": "InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3?,4-,5-,6?,7-/m1/s1", + "name": "Chloralose", + "names": [ + "Chloralose" + ] + }, + { + "compound_id": "C18708", + "inchi": "InChI=1S/C19H32Cl2P.ClH/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21;/h10-11,15H,4-9,12-14,16H2,1-3H3;1H/q+1;/p-1", + "name": "Chlorphonium chloride", + "names": [ + "Chlorphonium chloride", + "Phosfon D" + ] + }, + { + "compound_id": "C18709", + "inchi": "InChI=1S/C20H16O8/c1-8(21)2-13(23)17-11(6-15(25)26)4-9-3-10-5-12(22)7-14(24)16(10)19(27)18(9)20(17)28/h3-5,7,22,24,27-28H,2,6H2,1H3,(H,25,26)", + "name": "Decaketide tricyclic intermediate", + "names": [ + "Decaketide tricyclic intermediate" + ] + }, + { + "compound_id": "C18710", + "inchi": "InChI=1S/C47H62O21/c1-16-26(65-29-12-25(49)37(51)18(3)61-29)11-23-9-22-10-24-42(60-8)41(55)33(17(2)48)44(57)47(24,45(58)35(22)40(54)34(23)36(16)50)68-31-14-28(39(53)20(5)63-31)66-30-13-27(38(52)19(4)62-30)67-32-15-46(7,59)43(56)21(6)64-32/h9,11,18-21,24-25,27-32,37-39,42-43,49-56,59H,10,12-15H2,1-8H3/t18-,19-,20-,21-,24+,25-,27-,28-,29+,30+,31?,32+,37-,38+,39-,42+,43-,46+,47?/m1/s1", + "name": "3A-Deolivosylpremithramycin B", + "names": [ + "3A-Deolivosylpremithramycin B" + ] + }, + { + "compound_id": "C18711", + "inchi": "InChI=1S/C52H74O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,20-24,27-28,30-37,41-45,49-51,54-61,64-65H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36?,37+,41+,42-,43-,44-,45+,49+,50?,51-,52+/m1/s1", + "name": "Mithramycin DK", + "names": [ + "Mithramycin DK" + ] + }, + { + "compound_id": "C18712", + "inchi": "InChI=1S/Cu.2H2O/h;2*1H2/q+2;;/p-2", + "name": "Copper hydroxide", + "names": [ + "Copper hydroxide" + ] + }, + { + "compound_id": "C18713", + "inchi": "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2", + "name": "Copper sulfate", + "names": [ + "Copper sulfate", + "Copper(II) sulfate" + ] + }, + { + "compound_id": "C18714", + "inchi": "InChI=1S/2Cu.O/q2*+1;-2", + "name": "Cuprous oxide", + "names": [ + "Copper (I) oxide", + "Cuprous oxide" + ] + }, + { + "compound_id": "C18715", + "inchi": "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m1/s1", + "name": "alpha-Cypermethrin", + "names": [ + "Alphamethrin", + "alpha-Cypermethrin" + ] + }, + { + "compound_id": "C18716", + "inchi": "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)", + "name": "Diclofop", + "names": [ + "Diclofop" + ] + }, + { + "compound_id": "C18717", + "inchi": "InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1", + "name": "Difenzoquat", + "names": [ + "Difenzoquat" + ] + }, + { + "compound_id": "C18718", + "inchi": "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3", + "name": "Dimethachlor", + "names": [ + "Dimethachlor" + ] + }, + { + "compound_id": "C18719", + "inchi": "InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3", + "name": "Dimethipin", + "names": [ + "2,3-dihydro-5,6-dimethyl-1,4-dithiine 1,1,4,4-tetraoxide", + "Dimethipin" + ] + }, + { + "compound_id": "C18720", + "inchi": "InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+", + "name": "Diniconazole", + "names": [ + "Diniconazole" + ] + }, + { + "compound_id": "C18721", + "inchi": "InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3", + "name": "Dinobuton", + "names": [ + "Dinobuton" + ] + }, + { + "compound_id": "C18722", + "inchi": "InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3", + "name": "Diphenamid", + "names": [ + "Diphenamid" + ] + }, + { + "compound_id": "C18723", + "inchi": "InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)", + "name": "Dodine", + "names": [ + "Dodecylguanidine acetate", + "Dodine" + ] + }, + { + "compound_id": "C18724", + "inchi": "InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2", + "name": "Endothal-disodium", + "names": [ + "Endothal-disodium" + ] + }, + { + "compound_id": "C18725", + "inchi": "InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3", + "name": "Ethion", + "names": [ + "Ethion" + ] + }, + { + "compound_id": "C18726", + "inchi": "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3", + "name": "Fenpropidin", + "names": [ + "Fenpropidin" + ] + }, + { + "compound_id": "C18727", + "inchi": "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3", + "name": "Fenazaquin", + "names": [ + "Fenazaquin" + ] + }, + { + "compound_id": "C18728", + "inchi": "InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1", + "name": "Fentin acetate", + "names": [ + "Fentin acetate" + ] + }, + { + "compound_id": "C18729", + "inchi": "InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1", + "name": "Fentin hydroxide", + "names": [ + "Fentin", + "Fentin hydroxide" + ] + }, + { + "compound_id": "C18730", + "inchi": "InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3", + "name": "Fluchloralin", + "names": [ + "Fluchloralin" + ] + }, + { + "compound_id": "C18731", + "inchi": "InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3", + "name": "Flufenacet", + "names": [ + "Flufenacet" + ] + }, + { + "compound_id": "C18732", + "inchi": "InChI=1S/C16H9ClF3NO7/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23/h1-6H,7H2,(H,22,23)", + "name": "Fluoroglycofen", + "names": [ + "Fluoroglycofen" + ] + }, + { + "compound_id": "C18733", + "inchi": "InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3", + "name": "Flusilazole", + "names": [ + "Flusilazole" + ] + }, + { + "compound_id": "C18734", + "inchi": "InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2", + "name": "Flutriafol", + "names": [ + "Flutriafol" + ] + }, + { + "compound_id": "C18735", + "inchi": "InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2", + "name": "Fluxofenim", + "names": [ + "Fluxofenim" + ] + }, + { + "compound_id": "C18736", + "inchi": "InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)", + "name": "Fomesafen", + "names": [ + "Fomesafen" + ] + }, + { + "compound_id": "C18737", + "inchi": "InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)", + "name": "Fuberidazole", + "names": [ + "Fuberidazole" + ] + }, + { + "compound_id": "C18738", + "inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H", + "name": "BHC", + "names": [ + "1,2,3,4,5,6-Hexachlorocyclohexane", + "BHC" + ] + }, + { + "compound_id": "C18739", + "inchi": "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2", + "name": "Enilconazole", + "names": [ + "Enilconazole", + "Imazalil" + ] + }, + { + "compound_id": "C18740", + "inchi": "InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3", + "name": "Ioxynil octanoate", + "names": [ + "Ioxynil octanoate" + ] + }, + { + "compound_id": "C18741", + "inchi": "InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3", + "name": "MCPA-thioethyl", + "names": [ + "MCPA-thioethyl" + ] + }, + { + "compound_id": "C18742", + "inchi": "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)", + "name": "Mecoprop", + "names": [ + "Mecoprop" + ] + }, + { + "compound_id": "C18743", + "inchi": "InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)", + "name": "Mefluidide", + "names": [ + "Mefluidide" + ] + }, + { + "compound_id": "C18744", + "inchi": "InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3", + "name": "Metaldehyde", + "names": [ + "Metaldehyde" + ] + }, + { + "compound_id": "C18745", + "inchi": "InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+", + "name": "Methacrifos", + "names": [ + "Methacrifos" + ] + }, + { + "compound_id": "C18746", + "inchi": "InChI=1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)", + "name": "Methasulfocarb", + "names": [ + "Methasulfocarb" + ] + }, + { + "compound_id": "C18747", + "inchi": "InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)", + "name": "Metolcarb", + "names": [ + "Metolcarb" + ] + }, + { + "compound_id": "C18748", + "inchi": "InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2", + "name": "Nabam", + "names": [ + "Nabam" + ] + }, + { + "compound_id": "C18749", + "inchi": "InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3", + "name": "Naled", + "names": [ + "Naled" + ] + }, + { + "compound_id": "C18750", + "inchi": "InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)", + "name": "2-Napthyloxyacetic acid", + "names": [ + "2-Napthyloxyacetic acid" + ] + }, + { + "compound_id": "C18751", + "inchi": "InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H", + "name": "Nitrapyrin", + "names": [ + "Nitrapyrin" + ] + }, + { + "compound_id": "C18752", + "inchi": "InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3", + "name": "Octhilinone", + "names": [ + "Octhilinone" + ] + }, + { + "compound_id": "C18753", + "inchi": "InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3", + "name": "Oxadixyl", + "names": [ + "Oxadixyl" + ] + }, + { + "compound_id": "C18754", + "inchi": "InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2", + "name": "Captafol", + "names": [ + "Captafol" + ] + }, + { + "compound_id": "C18755", + "inchi": "InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3", + "name": "Pebulate", + "names": [ + "Pebulate" + ] + }, + { + "compound_id": "C18756", + "inchi": "InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3", + "name": "Phosmet", + "names": [ + "Phosmet" + ] + }, + { + "compound_id": "C18757", + "inchi": "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+", + "name": "Phoxim", + "names": [ + "Phoxim" + ] + }, + { + "compound_id": "C18758", + "inchi": "InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3", + "name": "Piperophos", + "names": [ + "Piperophos" + ] + }, + { + "compound_id": "C18759", + "inchi": "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3", + "name": "Propachlor", + "names": [ + "Propachlor" + ] + }, + { + "compound_id": "C18760", + "inchi": "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3", + "name": "Prosulfocarb", + "names": [ + "Prosulfocarb" + ] + }, + { + "compound_id": "C18761", + "inchi": "InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3", + "name": "Pyrazophos", + "names": [ + "Pyrazophos" + ] + }, + { + "compound_id": "C18762", + "inchi": "InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3", + "name": "Pyridafenthion", + "names": [ + "Pyridafenthion", + "Pyridaphenthion" + ] + }, + { + "compound_id": "C18763", + "inchi": "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)", + "name": "Quizalofop", + "names": [ + "Quizalofop" + ] + }, + { + "compound_id": "C18764", + "inchi": "InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3", + "name": "Quizalofop-P-tefuryl", + "names": [ + "Quizalofop-P-tefuryl" + ] + }, + { + "compound_id": "C18765", + "inchi": "InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1", + "name": "Sodium chlorate", + "names": [ + "Sodium chlorate" + ] + }, + { + "compound_id": "C18766", + "inchi": "InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3", + "name": "Sulfluramid", + "names": [ + "Sulfluramid" + ] + }, + { + "compound_id": "C18767", + "inchi": "InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)", + "name": "2,3,6-TBA", + "names": [ + "2,3,6-TBA", + "2,3,6-Trichlorobenzoic acid" + ] + }, + { + "compound_id": "C18768", + "inchi": "InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)", + "name": "Terbumeton", + "names": [ + "Terbumeton" + ] + }, + { + "compound_id": "C18769", + "inchi": "InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3/b21-16+", + "name": "Tralkoxydim", + "names": [ + "Tralkoxydim" + ] + }, + { + "compound_id": "C18770", + "inchi": "InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3", + "name": "Triazamate", + "names": [ + "Triazamate" + ] + }, + { + "compound_id": "C18771", + "inchi": "InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)", + "name": "XMC", + "names": [ + "3,5-Xylyl methylcarbamate", + "XMC" + ] + }, + { + "compound_id": "C18772", + "inchi": "InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,13-14H,2,6,8-10H2,1,3-5H3/b18-11+", + "name": "Alloxydim", + "names": [ + "Alloxydim" + ] + }, + { + "compound_id": "C18773", + "inchi": "InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3", + "name": "Ammonium sulfamate", + "names": [ + "Ammonium sulfamate" + ] + }, + { + "compound_id": "C18774", + "inchi": "InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3", + "name": "Ancymidol", + "names": [ + "Ancymidol" + ] + }, + { + "compound_id": "C18775", + "inchi": "InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)", + "name": "Benazolin", + "names": [ + "Benazolin" + ] + }, + { + "compound_id": "C18776", + "inchi": "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)", + "name": "Bupirimate", + "names": [ + "Bupirimate" + ] + }, + { + "compound_id": "C18777", + "inchi": "InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)", + "name": "Chlorimuron", + "names": [ + "Chlorimuron" + ] + }, + { + "compound_id": "C18778", + "inchi": "InChI=1S/C25H24O9/c1-9-5-11-7-14(28)20-22(18(11)13(27)6-9)25(32)19-12(26)3-4-16(21(19)24(20)31)34-17-8-15(29)23(30)10(2)33-17/h3-6,10,14-15,17,23,26-30H,7-8H2,1-2H3/t10-,14-,15-,17+,23-/m1/s1", + "name": "8-D-Olivosyl-landomycin", + "names": [ + "8-D-Olivosyl-landomycin", + "Landomycin I" + ] + }, + { + "compound_id": "C18779", + "inchi": "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)", + "name": "Clopyralid", + "names": [ + "3,6-Dichloro-2-pyridinecarboxylic acid", + "Clopyralid" + ] + }, + { + "compound_id": "C18780", + "inchi": "InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3", + "name": "Cycloate", + "names": [ + "Cycloate" + ] + }, + { + "compound_id": "C18781", + "inchi": "InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)", + "name": "Diafenthiuron", + "names": [ + "Diafenthiuron" + ] + }, + { + "compound_id": "C18782", + "inchi": "InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2", + "name": "Dichlormid", + "names": [ + "Dichlormid" + ] + }, + { + "compound_id": "C18783", + "inchi": "InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)", + "name": "Dimefuron", + "names": [ + "Dimefuron" + ] + }, + { + "compound_id": "C18784", + "inchi": "InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)", + "name": "Dimethirimol", + "names": [ + "Dimethirimol" + ] + }, + { + "compound_id": "C18785", + "inchi": "InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3", + "name": "Dinitramine", + "names": [ + "Dinitramine" + ] + }, + { + "compound_id": "C18786", + "inchi": "InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3", + "name": "Dodemorph", + "names": [ + "Dodemorph" + ] + }, + { + "compound_id": "C18787", + "inchi": "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+", + "name": "Fenpropimorph", + "names": [ + "Fenpropimorph" + ] + }, + { + "compound_id": "C18788", + "inchi": "InChI=1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)/t10-/m1/s1", + "name": "Flamprop-M", + "names": [ + "Flamprop-M" + ] + }, + { + "compound_id": "C18789", + "inchi": "InChI=1S/C3H8NO4P/c1-2-8-9(6,7)3(4)5/h2H2,1H3,(H2,4,5)(H,6,7)", + "name": "Fosamine", + "names": [ + "Fosamine" + ] + }, + { + "compound_id": "C18790", + "inchi": "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1", + "name": "tau-Fluvalinate", + "names": [ + "tau-Fluvalinate" + ] + }, + { + "compound_id": "C18791", + "inchi": "InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)", + "name": "Halofenozide", + "names": [ + "Halofenozide" + ] + }, + { + "compound_id": "C18792", + "inchi": "InChI=1S/C17H20N2O/c1-17(2,14-10-6-4-7-11-14)18-16(20)19(3)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,20)", + "name": "Methyldymron", + "names": [ + "Methyldymron" + ] + }, + { + "compound_id": "C18793", + "inchi": "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", + "name": "Metobromuron", + "names": [ + "Metobromuron" + ] + }, + { + "compound_id": "C18794", + "inchi": "InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", + "name": "Monolinuron", + "names": [ + "Monolinuron" + ] + }, + { + "compound_id": "C18795", + "inchi": "InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3", + "name": "MGK 264", + "names": [ + "MGK 264", + "N-Octylbicycloheptene dicarboximide" + ] + }, + { + "compound_id": "C18796", + "inchi": "InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1", + "name": "(2R)-2-Hydroxy-2-methylbutanenitrile", + "names": [ + "(2R)-2-Hydroxy-2-methylbutanenitrile", + "2-Hydroxy-2-methylbutanenitrile" + ] + }, + { + "compound_id": "C18797", + "inchi": null, + "name": "(S)-Hydroxynitrile", + "names": [ + "(S)-Cyanohydrin", + "(S)-Hydroxynitrile" + ] + }, + { + "compound_id": "C18798", + "inchi": "InChI=1S/C36H52N7O19P/c1-15-26-16(2)42(14-43(26)27-31(38-15)40-36(37)41-33(27)54)18-5-3-17(4-6-18)11-20(44)28(50)21(45)12-59-35-30(52)29(51)23(61-35)13-60-63(57,58)62-22(8-10-25(48)49)32(53)39-19(34(55)56)7-9-24(46)47/h3-6,15-16,19-23,26,28-30,35,44-45,50-52H,7-14H2,1-2H3,(H,39,53)(H,46,47)(H,48,49)(H,55,56)(H,57,58)(H4,37,38,40,41,54)/t15-,16+,19-,20-,21+,22+,23+,26+,28-,29+,30+,35-/m0/s1", + "name": "5,10-Methylene-H4SPT", + "names": [ + "5,10-Methylene-H4SPT", + "5,10-Methylene-tetrahydrosarcinapterin", + "Methylene-tetrahydrosarcinapterin" + ] + }, + { + "compound_id": "C18799", + "inchi": "InChI=1S/C36H54N7O19P/c1-15(26-16(2)39-31-27(43(26)3)33(54)42-36(37)41-31)38-18-6-4-17(5-7-18)12-20(44)28(50)21(45)13-59-35-30(52)29(51)23(61-35)14-60-63(57,58)62-22(9-11-25(48)49)32(53)40-19(34(55)56)8-10-24(46)47/h4-7,15-16,19-23,26,28-30,35,38,44-45,50-52H,8-14H2,1-3H3,(H,40,53)(H,46,47)(H,48,49)(H,55,56)(H,57,58)(H4,37,39,41,42,54)/t15-,16+,19+,20+,21-,22+,23-,26+,28+,29-,30-,35+/m1/s1", + "name": "5-Methyl-H4SPT", + "names": [ + "5-Methyl-H4SPT", + "5-Methyl-tetrahydrosarcinapterin" + ] + }, + { + "compound_id": "C18800", + "inchi": "InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3", + "name": "Ofurace", + "names": [ + "Ofurace" + ] + }, + { + "compound_id": "C18801", + "inchi": "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3", + "name": "Penconazole", + "names": [ + "Penconazole" + ] + }, + { + "compound_id": "C18802", + "inchi": "InChI=1S/C35H52N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14-15,18-22,25,27-29,34,37,40,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H4,36,38,41,42,53)/t14-,15+,18+,19+,20-,21+,22-,25+,27+,28-,29-,34+/m1/s1", + "name": "Tetrahydrosarcinapterin", + "names": [ + "5,6,7,8-Tetrahydrosarcinapterin", + "H4SPT", + "Tetrahydrosarcinapterin" + ] + }, + { + "compound_id": "C18803", + "inchi": "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3", + "name": "Pyridate", + "names": [ + "Pyridate" + ] + }, + { + "compound_id": "C18804", + "inchi": "InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-", + "name": "Pyrifenox", + "names": [ + "Pyrifenox" + ] + }, + { + "compound_id": "C18805", + "inchi": "InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1", + "name": "Pyrithiobac-sodium", + "names": [ + "Pyrithiobac sodium", + "Pyrithiobac-sodium" + ] + }, + { + "compound_id": "C18806", + "inchi": "InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)", + "name": "Quinclorac", + "names": [ + "Quinclorac" + ] + }, + { + "compound_id": "C18807", + "inchi": "InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)/t15-,21+", + "name": "Spirotetramat", + "names": [ + "Spirotetramat" + ] + }, + { + "compound_id": "C18808", + "inchi": "InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1", + "name": "TCA-sodium", + "names": [ + "TCA-sodium", + "Trichloroacetic acid sodium" + ] + }, + { + "compound_id": "C18809", + "inchi": "InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3", + "name": "Temefos", + "names": [ + "Temefos" + ] + }, + { + "compound_id": "C18810", + "inchi": "InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)", + "name": "Terbuthylazine", + "names": [ + "Terbuthylazine" + ] + }, + { + "compound_id": "C18811", + "inchi": "InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)", + "name": "Terbutryn", + "names": [ + "Terbutryn" + ] + }, + { + "compound_id": "C18812", + "inchi": "InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)", + "name": "Thidiazuron", + "names": [ + "Thidiazuron" + ] + }, + { + "compound_id": "C18813", + "inchi": "InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3", + "name": "Tri-allate", + "names": [ + "Tri-allate", + "Triallate" + ] + }, + { + "compound_id": "C18814", + "inchi": "InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)", + "name": "Trietazine", + "names": [ + "Trietazine" + ] + }, + { + "compound_id": "C18815", + "inchi": "InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-", + "name": "Triticonazole", + "names": [ + "Triticonazole" + ] + }, + { + "compound_id": "C18816", + "inchi": "InChI=1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6", + "name": "Cryolite", + "names": [ + "Aluminum sodium fluoride", + "Cryolite" + ] + }, + { + "compound_id": "C18817", + "inchi": "InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)", + "name": "Chlorotoluron", + "names": [ + "Chlorotoluron" + ] + }, + { + "compound_id": "C18818", + "inchi": "InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)", + "name": "Cinosulfuron", + "names": [ + "Cinosulfuron" + ] + }, + { + "compound_id": "C18819", + "inchi": "InChI=1S/C9H9ClO4.Na/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13;/h1-3,11H,4-5H2,(H,12,13);/q;+1/p-1", + "name": "Cloxyfonac-sodium", + "names": [ + "Cloxyfonac-sodium" + ] + }, + { + "compound_id": "C18820", + "inchi": "InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3", + "name": "Dichlofluanid", + "names": [ + "Dichlofluanid" + ] + }, + { + "compound_id": "C18821", + "inchi": "InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3", + "name": "Diclosulam", + "names": [ + "Diclosulam" + ] + }, + { + "compound_id": "C18822", + "inchi": "InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,29-,32+,33+,34+,35?,37+,38+,39-,40-,41?,42-,43?,44?,50+,51+,54?,55?/m0/s1", + "name": "Landomycin A", + "names": [ + "Landomycin A" + ] + }, + { + "compound_id": "C18823", + "inchi": "InChI=1S/C49H64O20/c1-18-11-24-13-27(52)41-43(39(24)26(51)12-18)47(59)40-25(50)7-8-32(42(40)46(41)58)66-36-16-30(55)49(23(6)64-36)69-38-17-33(45(57)21(4)62-38)67-34-10-9-31(19(2)60-34)65-35-15-29(54)48(22(5)63-35)68-37-14-28(53)44(56)20(3)61-37/h7-8,11-12,19-23,27-31,33-38,44-45,48-57H,9-10,13-17H2,1-6H3/t19-,20+,21+,22+,23+,27+,28+,29+,30+,31?,33+,34-,35?,36-,37?,38?,44+,45+,48?,49?/m0/s1", + "name": "Landomycin B", + "names": [ + "Landomycin B" + ] + }, + { + "compound_id": "C18824", + "inchi": "InChI=1S/C43H54O17/c1-16-10-21-12-24(46)36-38(34(21)23(45)11-16)42(52)35-22(44)6-7-28(37(35)41(36)51)58-32-14-26(48)43(20(5)56-32)60-33-15-29(40(50)19(4)55-33)59-30-9-8-27(17(2)53-30)57-31-13-25(47)39(49)18(3)54-31/h6-7,10-11,17-20,24-27,29-33,39-40,43-50H,8-9,12-15H2,1-5H3/t17-,18+,19+,20+,24+,25+,26+,27?,29+,30-,31?,32-,33?,39+,40+,43?/m0/s1", + "name": "Landomycin J", + "names": [ + "Landomycin J" + ] + }, + { + "compound_id": "C18825", + "inchi": "InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)/t6-,7+,8-,12+/m0/s1", + "name": "Dikegulac", + "names": [ + "Dikegulac", + "Diprogulic acid" + ] + }, + { + "compound_id": "C18826", + "inchi": "InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3", + "name": "Dithiopyr", + "names": [ + "Dithiopyr" + ] + }, + { + "compound_id": "C18827", + "inchi": "InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3", + "name": "Ethalfluralin", + "names": [ + "Ethalfluralin" + ] + }, + { + "compound_id": "C18828", + "inchi": "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)", + "name": "Ethirimol", + "names": [ + "Ethirimol" + ] + }, + { + "compound_id": "C18829", + "inchi": "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3", + "name": "Ethofumesate", + "names": [ + "Ethofumesate" + ] + }, + { + "compound_id": "C18830", + "inchi": "InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3", + "name": "Ethyl 3-(N-butylacetamido)propionate", + "names": [ + "Ethyl 3-(N-butylacetamido)propionate", + "Ethyl butylacetylaminopropionate" + ] + }, + { + "compound_id": "C18831", + "inchi": "InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3", + "name": "Fenchlorazole-ethyl", + "names": [ + "Fenchlorazole-ethyl" + ] + }, + { + "compound_id": "C18832", + "inchi": "InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H", + "name": "Fenclorim", + "names": [ + "Fenclorim" + ] + }, + { + "compound_id": "C18833", + "inchi": "InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)", + "name": "Fenfuram", + "names": [ + "Fenfuram" + ] + }, + { + "compound_id": "C18834", + "inchi": "InChI=1S/C27H44N7O19P3S/c1-4-5-14(25(39)40)26(41)57-9-8-29-16(35)6-7-30-23(38)20(37)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-19(52-54(42,43)44)18(36)24(51-15)34-13-33-17-21(28)31-12-32-22(17)34/h12-15,18-20,24,36-37H,4-11H2,1-3H3,(H,29,35)(H,30,38)(H,39,40)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t14?,15-,18-,19-,20?,24-/m1/s1", + "name": "Propylmalonyl-CoA", + "names": [ + "Propylmalonyl-CoA" + ] + }, + { + "compound_id": "C18835", + "inchi": "InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m1/s1", + "name": "(R)-DNPA", + "names": [ + "(R)-DNPA" + ] + }, + { + "compound_id": "C18836", + "inchi": "InChI=1S/C16H16O6/c1-8-4-9(17)5-13(22-3)14(8)16(20)15-11(18)6-10(21-2)7-12(15)19/h4-7,17-19H,1-3H3", + "name": "Griseophenone C", + "names": [ + "Griseophenone C" + ] + }, + { + "compound_id": "C18837", + "inchi": "InChI=1S/C16H15ClO6/c1-7-4-8(18)5-10(22-2)12(7)15(20)13-9(19)6-11(23-3)14(17)16(13)21/h4-6,18-19,21H,1-3H3", + "name": "Griseophenone B", + "names": [ + "Griseophenone B" + ] + }, + { + "compound_id": "C18838", + "inchi": "InChI=1S/C17H15ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h5-7H,1-4H3/t17-/m0/s1", + "name": "Dehydrogriseofulvin", + "names": [ + "Dehydrogriseofulvin" + ] + }, + { + "compound_id": "C18839", + "inchi": "InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24+,27+,28-,30?,31-,32-,33?,34+,35+,36?,37+,42+,43+,44-,45-,48+,49+,52+,53?/m1/s1", + "name": "Prechromomycin B", + "names": [ + "Prechromomycin B" + ] + }, + { + "compound_id": "C18840", + "inchi": "InChI=1S/C17H14O5/c1-2-3-8-4-9(18)5-11-14(8)17(22)15-12(16(11)21)6-10(19)7-13(15)20/h4-7,18-20H,2-3H2,1H3", + "name": "R1128A", + "names": [ + "R1128A" + ] + }, + { + "compound_id": "C18841", + "inchi": "InChI=1S/C18H16O5/c1-2-3-4-9-5-10(19)6-12-15(9)18(23)16-13(17(12)22)7-11(20)8-14(16)21/h5-8,19-21H,2-4H2,1H3", + "name": "R1128B", + "names": [ + "R1128B" + ] + }, + { + "compound_id": "C18842", + "inchi": "InChI=1S/C19H18O5/c1-9(2)3-4-10-5-11(20)6-13-16(10)19(24)17-14(18(13)23)7-12(21)8-15(17)22/h5-9,20-22H,3-4H2,1-2H3", + "name": "R1128C", + "names": [ + "R1128C" + ] + }, + { + "compound_id": "C18843", + "inchi": "InChI=1S/C19H18O5/c1-2-3-4-5-10-6-11(20)7-13-16(10)19(24)17-14(18(13)23)8-12(21)9-15(17)22/h6-9,20-22H,2-5H2,1H3", + "name": "R1128D", + "names": [ + "R1128D" + ] + }, + { + "compound_id": "C18844", + "inchi": "InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33?,34-,37?,38?,39-,40-,41-,42?,43+,44+,45?,46-/m1/s1", + "name": "Spiramycin III", + "names": [ + "Spiramycin III" + ] + }, + { + "compound_id": "C18845", + "inchi": "InChI=1S/C37H61NO12/c1-11-27-24(18-45-37-35(44-10)34(43-9)30(41)23(6)47-37)33-28(49-33)14-13-26(39)20(3)16-21(4)32(19(2)12-15-29(40)48-27)50-36-31(42)25(38(7)8)17-22(5)46-36/h12-15,19-25,27-28,30-37,41-42H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24+,25-,27+,28+,30+,31+,32+,33+,34+,35+,36-,37+/m0/s1", + "name": "Mycinamicin I", + "names": [ + "Mycinamicin I" + ] + }, + { + "compound_id": "C18846", + "inchi": "InChI=1/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1", + "name": "Mycinamicin IV", + "names": [ + "Mycinamicin IV" + ] + }, + { + "compound_id": "C18847", + "inchi": "InChI=1/C37H61NO12/c1-11-28-37(43,20-46-36-34(45-10)33(44-9)30(41)25(6)48-36)17-13-12-14-27(39)22(3)18-23(4)32(21(2)15-16-29(40)49-28)50-35-31(42)26(38(7)8)19-24(5)47-35/h12-17,21-26,28,30-36,41-43H,11,18-20H2,1-10H3/b14-12+,16-15+,17-13+/t21-,22+,23-,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+,37-/m0/s1", + "name": "Mycinamicin V", + "names": [ + "Mycinamicin V" + ] + }, + { + "compound_id": "C18848", + "inchi": "InChI=1S/C20H30O5/c1-12-8-6-7-9-17(21)13(2)10-14(3)20(24)15(4)18(22)11-19(23)25-16(12)5/h6-9,12-16,20,24H,10-11H2,1-5H3/b8-6+,9-7+/t12-,13+,14-,15-,16+,20-/m0/s1", + "name": "Chalcolactone", + "names": [ + "Chalcolactone" + ] + }, + { + "compound_id": "C18849", + "inchi": "InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3", + "name": "Flumetralin", + "names": [ + "Flumetralin" + ] + }, + { + "compound_id": "C18850", + "inchi": "InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3", + "name": "Florasulam", + "names": [ + "Florasulam" + ] + }, + { + "compound_id": "C18851", + "inchi": "InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1", + "name": "Flucarbazone-sodium", + "names": [ + "Flucarbazone-sodium" + ] + }, + { + "compound_id": "C18852", + "inchi": "InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3", + "name": "Flumetsulam", + "names": [ + "Flumetsulam" + ] + }, + { + "compound_id": "C18853", + "inchi": "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)", + "name": "Fluometuron", + "names": [ + "Fluometuron" + ] + }, + { + "compound_id": "C18854", + "inchi": "InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)", + "name": "Flupropanate", + "names": [ + "Flupropanate" + ] + }, + { + "compound_id": "C18855", + "inchi": "InChI=1/C15H14F3N5O7S.Na/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18;/h4-6H,1-3H3,(H2,20,21,22,23,25);/f/h22-23H;", + "name": "Flupyrsulfuron-methyl sodium", + "names": [ + "Flupyrsulfuron-methyl sodium" + ] + }, + { + "compound_id": "C18856", + "inchi": "InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)", + "name": "Flurecol", + "names": [ + "Flurecol" + ] + }, + { + "compound_id": "C18857", + "inchi": "InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3", + "name": "Fluridone", + "names": [ + "Fluridone" + ] + }, + { + "compound_id": "C18858", + "inchi": "InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)", + "name": "Fluroxypyr", + "names": [ + "Fluroxypyr" + ] + }, + { + "compound_id": "C18859", + "inchi": "InChI=1S/C14H13ClFN3O3S2/c15-8-5-9(16)10(6-11(8)23-7-12(20)21)17-13-18-3-1-2-4-19(18)14(22)24-13/h5-6H,1-4,7H2,(H,20,21)/b17-13-", + "name": "Fluthiacet", + "names": [ + "Fluthiacet" + ] + }, + { + "compound_id": "C18860", + "inchi": "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H", + "name": "Folpet", + "names": [ + "Folpet" + ] + }, + { + "compound_id": "C18861", + "inchi": "InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)", + "name": "Hexaflumuron", + "names": [ + "Hexaflumuron" + ] + }, + { + "compound_id": "C18862", + "inchi": "InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+", + "name": "Hydroprene", + "names": [ + "Hydroprene" + ] + }, + { + "compound_id": "C18863", + "inchi": "InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3", + "name": "2-(Octylthio)ethanol", + "names": [ + "2-(Octylthio)ethanol", + "2-Hydroxyethyl octyl sulphide" + ] + }, + { + "compound_id": "C18864", + "inchi": "InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)", + "name": "Imazapyr", + "names": [ + "Imazapyr" + ] + }, + { + "compound_id": "C18865", + "inchi": "InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)", + "name": "Imazethapyr", + "names": [ + "Imazethapyr" + ] + }, + { + "compound_id": "C18866", + "inchi": "InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1", + "name": "Iprovalicarb", + "names": [ + "Iprovalicarb" + ] + }, + { + "compound_id": "C18867", + "inchi": "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3", + "name": "Metosulam", + "names": [ + "Metosulam" + ] + }, + { + "compound_id": "C18868", + "inchi": "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3", + "name": "Napropamide", + "names": [ + "Napropamide" + ] + }, + { + "compound_id": "C18869", + "inchi": "InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)", + "name": "Naptalam", + "names": [ + "N-1-Naphthylphthalamic acid", + "Naptalam" + ] + }, + { + "compound_id": "C18870", + "inchi": "InChI=1S/C20H32N6O12S2Se/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-41-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1", + "name": "Selenodiglutathione", + "names": [ + "GSSeSG", + "Selenodiglutathione" + ] + }, + { + "compound_id": "C18871", + "inchi": "InChI=1S/C10H17N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6,21H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1", + "name": "Glutathioselenol", + "names": [ + "GSSeH", + "Glutathioselenol" + ] + }, + { + "compound_id": "C18872", + "inchi": "InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1", + "name": "Trimethylselenonium", + "names": [ + "Trimethylselenonium" + ] + }, + { + "compound_id": "C18873", + "inchi": "InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3", + "name": "Nitrothal-isopropyl", + "names": [ + "Nitrothal-isopropyl" + ] + }, + { + "compound_id": "C18874", + "inchi": "InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3", + "name": "Norflurazon", + "names": [ + "Norflurazon" + ] + }, + { + "compound_id": "C18875", + "inchi": "InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)", + "name": "Novaluron", + "names": [ + "Novaluron" + ] + }, + { + "compound_id": "C18876", + "inchi": "InChI=1S/C17H7Cl2F9N2O3/c18-5-4-8(29-15(32)30-13(31)9-6(20)2-1-3-7(9)21)11(22)10(19)12(5)33-17(27,28)14(23)16(24,25)26/h1-4,14H,(H2,29,30,31,32)", + "name": "Noviflumuron", + "names": [ + "Noviflumuron" + ] + }, + { + "compound_id": "C18877", + "inchi": "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)", + "name": "Oryzalin", + "names": [ + "Oryzalin" + ] + }, + { + "compound_id": "C18878", + "inchi": "InChI=1S/C12H12N2O3/c13-8-11(10-4-2-1-3-5-10)14-17-9-12-15-6-7-16-12/h1-5,12H,6-7,9H2/b14-11-", + "name": "Oxabetrinil", + "names": [ + "Oxabetrinil" + ] + }, + { + "compound_id": "C18879", + "inchi": "InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2", + "name": "Oxine-copper", + "names": [ + "Copper 8-hydroxyquinoline", + "Oxine-copper" + ] + }, + { + "compound_id": "C18880", + "inchi": "InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3", + "name": "Piperonyl butoxide", + "names": [ + "Piperonyl butoxide" + ] + }, + { + "compound_id": "C18881", + "inchi": "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3", + "name": "Oxyfluorfen", + "names": [ + "Oxyfluorfen" + ] + }, + { + "compound_id": "C18882", + "inchi": "InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)", + "name": "Pentanochlor", + "names": [ + "Pentanochlor" + ] + }, + { + "compound_id": "C18883", + "inchi": "InChI=1S/C14H10F4N4O7S/c15-11(16)28-8-5-9(29-12(17)18)20-13(19-8)21-14(25)22-30(26,27)7-4-2-1-3-6(7)10(23)24/h1-5,11-12H,(H,23,24)(H2,19,20,21,22,25)", + "name": "Primisulfuron", + "names": [ + "Primisulfuron" + ] + }, + { + "compound_id": "C18884", + "inchi": "InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3", + "name": "Prodiamine", + "names": [ + "Prodiamine" + ] + }, + { + "compound_id": "C18885", + "inchi": "InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)", + "name": "Propamocarb", + "names": [ + "Propamocarb" + ] + }, + { + "compound_id": "C18886", + "inchi": "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1", + "name": "Propaquizafop", + "names": [ + "Propaquizafop" + ] + }, + { + "compound_id": "C18887", + "inchi": "InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)", + "name": "Propham", + "names": [ + "Propham" + ] + }, + { + "compound_id": "C18888", + "inchi": "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)", + "name": "Prothioconazole", + "names": [ + "Prothioconazole" + ] + }, + { + "compound_id": "C18889", + "inchi": "InChI=1S/C12H14N6O7S/c1-18-9(6(5-13-18)10(19)20)26(22,23)17-12(21)16-11-14-7(24-2)4-8(15-11)25-3/h4-5H,1-3H3,(H,19,20)(H2,14,15,16,17,21)", + "name": "Pyrazosulfuron", + "names": [ + "Pyrazosulfuron" + ] + }, + { + "compound_id": "C18890", + "inchi": "InChI=1S/C16H17N3O6/c1-9(19-24-4)10-6-5-7-11(14(10)15(20)21)25-16-17-12(22-2)8-13(18-16)23-3/h5-8H,1-4H3,(H,20,21)/b19-9+", + "name": "Pyriminobac", + "names": [ + "Pyriminobac" + ] + }, + { + "compound_id": "C18891", + "inchi": "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)", + "name": "Quinmerac", + "names": [ + "Quinmerac" + ] + }, + { + "compound_id": "C18892", + "inchi": "InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H", + "name": "Quinoxyfen", + "names": [ + "Quinoxyfen" + ] + }, + { + "compound_id": "C18893", + "inchi": "InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1", + "name": "1-Methylseleno-N-acetyl-D-galactosamine", + "names": [ + "1-Methylseleno-N-acetyl-D-galactosamine" + ] + }, + { + "compound_id": "C18894", + "inchi": "InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37?,39+,40-,41-,42+/m1/s1", + "name": "Spinetoram", + "names": [ + "Spinetoram" + ] + }, + { + "compound_id": "C18895", + "inchi": "InChI=1S/C14H14N4O5S/c1-8-7-9(2)16-13(15-8)17-14(21)18-24(22,23)11-6-4-3-5-10(11)12(19)20/h3-7H,1-2H3,(H,19,20)(H2,15,16,17,18,21)", + "name": "Sulfometuron", + "names": [ + "Sulfometuron" + ] + }, + { + "compound_id": "C18896", + "inchi": "InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3", + "name": "Tebutam", + "names": [ + "Butam", + "Tebutam" + ] + }, + { + "compound_id": "C18897", + "inchi": "InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H", + "name": "Tecnazene", + "names": [ + "2,3,5,6-Tetrachloro-1-nitrobenzene", + "Tecnazene" + ] + }, + { + "compound_id": "C18898", + "inchi": "InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3", + "name": "Tiocarbazil", + "names": [ + "Thiocarbazil", + "Tiocarbazil" + ] + }, + { + "compound_id": "C18899", + "inchi": "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3", + "name": "Tolylfluanid", + "names": [ + "Tolylfluanid" + ] + }, + { + "compound_id": "C18900", + "inchi": "InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)", + "name": "Tribenuron", + "names": [ + "Tribenuron" + ] + }, + { + "compound_id": "C18901", + "inchi": "InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)", + "name": "Triflusulfuron-methyl", + "names": [ + "Triflusulfuron-methyl" + ] + }, + { + "compound_id": "C18902", + "inchi": "InChI=1S/CH4O2Se/c1-4(2)3/h1H3,(H,2,3)", + "name": "Methylselenic acid", + "names": [ + "Methylselenic acid", + "Methylseleninate" + ] + }, + { + "compound_id": "C18903", + "inchi": "InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)", + "name": "Zoxamide", + "names": [ + "Zoxamide" + ] + }, + { + "compound_id": "C18904", + "inchi": "InChI=1S/C4H6O3Se/c1-8-2-3(5)4(6)7/h2H2,1H3,(H,6,7)", + "name": "Methylselenopyruvate", + "names": [ + "Methylselenopyruvate", + "beta-Methylselenopyruvate" + ] + }, + { + "compound_id": "C18905", + "inchi": "InChI=1S/C4H9NO3Se/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1", + "name": "Methylselenocysteine Se-oxide", + "names": [ + "Methylselenocysteine Se-oxide", + "Methylselenocysteine selenooxide" + ] + }, + { + "compound_id": "C18906", + "inchi": "InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+", + "name": "Aldoxycarb", + "names": [ + "Aldoxycarb" + ] + }, + { + "compound_id": "C18907", + "inchi": "InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)", + "name": "Benodanil", + "names": [ + "Benodanil" + ] + }, + { + "compound_id": "C18908", + "inchi": "InChI=1S/C9H7Cl5N2O/c10-6-2-1-5(3-7(6)11)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)", + "name": "Chloraniformethan", + "names": [ + "Chloraniformethan" + ] + }, + { + "compound_id": "C18909", + "inchi": "InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2", + "name": "Cyprofuram", + "names": [ + "Cyprofuram" + ] + }, + { + "compound_id": "C18910", + "inchi": "InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1", + "name": "2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one", + "names": [ + "2,5-Diamino-6-(1-D-ribitylamino)pyrimidin-4(3H)-one 5'-phosphate", + "2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one" + ] + }, + { + "compound_id": "C18911", + "inchi": "InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-/m0/s1", + "name": "(R)-4-Phosphopantoate", + "names": [ + "(R)-4-Phosphopantoate" + ] + }, + { + "compound_id": "C18912", + "inchi": "InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3", + "name": "Furmecyclox", + "names": [ + "Furmecyclox" + ] + }, + { + "compound_id": "C18913", + "inchi": "InChI=1S/C14H13NO/c1-11-7-5-6-10-13(11)14(16)15-12-8-3-2-4-9-12/h2-10H,1H3,(H,15,16)", + "name": "Mebenil", + "names": [ + "Mebenil" + ] + }, + { + "compound_id": "C18914", + "inchi": "InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)", + "name": "Pyracarbolid", + "names": [ + "Pyracarbolid" + ] + }, + { + "compound_id": "C18915", + "inchi": "InChI=1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)", + "name": "Salicylanilide", + "names": [ + "Salicylanilide" + ] + }, + { + "compound_id": "C18916", + "inchi": "InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)", + "name": "Trichlamide", + "names": [ + "Trichlamide" + ] + }, + { + "compound_id": "C18917", + "inchi": "InChI=1S/C16H19N5O3/c1-24-16(23)20-14-19-12-8-4-5-9-13(12)21(14)15(22)18-11-7-3-2-6-10-17/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,18,22)(H,19,20,23)", + "name": "Cypendazole", + "names": [ + "Cypendazole" + ] + }, + { + "compound_id": "C18918", + "inchi": "InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)", + "name": "Thiophanate", + "names": [ + "Thiophanate" + ] + }, + { + "compound_id": "C18919", + "inchi": "InChI=1S/C15H14Cl2F3N3O2/c16-10-1-2-11(12(17)5-10)14(6-23-9-21-8-22-23)4-3-13(25-14)24-7-15(18,19)20/h1-2,5,8-9,13H,3-4,6-7H2/t13-,14+/m1/s1", + "name": "Furconazole-cis", + "names": [ + "Furconazole-cis" + ] + }, + { + "compound_id": "C18920", + "inchi": "InChI=1S/C7H3ClF3N3/c8-3-1-4-5(12-2-3)14-6(13-4)7(9,10)11/h1-2H,(H,12,13,14)", + "name": "Fluoromidine", + "names": [ + "Fluoromidine" + ] + }, + { + "compound_id": "C18921", + "inchi": "InChI=1S/C12H11Cl2NO4/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3", + "name": "Myclozolin", + "names": [ + "Myclozolin" + ] + }, + { + "compound_id": "C18922", + "inchi": "InChI=1S/C16H22N2O7/c1-11(2)7-5-4-6-8-12-9-13(17(20)21)10-14(18(22)23)15(12)25-16(19)24-3/h9-11H,4-8H2,1-3H3", + "name": "Dinocton 6", + "names": [ + "Dinocton 6" + ] + }, + { + "compound_id": "C18923", + "inchi": "InChI=1S/C8H16N2OS2/c1-9(2)8(12)13-7-10-3-5-11-6-4-10/h3-7H2,1-2H3", + "name": "Carbamorph", + "names": [ + "Carbamorph" + ] + }, + { + "compound_id": "C18924", + "inchi": "InChI=1S/C13H11N3O2/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(16-18)9-7-11/h1-9,18H,(H,15,17)/b14-11-,16-12+", + "name": "Benquinox", + "names": [ + "Benquinox" + ] + }, + { + "compound_id": "C18925", + "inchi": "InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3", + "name": "Ditalimfos", + "names": [ + "Ditalimfos" + ] + }, + { + "compound_id": "C18926", + "inchi": "InChI=1S/C14H11Cl4O4P/c1-2-20-23(19,21-13-5-3-9(15)7-11(13)17)22-14-6-4-10(16)8-12(14)18/h3-8H,2H2,1H3", + "name": "Phosdiphen", + "names": [ + "Phosdiphen" + ] + }, + { + "compound_id": "C18927", + "inchi": "InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)", + "name": "Triamiphos", + "names": [ + "Triamiphos" + ] + }, + { + "compound_id": "C18928", + "inchi": "InChI=1S/C11H9Cl2NO3/c1-11(2)9(15)14(10(16)17-11)8-4-6(12)3-7(13)5-8/h3-5H,1-2H3", + "name": "Dichlozoline", + "names": [ + "Dichlozoline" + ] + }, + { + "compound_id": "C18929", + "inchi": "InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,12H,1H3/b13-9-", + "name": "Drazoxolon", + "names": [ + "Drazoxolon" + ] + }, + { + "compound_id": "C18930", + "inchi": "InChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/b23-20+", + "name": "Buthiobate", + "names": [ + "Buthiobate" + ] + }, + { + "compound_id": "C18931", + "inchi": "InChI=1S/C13H5Cl2N3/c14-12-9(6-16)11(8-4-2-1-3-5-8)10(7-17)13(15)18-12/h1-5H", + "name": "Pyridinitril", + "names": [ + "Pyridinitril" + ] + }, + { + "compound_id": "C18932", + "inchi": "InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H", + "name": "Triarimol", + "names": [ + "Triarimol" + ] + }, + { + "compound_id": "C18933", + "inchi": "InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11", + "name": "Chloranil", + "names": [ + "2,3,5,6-Tetrachloro-1,4-benzoquinone", + "Chloranil", + "p-Chloranil" + ] + }, + { + "compound_id": "C18934", + "inchi": "InChI=1S/C12H12N2OS/c1-8-11(16-9(2)13-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)", + "name": "Metsulfovax", + "names": [ + "Metsulfovax" + ] + }, + { + "compound_id": "C18935", + "inchi": "InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)", + "name": "Anilazine", + "names": [ + "Anilazine" + ] + }, + { + "compound_id": "C18936", + "inchi": "InChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H", + "name": "Chlorquinox", + "names": [ + "5,6,7,8-Tetrachloroquinoxaline", + "Chlorquinox" + ] + }, + { + "compound_id": "C18937", + "inchi": "InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1", + "name": "Fenaminosulf", + "names": [ + "Fenaminosulf", + "para-Dimethylaminoazobenzenediazo sodium sulfonate" + ] + }, + { + "compound_id": "C18938", + "inchi": "InChI=1S/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-,13+/m1/s1", + "name": "Fenitropan", + "names": [ + "Fenitropan" + ] + }, + { + "compound_id": "C18939", + "inchi": "InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H", + "name": "Fluotrimazole", + "names": [ + "Fluotrimazole" + ] + }, + { + "compound_id": "C18940", + "inchi": "InChI=1S/C20H40N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2(3)4/h2-19H2,1H3,(H,21,22);1H3,(H,3,4)", + "name": "Glyodin", + "names": [ + "Glyodin", + "Glyodin acetate" + ] + }, + { + "compound_id": "C18941", + "inchi": "InChI=1S/C12H7BrClNO2/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12/h2-6H,1H2", + "name": "Halacrinate", + "names": [ + "Halacrinate" + ] + }, + { + "compound_id": "C18942", + "inchi": "InChI=1S/C13H16N4O3S/c1-20-13(19)16-11-15-9-5-3-4-6-10(9)17(11)12(18)14-7-8-21-2/h3-6H,7-8H2,1-2H3,(H,14,18)(H,15,16,19)", + "name": "Mecarbinzid", + "names": [ + "Mecarbinzid" + ] + }, + { + "compound_id": "C18943", + "inchi": "InChI=1S/C8H18N2OS/c1-4-12-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)", + "name": "Prothiocarb", + "names": [ + "Prothiocarb" + ] + }, + { + "compound_id": "C18944", + "inchi": "InChI=1S/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)", + "name": "Quinacetol sulfate", + "names": [ + "Quinacetol", + "Quinacetol sulfate" + ] + }, + { + "compound_id": "C18945", + "inchi": "InChI=1S/C8H5ClN2OS2/c1-2-14(12)8-5(3-10)7(9)6(4-11)13-8/h2H2,1H3", + "name": "Thicyofen", + "names": [ + "Thicyofen" + ] + }, + { + "compound_id": "C18946", + "inchi": "InChI=1S/C9H4N2S3/c12-9-13-7-8(14-9)11-6-4-2-1-3-5(6)10-7/h1-4H", + "name": "Thioquinox", + "names": [ + "Thioquinox" + ] + }, + { + "compound_id": "C18947", + "inchi": "InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)", + "name": "Allyxycarb", + "names": [ + "Allyxycarb" + ] + }, + { + "compound_id": "C18948", + "inchi": "InChI=1S/2C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)16-13(15)14-3;1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h5,7-10H,4,6H2,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3,(H,14,15)", + "name": "Bufencarb", + "names": [ + "Bufencarb" + ] + }, + { + "compound_id": "C18949", + "inchi": "InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)", + "name": "Butacarb", + "names": [ + "Butacarb" + ] + }, + { + "compound_id": "C18950", + "inchi": "InChI=1S/C10H12ClNO2/c1-6-4-5-8(9(11)7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)", + "name": "Carbanolate", + "names": [ + "Carbanolate" + ] + }, + { + "compound_id": "C18951", + "inchi": "InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)", + "name": "Cloethocarb", + "names": [ + "Cloethocarb" + ] + }, + { + "compound_id": "C18952", + "inchi": "InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)", + "name": "Mexacarbate", + "names": [ + "Mexacarbate", + "Zectran" + ] + }, + { + "compound_id": "C18953", + "inchi": "InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)", + "name": "Dioxacarb", + "names": [ + "Dioxacarb" + ] + }, + { + "compound_id": "C18954", + "inchi": "InChI=1S/C9H15N3O2/c1-9(2,5-4-6-10)7-12-14-8(13)11-3/h7H,4-5H2,1-3H3,(H,11,13)/b12-7+", + "name": "Nitrilacarb", + "names": [ + "Nitrilacarb" + ] + }, + { + "compound_id": "C18955", + "inchi": "InChI=1S/C16H23NO3/c1-5-6-14(18)10-17-16(19)20-15-8-12(4)7-13(9-15)11(2)3/h7-9,11H,5-6,10H2,1-4H3,(H,17,19)", + "name": "Promacyl", + "names": [ + "Promacyl" + ] + }, + { + "compound_id": "C18956", + "inchi": "InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)", + "name": "Promecarb", + "names": [ + "Promecarb" + ] + }, + { + "compound_id": "C18957", + "inchi": "InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)", + "name": "2,3,5-Trimethacarb", + "names": [ + "2,3,5-Trimethacarb" + ] + }, + { + "compound_id": "C18958", + "inchi": "InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2", + "name": "Bromocyclen", + "names": [ + "Bromociclen", + "Bromocyclen" + ] + }, + { + "compound_id": "C18959", + "inchi": "InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2", + "name": "Chlorbicyclen", + "names": [ + "Chlorbicyclen" + ] + }, + { + "compound_id": "C18960", + "inchi": "InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H", + "name": "Isobenzan", + "names": [ + "Isobenzan", + "Telodrin" + ] + }, + { + "compound_id": "C18961", + "inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5-,6+,7?,10+,11+/m1/s1", + "name": "Isodrin", + "names": [ + "Isodrin" + ] + }, + { + "compound_id": "C18962", + "inchi": "InChI=1S/C17H12Cl10O4/c1-2-31-7(29)4-3-6(28)5-8(30)9(18)11(20)13(22)10(8,19)14(23)12(9,21)15(11,24)17(26,27)16(13,14)25/h30H,2-5H2,1H3", + "name": "Kelevan", + "names": [ + "Kelevan" + ] + }, + { + "compound_id": "C18963", + "inchi": "InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)", + "name": "Amidithion", + "names": [ + "Amidithion" + ] + }, + { + "compound_id": "C18964", + "inchi": "InChI=1S/C8H15N2O4PS3/c1-4-13-15(16,14-5-2)17-6-10-8(11)18-7(9-10)12-3/h4-6H2,1-3H3", + "name": "Athidathion", + "names": [ + "Athidathion" + ] + }, + { + "compound_id": "C18965", + "inchi": "InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3", + "name": "Bromofos", + "names": [ + "Bromofos" + ] + }, + { + "compound_id": "C18966", + "inchi": "InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3", + "name": "Bromophos-ethyl", + "names": [ + "Bromophos-ethyl" + ] + }, + { + "compound_id": "C18967", + "inchi": "InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3", + "name": "Butonate", + "names": [ + "Butonate" + ] + }, + { + "compound_id": "C18968", + "inchi": "InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3", + "name": "Carbophenothion", + "names": [ + "Carbophenothion" + ] + }, + { + "compound_id": "C18969", + "inchi": "InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3/b15-12+", + "name": "Chlorphoxim", + "names": [ + "Chlorphoxim" + ] + }, + { + "compound_id": "C18970", + "inchi": "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3", + "name": "Chlorthiophos", + "names": [ + "Chlorthiophos" + ] + }, + { + "compound_id": "C18971", + "inchi": "InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+", + "name": "Crotoxyphos", + "names": [ + "Crotoxyfos", + "Crotoxyphos" + ] + }, + { + "compound_id": "C18972", + "inchi": "InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)", + "name": "Crufomate", + "names": [ + "Crufomate" + ] + }, + { + "compound_id": "C18973", + "inchi": "InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3", + "name": "Cyanofenphos", + "names": [ + "Cyanofenphos" + ] + }, + { + "compound_id": "C18974", + "inchi": "InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)", + "name": "Cyanthoate", + "names": [ + "Cyanthoate" + ] + }, + { + "compound_id": "C18975", + "inchi": "InChI=1S/C5H13O3PS2/c1-6-9(10,7-2)8-4-5-11-3/h4-5H2,1-3H3", + "name": "Demephion-O", + "names": [ + "Demephion-O" + ] + }, + { + "compound_id": "C18976", + "inchi": "InChI=1S/C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3/h4-5H2,1-3H3", + "name": "Demephion-S", + "names": [ + "Demephion-S" + ] + }, + { + "compound_id": "C18977", + "inchi": "InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3", + "name": "Demeton-O", + "names": [ + "Demeton-O" + ] + }, + { + "compound_id": "C18978", + "inchi": "InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3", + "name": "Demeton-S", + "names": [ + "Demeton-S" + ] + }, + { + "compound_id": "C18979", + "inchi": "InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3", + "name": "Demeton-S-methylsulphon", + "names": [ + "Demeton-S-methylsulphon" + ] + }, + { + "compound_id": "C18980", + "inchi": "InChI=1S/C4H12FN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3", + "name": "Dimefox", + "names": [ + "Dimefox" + ] + }, + { + "compound_id": "C18981", + "inchi": "InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3", + "name": "Salithion", + "names": [ + "Dioxabenzofos", + "Salithion" + ] + }, + { + "compound_id": "C18982", + "inchi": "InChI=1S/C9H13O6PS/c1-12-9-5-15-7(4-8(9)10)6-17-16(11,13-2)14-3/h4-5H,6H2,1-3H3", + "name": "Endothion", + "names": [ + "Endothion" + ] + }, + { + "compound_id": "C18983", + "inchi": "InChI=1S/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)", + "name": "Ethoate-methyl", + "names": [ + "Ethoate-methyl" + ] + }, + { + "compound_id": "C18984", + "inchi": "InChI=1S/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3", + "name": "Oxydeprofos", + "names": [ + "Oxydeprofos" + ] + }, + { + "compound_id": "C18985", + "inchi": "InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3", + "name": "Etrimfos", + "names": [ + "Etrimfos" + ] + }, + { + "compound_id": "C18986", + "inchi": "InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3", + "name": "Fenchlorphos", + "names": [ + "Fenchlorphos", + "Fenclofos", + "Ronnel" + ] + }, + { + "compound_id": "C18987", + "inchi": "InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3", + "name": "Fonofos", + "names": [ + "Dyphonate", + "Fonofos" + ] + }, + { + "compound_id": "C18988", + "inchi": "InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3", + "name": "Formothion", + "names": [ + "Formothion" + ] + }, + { + "compound_id": "C18989", + "inchi": "InChI=1S/C13H19ClNO3PS2/c1-4-7-13(16)15(10-21-19(20,17-2)18-3)12-9-6-5-8-11(12)14/h5-6,8-9H,4,7,10H2,1-3H3", + "name": "Fosmethilan", + "names": [ + "Fosmethilan" + ] + }, + { + "compound_id": "C18990", + "inchi": null, + "name": "PB1-F2", + "names": [ + "PB1-F2" + ] + }, + { + "compound_id": "C18991", + "inchi": null, + "name": "Protein P", + "names": [ + "Measles Phosphoprotein", + "Protein P" + ] + }, + { + "compound_id": "C18992", + "inchi": "InChI=1S/C2H2Cl2.C2H3Cl/c1-2(3)4;1-2-3/h1H2;2H,1H2", + "name": "Vinylidene chloride-vinyl chloride copolymer", + "names": [ + "Saran", + "Vinylidene chloride-vinyl chloride copolymer" + ] + }, + { + "compound_id": "C18993", + "inchi": "InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3", + "name": "2,5-Xylidine", + "names": [ + "2,5-Dimethyl-benzenamine", + "2,5-Xylidine" + ] + }, + { + "compound_id": "C18994", + "inchi": null, + "name": "Accessory protein p12I", + "names": [ + "Accessory protein p12I" + ] + }, + { + "compound_id": "C18995", + "inchi": null, + "name": "P13 protein", + "names": [ + "P13 protein" + ] + }, + { + "compound_id": "C18996", + "inchi": null, + "name": "Accessory protein p30II", + "names": [ + "Accessory protein p30II" + ] + }, + { + "compound_id": "C18997", + "inchi": null, + "name": "Protein C", + "names": [ + "Protein C" + ] + }, + { + "compound_id": "C18998", + "inchi": null, + "name": "Non-structural protein V", + "names": [ + "Non-structural protein V" + ] + }, + { + "compound_id": "C18999", + "inchi": "InChI=1S/C6H12NO3PS2/c1-3-9-11(8,10-4-2)7-6-12-5-13-6/h3-5H2,1-2H3", + "name": "Fosthietan", + "names": [ + "Fosthietan" + ] + }, + { + "compound_id": "C19000", + "inchi": "InChI=1S/C9H21O3PS3/c1-6-16(10)7-15-13(14,11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3", + "name": "IPSP", + "names": [ + "IPSP" + ] + }, + { + "compound_id": "C19001", + "inchi": "InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3", + "name": "Isazofos", + "names": [ + "Isazofos" + ] + }, + { + "compound_id": "C19002", + "inchi": "InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3", + "name": "Iodofenphos", + "names": [ + "Iodofenphos", + "Jodfenphos" + ] + }, + { + "compound_id": "C19003", + "inchi": "InChI=1S/C13H10BrCl2O3PS/c1-17-20(21,18-9-5-3-2-4-6-9)19-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3", + "name": "Leptophos", + "names": [ + "Leptophos" + ] + }, + { + "compound_id": "C19004", + "inchi": "InChI=1S/C7H13N2O4PS3/c1-4-13-6-8-9(7(10)17-6)5-16-14(15,11-2)12-3/h4-5H2,1-3H3", + "name": "Lythidathion", + "names": [ + "Lythidathion" + ] + }, + { + "compound_id": "C19005", + "inchi": "InChI=1S/C7H14NO4PS2/c1-8(7(10)11-2)6(9)5-15-13(4,14)12-3/h5H2,1-4H3", + "name": "Mecarphon", + "names": [ + "Mecarphon" + ] + }, + { + "compound_id": "C19006", + "inchi": "InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)", + "name": "Menazon", + "names": [ + "Menazon" + ] + }, + { + "compound_id": "C19007", + "inchi": "InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8+", + "name": "Mephosfolan", + "names": [ + "Mephosfolan" + ] + }, + { + "compound_id": "C19008", + "inchi": "InChI=1S/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)", + "name": "Mipafox", + "names": [ + "Mipafox" + ] + }, + { + "compound_id": "C19009", + "inchi": "InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3", + "name": "Oxydisulfoton", + "names": [ + "Oxydisulfoton" + ] + }, + { + "compound_id": "C19010", + "inchi": "InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3", + "name": "Phenkapton", + "names": [ + "Phenkapton" + ] + }, + { + "compound_id": "C19011", + "inchi": "InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3", + "name": "Phosfolan", + "names": [ + "Phosfolan" + ] + }, + { + "compound_id": "C19012", + "inchi": "InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3", + "name": "Pirimiphos-ethyl", + "names": [ + "Pirimiphos-ethyl", + "Pirimiphosethyl" + ] + }, + { + "compound_id": "C19013", + "inchi": "InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3", + "name": "Propaphos", + "names": [ + "Propaphos" + ] + }, + { + "compound_id": "C19014", + "inchi": "InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)", + "name": "Prothoate", + "names": [ + "Prothoate" + ] + }, + { + "compound_id": "C19015", + "inchi": "InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3", + "name": "Schradan", + "names": [ + "Octamethyl pyrophosphortetramide", + "Schradan" + ] + }, + { + "compound_id": "C19016", + "inchi": "InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3", + "name": "Sulprofos", + "names": [ + "Sulprofos" + ] + }, + { + "compound_id": "C19017", + "inchi": "InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3", + "name": "TEPP", + "names": [ + "TEPP", + "Tetraethyl pyrophosphate" + ] + }, + { + "compound_id": "C19018", + "inchi": "InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3", + "name": "Trichloronat", + "names": [ + "Trichloronat" + ] + }, + { + "compound_id": "C19019", + "inchi": "InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3", + "name": "Aramite", + "names": [ + "Aramite" + ] + }, + { + "compound_id": "C19020", + "inchi": "InChI=1S/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3/b17-16+", + "name": "Azothoate", + "names": [ + "Azothoate" + ] + }, + { + "compound_id": "C19021", + "inchi": "InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3", + "name": "Benzoximate", + "names": [ + "Benzoximate" + ] + }, + { + "compound_id": "C19022", + "inchi": "InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3", + "name": "Binapacryl", + "names": [ + "Binapacryl" + ] + }, + { + "compound_id": "C19023", + "inchi": "InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3", + "name": "Chlorfenethol", + "names": [ + "Chlorfenethol" + ] + }, + { + "compound_id": "C19024", + "inchi": "InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H", + "name": "Chlorfenson", + "names": [ + "Chlorfenson" + ] + }, + { + "compound_id": "C19025", + "inchi": "InChI=1S/C12H6Cl4N2S/c13-7-1-3-8(4-2-7)19-18-17-12-6-10(15)9(14)5-11(12)16/h1-6H/b18-17+", + "name": "Chlorfensulphide", + "names": [ + "Azosulfide", + "Chlorfensulphide" + ] + }, + { + "compound_id": "C19026", + "inchi": "InChI=1S/C10H13ClN2S/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)", + "name": "Chloromethiuron", + "names": [ + "Chloromethiuron" + ] + }, + { + "compound_id": "C19027", + "inchi": "InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3", + "name": "Chloropropylate", + "names": [ + "Chloropropylate" + ] + }, + { + "compound_id": "C19028", + "inchi": "InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3", + "name": "Dialifor", + "names": [ + "Dialifor" + ] + }, + { + "compound_id": "C19029", + "inchi": "InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H", + "name": "Fenazaflor", + "names": [ + "Fenazaflor", + "Tarzol" + ] + }, + { + "compound_id": "C19030", + "inchi": "InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H", + "name": "Fenson", + "names": [ + "Fenson" + ] + }, + { + "compound_id": "C19031", + "inchi": "InChI=1S/C16H15FO2/c17-10-11-19-16(18)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,10-12H2", + "name": "Fluenetil", + "names": [ + "Fluenetil" + ] + }, + { + "compound_id": "C19032", + "inchi": "InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H", + "name": "Tetrasul", + "names": [ + "Tetrasul" + ] + }, + { + "compound_id": "C19033", + "inchi": "InChI=1S/CS2/c2-1-3", + "name": "Carbon disulfide", + "names": [ + "Carbon disulfide" + ] + }, + { + "compound_id": "C19034", + "inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3", + "name": "1,2-Dichloropropane", + "names": [ + "1,2-Dichloropropane" + ] + }, + { + "compound_id": "C19035", + "inchi": "InChI=1S/C8H13N2O2P/c1-9-13(11,10-2)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,9,10,11)", + "name": "Diamidafos", + "names": [ + "Diamidafos", + "Nellite" + ] + }, + { + "compound_id": "C19036", + "inchi": "InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3", + "name": "Thionazin", + "names": [ + "Thionazin" + ] + }, + { + "compound_id": "C19037", + "inchi": "InChI=1S/C13H19ClN2/c1-4-5-8-16(3)10-15-13-7-6-12(14)9-11(13)2/h6-7,9-10H,4-5,8H2,1-3H3/b15-10+", + "name": "Chloromebuform", + "names": [ + "Chloromebuform" + ] + }, + { + "compound_id": "C19038", + "inchi": "InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2", + "name": "Dinex", + "names": [ + "Dinex" + ] + }, + { + "compound_id": "C19039", + "inchi": "InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3", + "name": "Malonoben", + "names": [ + "Malonoben" + ] + }, + { + "compound_id": "C19040", + "inchi": "InChI=1S/F6Si.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1", + "name": "Sodium hexafluorosilicate", + "names": [ + "Sodium hexafluorosilicate" + ] + }, + { + "compound_id": "C19041", + "inchi": "InChI=1S/C17H10F6N4S/c18-16(19,20)25-14-13(24-11-7-3-1-4-8-11)27(12-9-5-2-6-10-12)15(28-14)26-17(21,22)23/h1-10H/b24-13+,25-14-,26-15-", + "name": "Flubenzimine", + "names": [ + "Flubenzimine" + ] + }, + { + "compound_id": "C19042", + "inchi": "InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3/b12-8+,17-14+", + "name": "Kinoprene", + "names": [ + "Kinoprene" + ] + }, + { + "compound_id": "C19043", + "inchi": "InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2", + "name": "Allidochlor", + "names": [ + "Allidochlor" + ] + }, + { + "compound_id": "C19044", + "inchi": "InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3", + "name": "Benzoylprop-ethyl", + "names": [ + "Benzoylprop-ethyl" + ] + }, + { + "compound_id": "C19045", + "inchi": "InChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3/b7-4+", + "name": "Butenachlor", + "names": [ + "Butenachlor" + ] + }, + { + "compound_id": "C19046", + "inchi": "InChI=1S/C10H9Cl2NO/c1-6(2)10(14)13-7-3-4-8(11)9(12)5-7/h3-5H,1H2,2H3,(H,13,14)", + "name": "Chloranocryl", + "names": [ + "Chloranocryl" + ] + }, + { + "compound_id": "C19047", + "inchi": "InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)", + "name": "Isocarbamid", + "names": [ + "Isocarbamid" + ] + }, + { + "compound_id": "C19048", + "inchi": "InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)", + "name": "Quinonamid", + "names": [ + "Quinonamid" + ] + }, + { + "compound_id": "C19049", + "inchi": "InChI=1S/C10H9Cl2NO/c11-8-4-3-7(5-9(8)12)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)", + "name": "Cypromid", + "names": [ + "Cypromid" + ] + }, + { + "compound_id": "C19050", + "inchi": "InChI=1S/C15H22ClNO2/c1-11(2)9-19-10-17(14(18)8-16)15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3", + "name": "Delachlor", + "names": [ + "Delachlor" + ] + }, + { + "compound_id": "C19051", + "inchi": "InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3", + "name": "Diethatyl-ethyl", + "names": [ + "Diethatyl-ethyl" + ] + }, + { + "compound_id": "C19052", + "inchi": "InChI=1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)", + "name": "Flamprop", + "names": [ + "Flamprop" + ] + }, + { + "compound_id": "C19053", + "inchi": "InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)", + "name": "Monalide", + "names": [ + "Monalide" + ] + }, + { + "compound_id": "C19054", + "inchi": "InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3", + "name": "Perfluidone", + "names": [ + "Perfluidone" + ] + }, + { + "compound_id": "C19055", + "inchi": "InChI=1S/AsF6.K/c2-1(3,4,5,6)7;/q-1;+1", + "name": "Hexaflurate", + "names": [ + "Hexaflurate", + "Potassium hexafluoroarsenate" + ] + }, + { + "compound_id": "C19056", + "inchi": "InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)", + "name": "Chloramben", + "names": [ + "Chloramben" + ] + }, + { + "compound_id": "C19057", + "inchi": "InChI=1S/C8H5Cl3O3/c1-14-7-4(10)2-3(9)6(11)5(7)8(12)13/h2H,1H3,(H,12,13)", + "name": "Tricamba", + "names": [ + "Tricamba" + ] + }, + { + "compound_id": "C19058", + "inchi": "InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)", + "name": "Benzthiazuron", + "names": [ + "Benzthiazuron" + ] + }, + { + "compound_id": "C19059", + "inchi": "InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)", + "name": "Barban", + "names": [ + "Barban" + ] + }, + { + "compound_id": "C19060", + "inchi": "InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)", + "name": "Chlorbufam", + "names": [ + "Chlorbufam" + ] + }, + { + "compound_id": "C19061", + "inchi": "InChI=1S/C19H22N2O4/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3/h5-14H,4H2,1-3H3,(H,20,22)", + "name": "Phenisopham", + "names": [ + "Phenisopham" + ] + }, + { + "compound_id": "C19062", + "inchi": "InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)", + "name": "SWEP", + "names": [ + "SWEP" + ] + }, + { + "compound_id": "C19063", + "inchi": "InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3", + "name": "Isopropalin", + "names": [ + "Isopropalin" + ] + }, + { + "compound_id": "C19064", + "inchi": "InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3", + "name": "Nitralin", + "names": [ + "Nitralin" + ] + }, + { + "compound_id": "C19065", + "inchi": "InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3", + "name": "Profluralin", + "names": [ + "Profluralin" + ] + }, + { + "compound_id": "C19066", + "inchi": "InChI=1S/C13H9Cl2NO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3", + "name": "Chlomethoxyfen", + "names": [ + "Chlomethoxyfen" + ] + }, + { + "compound_id": "C19067", + "inchi": "InChI=1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1", + "name": "Potassium cyanate", + "names": [ + "Potassium cyanate" + ] + }, + { + "compound_id": "C19068", + "inchi": "InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3", + "name": "Medinoterb acetate", + "names": [ + "Medinoterb acetate" + ] + }, + { + "compound_id": "C19069", + "inchi": "InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H/b16-6+", + "name": "Bromofenoxim", + "names": [ + "Bromofenoxim" + ] + }, + { + "compound_id": "C19070", + "inchi": "InChI=1S/C15H13ClO4/c1-10(15(17)18)19-13-3-2-4-14(9-13)20-12-7-5-11(16)6-8-12/h2-10H,1H3,(H,17,18)", + "name": "Clofop", + "names": [ + "Clofop" + ] + }, + { + "compound_id": "C19071", + "inchi": "InChI=1S/C8H8Cl2O5S/c9-6-1-2-8(7(10)5-6)14-3-4-15-16(11,12)13/h1-2,5H,3-4H2,(H,11,12,13)", + "name": "Disul", + "names": [ + "Disul" + ] + }, + { + "compound_id": "C19072", + "inchi": "InChI=1S/C11H9Cl5O3/c1-11(15,16)10(17)19-3-2-18-9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3", + "name": "Erbon", + "names": [ + "Erbon" + ] + }, + { + "compound_id": "C19073", + "inchi": "InChI=1S/C17H16Cl2N2O4/c1-11(17(22)21-7-2-8-23-21)24-13-3-5-14(6-4-13)25-16-15(19)9-12(18)10-20-16/h3-6,9-11H,2,7-8H2,1H3", + "name": "Isoxapyrifop", + "names": [ + "Isoxapyrifop" + ] + }, + { + "compound_id": "C19074", + "inchi": "InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)", + "name": "Buturon", + "names": [ + "Buturon" + ] + }, + { + "compound_id": "C19075", + "inchi": "InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-4-3-5-14(10-12)20-13-8-6-11(16)7-9-13/h3-10H,1-2H3,(H,17,19)", + "name": "Chloroxuron", + "names": [ + "Chloroxuron" + ] + }, + { + "compound_id": "C19076", + "inchi": "InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-5-4-6-15(11-12)21-14-9-7-13(20-3)8-10-14/h4-11H,1-3H3,(H,17,19)", + "name": "Difenoxuron", + "names": [ + "Difenoxuron" + ] + }, + { + "compound_id": "C19077", + "inchi": "InChI=1S/C9H12N2O.C2HCl3O2/c1-11(2)9(12)10-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3,(H,10,12);(H,6,7)", + "name": "Fenuron-TCA", + "names": [ + "Fenuron TCA", + "Fenuron-TCA" + ] + }, + { + "compound_id": "C19078", + "inchi": null, + "name": "tRNA with a 3' cytidine", + "names": [ + "tRNA with a 3' cytidine" + ] + }, + { + "compound_id": "C19079", + "inchi": "InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m1/s1", + "name": "(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", + "names": [ + "(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", + "(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one" + ] + }, + { + "compound_id": "C19080", + "inchi": null, + "name": "tRNA with a 3' CC end", + "names": [ + "tRNA with a 3' CC", + "tRNA with a 3' CC end" + ] + }, + { + "compound_id": "C19081", + "inchi": "InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1", + "name": "(4S)-Limonene-1,2-epoxide", + "names": [ + "(4S)-Limonene-1,2-epoxide" + ] + }, + { + "compound_id": "C19082", + "inchi": "InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1", + "name": "(1R,2R,4S)-Limonene-1,2-diol", + "names": [ + "(1R,2R,4S)-Limonene-1,2-diol", + "(1R,2R,4S)-Menth-8-ene-1,2-diol" + ] + }, + { + "compound_id": "C19083", + "inchi": "InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m0/s1", + "name": "(1R,4S)-1-Hydroxy-2-oxolimonene", + "names": [ + "(1R,4S)-1-Hydroxy-2-oxolimonene" + ] + }, + { + "compound_id": "C19084", + "inchi": "InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10?/m0/s1", + "name": "(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", + "names": [ + "(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone", + "(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one" + ] + }, + { + "compound_id": "C19085", + "inchi": null, + "name": "tRNA with a 3' CCA end", + "names": [ + "tRNA with a 3' CCA end" + ] + }, + { + "compound_id": "C19086", + "inchi": "InChI=1S/C10H14N2S/c1-8-5-4-6-9(7-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)", + "name": "Methiuron", + "names": [ + "Methiuron" + ] + }, + { + "compound_id": "C19087", + "inchi": "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", + "name": "Monuron", + "names": [ + "Monuron" + ] + }, + { + "compound_id": "C19088", + "inchi": "InChI=1S/C9H11ClN2O.C2HCl3O2/c1-12(2)9(13)11-8-5-3-7(10)4-6-8;3-2(4,5)1(6)7/h3-6H,1-2H3,(H,11,13);(H,6,7)", + "name": "Monuron-TCA", + "names": [ + "Monuron TCA", + "Monuron-TCA" + ] + }, + { + "compound_id": "C19089", + "inchi": "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)", + "name": "Parafluron", + "names": [ + "Parafluron" + ] + }, + { + "compound_id": "C19090", + "inchi": "InChI=1S/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3", + "name": "Phenobenzuron", + "names": [ + "Phenobenzuron" + ] + }, + { + "compound_id": "C19091", + "inchi": "InChI=1S/C5HCl2F2NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)", + "name": "Haloxydine", + "names": [ + "Haloxydine" + ] + }, + { + "compound_id": "C19092", + "inchi": "InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)", + "name": "Ethidimuron", + "names": [ + "Ethidimuron" + ] + }, + { + "compound_id": "C19093", + "inchi": "InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)", + "name": "Thiazafluron", + "names": [ + "Thiazafluron" + ] + }, + { + "compound_id": "C19094", + "inchi": "InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-", + "name": "Diallat", + "names": [ + "Di-allate", + "Diallat" + ] + }, + { + "compound_id": "C19095", + "inchi": "InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3", + "name": "Ethiolate", + "names": [ + "Ethiolate" + ] + }, + { + "compound_id": "C19096", + "inchi": "InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3", + "name": "Sulfallate", + "names": [ + "Sulfallate" + ] + }, + { + "compound_id": "C19097", + "inchi": "InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3", + "name": "Vernolate", + "names": [ + "Vernolate" + ] + }, + { + "compound_id": "C19098", + "inchi": "InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)", + "name": "Atraton", + "names": [ + "Atraton" + ] + }, + { + "compound_id": "C19099", + "inchi": "InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)", + "name": "Aziprotryne", + "names": [ + "Aziprotryne" + ] + }, + { + "compound_id": "C19100", + "inchi": "InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)", + "name": "Desmetryn", + "names": [ + "Desmetryn" + ] + }, + { + "compound_id": "C19101", + "inchi": "InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)", + "name": "Dipropetryn", + "names": [ + "Dipropetryn" + ] + }, + { + "compound_id": "C19102", + "inchi": "InChI=1S/C7H10ClN5O2/c1-2-9-6-11-5(8)12-7(13-6)10-3-4(14)15/h2-3H2,1H3,(H,14,15)(H2,9,10,11,12,13)", + "name": "Eglinazine", + "names": [ + "Eglinazine" + ] + }, + { + "compound_id": "C19103", + "inchi": "InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)", + "name": "Ipazine", + "names": [ + "Ipazine" + ] + }, + { + "compound_id": "C19104", + "inchi": "InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)", + "name": "Methoprotryne", + "names": [ + "Methoprotryne" + ] + }, + { + "compound_id": "C19105", + "inchi": "InChI=1S/C8H12ClN5O2/c1-4(2)11-8-13-6(9)12-7(14-8)10-3-5(15)16/h4H,3H2,1-2H3,(H,15,16)(H2,10,11,12,13,14)", + "name": "Proglinazine", + "names": [ + "Proglinazine" + ] + }, + { + "compound_id": "C19106", + "inchi": "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)", + "name": "Secbumeton", + "names": [ + "Secbumeton" + ] + }, + { + "compound_id": "C19107", + "inchi": "InChI=1S/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3/b13-7+", + "name": "Isomethiozin", + "names": [ + "Isomethiozin" + ] + }, + { + "compound_id": "C19108", + "inchi": "InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)", + "name": "Isocil", + "names": [ + "Isocil" + ] + }, + { + "compound_id": "C19109", + "inchi": "InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)", + "name": "Cycluron", + "names": [ + "Cycluron" + ] + }, + { + "compound_id": "C19110", + "inchi": "InChI=1S/C13H22N2O/c1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h8-12H,3-7H2,1-2H3,(H,14,16)", + "name": "Isonoruron", + "names": [ + "Isonoruron" + ] + }, + { + "compound_id": "C19111", + "inchi": "InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)", + "name": "Noruron", + "names": [ + "Noruron" + ] + }, + { + "compound_id": "C19112", + "inchi": "InChI=1S/C10H16N4O2S/c1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16/h6,15H,5H2,1-4H3", + "name": "Buthidazole", + "names": [ + "Buthidazole" + ] + }, + { + "compound_id": "C19113", + "inchi": "InChI=1S/CN2.Ca/c2-1-3;/q-2;+2", + "name": "Calcium carbimide", + "names": [ + "Calcium carbimide" + ] + }, + { + "compound_id": "C19114", + "inchi": "InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)", + "name": "Chlorfenac", + "names": [ + "Chlorfenac" + ] + }, + { + "compound_id": "C19115", + "inchi": "InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3", + "name": "Chlorfenprop-methyl", + "names": [ + "Chlorfenprop-methyl" + ] + }, + { + "compound_id": "C19116", + "inchi": "InChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)14-11-7-4-8-12-13-11/h2-8H,1H3", + "name": "Credazine", + "names": [ + "Credazine" + ] + }, + { + "compound_id": "C19117", + "inchi": "InChI=1S/C10H7N3O/c11-6-7-14-13-10(8-12)9-4-2-1-3-5-9/h1-5H,7H2", + "name": "Cyometrinil", + "names": [ + "Cyometrinil" + ] + }, + { + "compound_id": "C19118", + "inchi": "InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3", + "name": "Dimexano", + "names": [ + "Dimexano" + ] + }, + { + "compound_id": "C19119", + "inchi": "InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3", + "name": "Dinoseb acetate", + "names": [ + "Dinoseb acetate" + ] + }, + { + "compound_id": "C19120", + "inchi": "InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3", + "name": "Dixanthogen", + "names": [ + "Dixanthogen", + "EXD" + ] + }, + { + "compound_id": "C19121", + "inchi": "InChI=1S/C16H12ClNO4S/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)", + "name": "Fenthiaprop", + "names": [ + "Fenthiaprop" + ] + }, + { + "compound_id": "C19122", + "inchi": "InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9", + "name": "Hexachloroacetone", + "names": [ + "Hexachloroacetone" + ] + }, + { + "compound_id": "C19123", + "inchi": "InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3", + "name": "Methazole", + "names": [ + "Methazole" + ] + }, + { + "compound_id": "C19124", + "inchi": "InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3", + "name": "Methoxyphenone", + "names": [ + "4-Methoxy-3,3'-dimethylbenzophenone", + "Methoxyphenone" + ] + }, + { + "compound_id": "C19125", + "inchi": "InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H", + "name": "Naphthalic anhydride", + "names": [ + "1,8-Naphthalic anhydride", + "Naphthalic anhydride" + ] + }, + { + "compound_id": "C19126", + "inchi": "InChI=1S/C12H8BrN3O4/c13-9-8(15-10(17)12(19)20)6-14-16(11(9)18)7-4-2-1-3-5-7/h1-6H,(H,15,17)(H,19,20)", + "name": "Oxapyrazon", + "names": [ + "Oxapyrazon" + ] + }, + { + "compound_id": "C19127", + "inchi": "InChI=1S/C4H8OS2/c1-3(2)5-4(6)7/h3H,1-2H3,(H,6,7)", + "name": "Proxan", + "names": [ + "Proxan" + ] + }, + { + "compound_id": "C19128", + "inchi": "InChI=1S/C6H8N2O5/c9-3-1-6(13,2-4(10)11)5(12)8-7-3/h13H,1-2H2,(H,7,9)(H,8,12)(H,10,11)", + "name": "Pydanon", + "names": [ + "Hexahydro-4-hydroxy-3,6-dioxopyridazine-4-acetic acid", + "Pydanon" + ] + }, + { + "compound_id": "C19129", + "inchi": "InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)", + "name": "Terbucarb", + "names": [ + "Terbucarb" + ] + }, + { + "compound_id": "C19130", + "inchi": "InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2", + "name": "Tridiphane", + "names": [ + "Tridiphane" + ] + }, + { + "compound_id": "C19131", + "inchi": "InChI=1S/C11H25ClO6Si/c1-13-5-8-16-19(11-4-12,17-9-6-14-2)18-10-7-15-3/h4-11H2,1-3H3", + "name": "Etacelasil", + "names": [ + "Alsol", + "Etacelasil" + ] + }, + { + "compound_id": "C19132", + "inchi": "InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)", + "name": "Glyphosine", + "names": [ + "Glyphosine" + ] + }, + { + "compound_id": "C19133", + "inchi": "InChI=1S/C18H36N/c1-5-13-19(14-7-6-8-15-19)16-12-18(4)11-9-10-17(2)3/h5,17-18H,1,6-16H2,2-4H3/q+1", + "name": "Piproctanyl", + "names": [ + "Piproctanyl" + ] + }, + { + "compound_id": "C19134", + "inchi": "InChI=1S/C13H19NO/c1-5-8-15-14-11-9-10-6-7-13(11,4)12(10,2)3/h1,10H,6-9H2,2-4H3/b14-11+", + "name": "Heptopargil", + "names": [ + "Heptopargil" + ] + }, + { + "compound_id": "C19135", + "inchi": "InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+", + "name": "Triapenthenol", + "names": [ + "Triapenthenol" + ] + }, + { + "compound_id": "C19136", + "inchi": "InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)", + "name": "ANTU", + "names": [ + "ANTU", + "alpha-Naphthylthiourea" + ] + }, + { + "compound_id": "C19137", + "inchi": "InChI=1S/C3H10N6S2/c4-2(10)8-6-1-7-9-3(5)11/h6-7H,1H2,(H3,4,8,10)(H3,5,9,11)", + "name": "Bisthiosemi", + "names": [ + "Bisthiosemi" + ] + }, + { + "compound_id": "C19138", + "inchi": "InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3", + "name": "Crimidine", + "names": [ + "Crimidine" + ] + }, + { + "compound_id": "C19139", + "inchi": "InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26-", + "name": "Norbormide", + "names": [ + "Norbormide" + ] + }, + { + "compound_id": "C19140", + "inchi": "InChI=1S/C14H13Cl2N2O2PS/c1-10(17)18-21(22,19-13-6-2-11(15)3-7-13)20-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18,22)", + "name": "Phosacetim", + "names": [ + "Phosacetim" + ] + }, + { + "compound_id": "C19141", + "inchi": "InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3", + "name": "Pindone", + "names": [ + "Pindone" + ] + }, + { + "compound_id": "C19142", + "inchi": "InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3", + "name": "Butopyronoxyl", + "names": [ + "Butopyronoxyl" + ] + }, + { + "compound_id": "C19143", + "inchi": "InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3", + "name": "Dibutyl succinate", + "names": [ + "Dibutyl succinate" + ] + }, + { + "compound_id": "C19144", + "inchi": "InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2", + "name": "Trifenmorph", + "names": [ + "4-Tritylmorpholine", + "Trifenmorph" + ] + }, + { + "compound_id": "C19145", + "inchi": "InChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3", + "name": "Propyl isome", + "names": [ + "1,2,3,4-Tetrahydro-3-methyl-6,7-methylenebisoxynaphthalene-1,2-dicarboxylic acid dipropyl", + "Propyl isome" + ] + }, + { + "compound_id": "C19146", + "inchi": "InChI=1S/C15H22O6/c1-3-16-6-7-17-8-9-18-12(2)21-13-4-5-14-15(10-13)20-11-19-14/h4-5,10,12H,3,6-9,11H2,1-2H3", + "name": "Sesamex", + "names": [ + "Sesamex" + ] + }, + { + "compound_id": "C19147", + "inchi": "InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3", + "name": "Piperonyl sulfoxide", + "names": [ + "Piperonyl sulfoxide" + ] + }, + { + "compound_id": "C19148", + "inchi": "InChI=1S/C14H13Cl2O2PS/c1-2-17-19(20,12-6-4-3-5-7-12)18-14-9-8-11(15)10-13(14)16/h3-10H,2H2,1H3", + "name": "S-Seven", + "names": [ + "EPBP", + "O-Ethyl O-2,4-dichlorophenyl thionobenzenephosphonate", + "S-Seven" + ] + }, + { + "compound_id": "C19149", + "inchi": "InChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2", + "name": "TCA-ethadyl", + "names": [ + "TCA-ethadyl" + ] + }, + { + "compound_id": "C19150", + "inchi": "InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)", + "name": "Diethyldithiocarbamic acid", + "names": [ + "Diethyldithiocarbamic acid" + ] + }, + { + "compound_id": "C19151", + "inchi": "InChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,41-43,48H,4-9,12-13H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,46,47)(H,51,52)(H,53,54)(H,55,56)(H,58,59)(H,39,50,57)/t14-,18-,19-,20-,22-,23+,27-/m0/s1", + "name": "Coenzyme F420-3", + "names": [ + "Coenzyme F420-3" + ] + }, + { + "compound_id": "C19152", + "inchi": "InChI=1S/C24H29N4O15P/c1-10(21(35)25-14(23(37)38)4-5-18(32)33)43-44(40,41)42-9-17(31)19(34)16(30)8-28-15-7-12(29)3-2-11(15)6-13-20(28)26-24(39)27-22(13)36/h2-3,6-7,10,14,16-17,19,29-31,34H,4-5,8-9H2,1H3,(H,25,35)(H,32,33)(H,37,38)(H,40,41)(H,27,36,39)/t10-,14-,16-,17+,19-/m0/s1", + "name": "Coenzyme F420-1", + "names": [ + "Coenzyme F420-1" + ] + }, + { + "compound_id": "C19153", + "inchi": "InChI=1S/C19H22N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,8,13-15,23-26H,6-7H2,1H3,(H,28,29)(H,31,32)(H,21,27,30)/t8-,13-,14+,15-/m0/s1", + "name": "Coenzyme F420-0", + "names": [ + "Coenzyme F420-0" + ] + }, + { + "compound_id": "C19154", + "inchi": "InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1", + "name": "7,8-Didemethyl-8-hydroxy-5-deazariboflavin", + "names": [ + "7,8-Didemethyl-8-hydroxy-5-deazariboflavin" + ] + }, + { + "compound_id": "C19155", + "inchi": "InChI=1S/C13H19N5O13P2/c1-4(12(22)23)30-33(26,27)31-32(24,25)28-2-5-7(19)8(20)11(29-5)18-3-15-6-9(18)16-13(14)17-10(6)21/h3-5,7-8,11,19-20H,2H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,14,16,17,21)/t4-,5+,7+,8+,11+/m0/s1", + "name": "(2S)-Lactyl-2-diphospho-5'-guanosine", + "names": [ + "(2S)-Lactyl-2-diphospho-5'-guanosine" + ] + }, + { + "compound_id": "C19156", + "inchi": "InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1", + "name": "(2S)-2-Phospholactate", + "names": [ + "(2S)-2-Phospholactate" + ] + }, + { + "compound_id": "C19157", + "inchi": "InChI=1S/Th/i1+0", + "name": "Thorium-232", + "names": [ + "Thorium-232" + ] + }, + { + "compound_id": "C19158", + "inchi": "InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2", + "name": "Bis(chloromethyl) ether", + "names": [ + "BCME", + "Bis(chloromethyl) ether" + ] + }, + { + "compound_id": "C19159", + "inchi": "InChI=1S/Pu", + "name": "Plutonium", + "names": [ + "Plutonium" + ] + }, + { + "compound_id": "C19160", + "inchi": "InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3", + "name": "Chloromethyl methyl ether", + "names": [ + "Chloromethyl methyl ether" + ] + }, + { + "compound_id": "C19161", + "inchi": "InChI=1S/Cr/q+6", + "name": "Chromium (VI)", + "names": [ + "Chromium (VI)", + "Chromium hexavalent ion", + "Chromium ion (6+)" + ] + }, + { + "compound_id": "C19162", + "inchi": "InChI=1/P/i1+1", + "name": "Phosphorus-32", + "names": [ + "Phosphorus-32" + ] + }, + { + "compound_id": "C19163", + "inchi": null, + "name": "Erionite", + "names": [ + "Erionite" + ] + }, + { + "compound_id": "C19164", + "inchi": "InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2", + "name": "Sulfur mustard", + "names": [ + "Iprit", + "Mustard gas", + "Sulfur mustard" + ] + }, + { + "compound_id": "C19165", + "inchi": "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H", + "name": "Benzal chloride", + "names": [ + "Benzal chloride" + ] + }, + { + "compound_id": "C19166", + "inchi": "InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H", + "name": "Benzotrichloride", + "names": [ + "Benzotrichloride" + ] + }, + { + "compound_id": "C19167", + "inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2", + "name": "Benzyl chloride", + "names": [ + "Benzyl chloride" + ] + }, + { + "compound_id": "C19168", + "inchi": "InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H", + "name": "Benzoyl chloride", + "names": [ + "Benzoyl chloride" + ] + }, + { + "compound_id": "C19169", + "inchi": "InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3", + "name": "4-Chloro-ortho-toluidine", + "names": [ + "2-Amino-5-chlorotoluene", + "4-Chloro-o-toluidine", + "4-Chloro-ortho-toluidine" + ] + }, + { + "compound_id": "C19170", + "inchi": "InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)/t5-,6+,7+,8+/m0/s1", + "name": "Chlorozotocin", + "names": [ + "Chlorozotocin" + ] + }, + { + "compound_id": "C19171", + "inchi": "InChI=1S/Co", + "name": "Cobalt", + "names": [ + "Cobalt" + ] + }, + { + "compound_id": "C19172", + "inchi": null, + "name": "Coal tar creosote", + "names": [ + "Coal tar creosote" + ] + }, + { + "compound_id": "C19173", + "inchi": "InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H", + "name": "Cyclopenta[cd]pyrene", + "names": [ + "Cyclopenta[cd]pyrene" + ] + }, + { + "compound_id": "C19174", + "inchi": "InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H", + "name": "Dibenzo[a,l]pyrene", + "names": [ + "1,2,9,10-Dibenzopyrene", + "Dibenzo[a,l]pyrene", + "Dibenzo[def,p]chrysene" + ] + }, + { + "compound_id": "C19175", + "inchi": "InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3", + "name": "Dimethylcarbamoyl chloride", + "names": [ + "Dimethylcarbamoyl chloride" + ] + }, + { + "compound_id": "C19176", + "inchi": "InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3", + "name": "1,2-Dimethylhydrazine", + "names": [ + "1,2-Dimethylhydrazine" + ] + }, + { + "compound_id": "C19177", + "inchi": "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3", + "name": "Dimethyl sulfate", + "names": [ + "Dimethyl sulfate" + ] + }, + { + "compound_id": "C19178", + "inchi": "InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)", + "name": "N-Nitroso-N-ethylurea", + "names": [ + "N-Nitroso-N-ethylurea" + ] + }, + { + "compound_id": "C19179", + "inchi": null, + "name": "Indium phosphide", + "names": [ + "Indium phosphide" + ] + }, + { + "compound_id": "C19180", + "inchi": "InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)", + "name": "2-Amino-3-methylimidazo[4,5-f]quinoline", + "names": [ + "2-Amino-3-methylimidazo[4,5-f]quinoline", + "IQ" + ] + }, + { + "compound_id": "C19181", + "inchi": "InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3", + "name": "Methyl methanesulfonate", + "names": [ + "MMS", + "Methyl methanesulfonate" + ] + }, + { + "compound_id": "C19182", + "inchi": "InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2", + "name": "Tris(2,3-dibromopropyl) phosphate", + "names": [ + "Tris(2,3-dibromopropyl) phosphate" + ] + }, + { + "compound_id": "C19183", + "inchi": null, + "name": "Tungsten carbide", + "names": [ + "Tungsten carbide", + "WC" + ] + }, + { + "compound_id": "C19184", + "inchi": "InChI=1S/C2H3Br/c1-2-3/h2H,1H2", + "name": "Vinyl bromide", + "names": [ + "Vinyl bromide" + ] + }, + { + "compound_id": "C19185", + "inchi": "InChI=1S/C2H3F/c1-2-3/h2H,1H2", + "name": "Vinyl fluoride", + "names": [ + "Vinyl fluoride" + ] + }, + { + "compound_id": "C19186", + "inchi": "InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)", + "name": "2-Amino-9H-pyrido[2,3-b]indole", + "names": [ + "2-Amino-9H-pyrido[2,3-b]indole", + "2-Amino-alpha-carboline", + "A-alpha-C" + ] + }, + { + "compound_id": "C19187", + "inchi": "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+", + "name": "para-Aminoazobenzene", + "names": [ + "4-Aminoazobenzene", + "Aniline yellow", + "para-Aminoazobenzene" + ] + }, + { + "compound_id": "C19188", + "inchi": "InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16+", + "name": "ortho-Aminoazotoluene", + "names": [ + "C.I. Solvent Yellow 3", + "ortho-Aminoazotoluene" + ] + }, + { + "compound_id": "C19189", + "inchi": "InChI=1S/C6H4N4O3S/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)", + "name": "2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole", + "names": [ + "2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole", + "Triafur" + ] + }, + { + "compound_id": "C19190", + "inchi": "InChI=1S/C56H106O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(57)65-43-45-49(59)51(61)53(63)55(67-45)69-56-54(64)52(62)50(60)46(68-56)44-66-48(58)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-56,59-64H,3-44H2,1-2H3/t45-,46-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1", + "name": "Trehalose-6,6'-dibehenate", + "names": [ + "Trehalose-6,6'-dibehenate" + ] + }, + { + "compound_id": "C19191", + "inchi": "InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3", + "name": "ortho-Anisidine", + "names": [ + "o-Anisidine", + "ortho-Anisidine" + ] + }, + { + "compound_id": "C19192", + "inchi": null, + "name": "Antimony trioxide", + "names": [ + "Antimony trioxide" + ] + }, + { + "compound_id": "C19193", + "inchi": "InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3", + "name": "Auramine", + "names": [ + "Auramine" + ] + }, + { + "compound_id": "C19194", + "inchi": "InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1", + "name": "Azaserine", + "names": [ + "Azaserine" + ] + }, + { + "compound_id": "C19195", + "inchi": "InChI=1S/C20H12/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-12H", + "name": "Benz[j]aceanthrylene", + "names": [ + "Benz[j]aceanthrylene" + ] + }, + { + "compound_id": "C19196", + "inchi": "InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H", + "name": "Benzo[j]fluoranthene", + "names": [ + "Benzo[j]fluoranthene" + ] + }, + { + "compound_id": "C19197", + "inchi": "InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H", + "name": "Benzo[c]phenanthrene", + "names": [ + "3,4-Benzphenanthrene", + "Benzo[c]phenanthrene" + ] + }, + { + "compound_id": "C19198", + "inchi": "InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-10-24-37(25-11-29)49(43,44)45)35-20-14-32(15-21-35)39(31-12-18-34(19-13-31)40(3)4)33-16-22-36(23-17-33)42(6-2)28-30-8-7-9-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1", + "name": "Benzyl violet 4B", + "names": [ + "Benzyl Violet", + "Benzyl violet 4B" + ] + }, + { + "compound_id": "C19199", + "inchi": "InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2", + "name": "2,2-Bis(bromomethyl)propane-1,3-diol", + "names": [ + "2,2-Bis(bromomethyl)propane-1,3-diol", + "Pentaerythritol dibromide" + ] + }, + { + "compound_id": "C19200", + "inchi": null, + "name": "Bitumens", + "names": [ + "Asphalt", + "Bitumens" + ] + }, + { + "compound_id": "C19201", + "inchi": "InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3", + "name": "beta-Butyrolactone", + "names": [ + "beta-Butyrolactone" + ] + }, + { + "compound_id": "C19202", + "inchi": null, + "name": "Carbon black", + "names": [ + "Carbon black" + ] + }, + { + "compound_id": "C19203", + "inchi": null, + "name": "Poligeenan", + "names": [ + "Carrageenan, degraded", + "Poligeenan" + ] + }, + { + "compound_id": "C19204", + "inchi": "InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)", + "name": "Chlorendic acid", + "names": [ + "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid", + "Chlorendic acid" + ] + }, + { + "compound_id": "C19205", + "inchi": "InChI=1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H", + "name": "3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone", + "names": [ + "3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone" + ] + }, + { + "compound_id": "C19206", + "inchi": "InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3", + "name": "1-Chloro-2-methylpropene", + "names": [ + "1-Chloro-2-methyl-1-propene", + "1-Chloro-2-methylpropene" + ] + }, + { + "compound_id": "C19207", + "inchi": "InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2", + "name": "4-Chloro-ortho-phenylenediamine", + "names": [ + "4-Chloro-1,2-benzenediamine", + "4-Chloro-ortho-phenylenediamine" + ] + }, + { + "compound_id": "C19208", + "inchi": "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2", + "name": "Chloroprene", + "names": [ + "2-Chloro-1,3-butadiene", + "Chloroprene" + ] + }, + { + "compound_id": "C19209", + "inchi": "InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40-;;", + "name": "CI Acid red 114", + "names": [ + "CI Acid red 114" + ] + }, + { + "compound_id": "C19210", + "inchi": "InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H", + "name": "CI Basic red 9", + "names": [ + "CI Basic red 9" + ] + }, + { + "compound_id": "C19211", + "inchi": "InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2", + "name": "1-Amino-2,4-dibromoanthraquinone", + "names": [ + "1-Amino-2,4-dibromoanthraquinone" + ] + }, + { + "compound_id": "C19212", + "inchi": "InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)", + "name": "Bromochloroacetic acid", + "names": [ + "Bromochloroacetic acid" + ] + }, + { + "compound_id": "C19213", + "inchi": "InChI=1/C34H28N6O16S4.4Na/c1-55-25-6-4-15(9-24(25)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42)16-3-5-23(26(10-16)56-2)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/b39-37+,40-38+;;;;/f/h43,46,49,52H;;;;", + "name": "C.I. Direct blue 15", + "names": [ + "C.I. Direct blue 15" + ] + }, + { + "compound_id": "C19214", + "inchi": "InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3/b20-19+", + "name": "Citrus Red No.2", + "names": [ + "Citrus Red 2", + "Citrus Red No.2" + ] + }, + { + "compound_id": "C19215", + "inchi": "InChI=1S/Co.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2", + "name": "Cobalt sulfate", + "names": [ + "Cobalt sulfate", + "Cobalt(II) sulfate" + ] + }, + { + "compound_id": "C19216", + "inchi": "InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3", + "name": "para-Cresidine", + "names": [ + "p-Cresidine", + "para-Cresidine" + ] + }, + { + "compound_id": "C19217", + "inchi": "InChI=1S/C16H16N2O2/c1-11(19)17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)", + "name": "N,N'-Diacetylbenzidine", + "names": [ + "4,4'-Diacetylbenzidine", + "N,N'-Diacetylbenzidine" + ] + }, + { + "compound_id": "C19218", + "inchi": "InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3", + "name": "2,4-Diaminoanisole", + "names": [ + "2,4-Diaminoanisole" + ] + }, + { + "compound_id": "C19219", + "inchi": "InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H", + "name": "Dibenz[a,h]acridine", + "names": [ + "Dibenz[a,h]acridine" + ] + }, + { + "compound_id": "C19220", + "inchi": "InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H", + "name": "Dibenz[a,j]acridine", + "names": [ + "Dibenz[a,j]acridine" + ] + }, + { + "compound_id": "C19221", + "inchi": "InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H", + "name": "7H-Dibenzo[c,g]carbazole", + "names": [ + "7H-Dibenzo[c,g]carbazole" + ] + }, + { + "compound_id": "C19222", + "inchi": "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H", + "name": "Dibenzo[a,h]pyrene", + "names": [ + "3,4:8,9-Dibenzopyrene", + "Dibenzo[a,h]pyrene" + ] + }, + { + "compound_id": "C19223", + "inchi": "InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H", + "name": "Dibenzo[a,i]pyrene", + "names": [ + "Dibenzo[a,i]pyrene" + ] + }, + { + "compound_id": "C19224", + "inchi": "InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2", + "name": "2,3-Dibromo-1-propanol", + "names": [ + "2,3-Dibromo-1-propanol", + "2,3-Dibromopropanol" + ] + }, + { + "compound_id": "C19225", + "inchi": "InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2", + "name": "3,3'-Dichlorobenzidine", + "names": [ + "3,3'-Dichlorobenzidine" + ] + }, + { + "compound_id": "C19226", + "inchi": "InChI=1S/C12H10Cl2N2O/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6H,15-16H2", + "name": "3,3'-Dichloro-4,4'-diaminodiphenyl ether", + "names": [ + "3,3'-Dichloro-4,4'-diaminodiphenyl ether" + ] + }, + { + "compound_id": "C19227", + "inchi": "InChI=1S/C4H12N2/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3", + "name": "1,2-Diethylhydrazine", + "names": [ + "1,2-Diethylhydrazine" + ] + }, + { + "compound_id": "C19228", + "inchi": "InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2", + "name": "Diglycidyl resorcinol ether", + "names": [ + "Diglycidyl resorcinol ether" + ] + }, + { + "compound_id": "C19229", + "inchi": "InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3", + "name": "Dihydrosafrole", + "names": [ + "1,2-(Methylenedioxy)-4-propylbenzene", + "Dihydrosafrole" + ] + }, + { + "compound_id": "C19230", + "inchi": "InChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3", + "name": "Diisopropyl sulfate", + "names": [ + "Diisopropyl sulfate" + ] + }, + { + "compound_id": "C19231", + "inchi": "InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3", + "name": "3,3'-Dimethoxybenzidine", + "names": [ + "3,3'-Dimethoxybenzidine", + "ortho-Dianisidine" + ] + }, + { + "compound_id": "C19232", + "inchi": "InChI=1S/C11H11N5O4/c1-15(2)7-12-11-14-13-9(20-11)5-3-8-4-6-10(19-8)16(17)18/h3-7H,1-2H3/b5-3+,12-7+", + "name": "trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)-vinyl]-1,3,4-oxadiazole", + "names": [ + "N,N-dimethyl-N'-(5-(2-(5-nitro-2-furyl)vinyl)-1,3,4-oxadiazol-2-yl)-Formamidine", + "trans-2-[(Dimethylamino)methylimino]-5-[2-(5-nitro-2- furyl)-vinyl]-1,3,4-oxadiazole" + ] + }, + { + "compound_id": "C19233", + "inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3", + "name": "1,1-Dimethylhydrazine", + "names": [ + "1,1-Dimethylhydrazine" + ] + }, + { + "compound_id": "C19234", + "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-8-7-10-9-3-2-6-14(18(21)22)16(9)12-5-1-4-11(13)15(10)12/h1-8H", + "name": "3,7-Dinitrofluoranthene", + "names": [ + "3,7-Dinitrofluoranthene" + ] + }, + { + "compound_id": "C19235", + "inchi": "InChI=1S/C16H8N2O4/c19-17(20)9-4-5-10-11-2-1-3-13-15(18(21)22)7-6-12(16(11)13)14(10)8-9/h1-8H", + "name": "3,9-Dinitrofluoranthene", + "names": [ + "3,9-Dinitrofluoranthene" + ] + }, + { + "compound_id": "C19236", + "inchi": "InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2", + "name": "Disperse Blue 1", + "names": [ + "1,4,5,8-Tetraamino-9,10-anthracenedione", + "Disperse Blue 1" + ] + }, + { + "compound_id": "C19237", + "inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3", + "name": "1,2-Epoxybutane", + "names": [ + "1,2-Epoxybutane", + "1-Butene oxide" + ] + }, + { + "compound_id": "C19238", + "inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3", + "name": "Ethyl acrylate", + "names": [ + "Ethyl acrylate" + ] + }, + { + "compound_id": "C19239", + "inchi": "InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3", + "name": "Ethyl methanesulfonate", + "names": [ + "Ethyl methanesulfonate" + ] + }, + { + "compound_id": "C19240", + "inchi": "InChI=1S/C8H6N4O4S/c13-4-9-11-8-10-5(3-17-8)6-1-2-7(16-6)12(14)15/h1-4H,(H,9,13)(H,10,11)", + "name": "Nifurthiazole", + "names": [ + "2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole", + "Nifurthiazole" + ] + }, + { + "compound_id": "C19241", + "inchi": "InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22-,23-,24+,25+,26-,27-,32+/m0/s1", + "name": "Fumonisin B1", + "names": [ + "Fumonisin B1" + ] + }, + { + "compound_id": "C19242", + "inchi": "InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1", + "name": "Fumonisin B2", + "names": [ + "Fumonisin B2" + ] + }, + { + "compound_id": "C19243", + "inchi": "InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12+,15-13+,16-9+,17-6+/t20-,22-,23-/m0/s1", + "name": "Fusarin C", + "names": [ + "Fusarin C" + ] + }, + { + "compound_id": "C19244", + "inchi": "InChI=1S/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14)", + "name": "Glu-P-1", + "names": [ + "2-Amino-6-methyldipyrid[1,2-a:3',2'-d]imidazole", + "Glu-P-1" + ] + }, + { + "compound_id": "C19245", + "inchi": "InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)", + "name": "Glu-P-2", + "names": [ + "2-Aminodipyrido[1,2-a:3',2'-d]imidazole", + "Glu-P-2" + ] + }, + { + "compound_id": "C19246", + "inchi": "InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2", + "name": "Glycidaldehyde", + "names": [ + "2-Oxiranecarboxaldehyde", + "Glycidaldehyde" + ] + }, + { + "compound_id": "C19247", + "inchi": "InChI=1S/C11H17N3O4/c1-12-10-3-2-9(8-11(10)14(17)18)13(4-6-15)5-7-16/h2-3,8,12,15-16H,4-7H2,1H3", + "name": "HC Blue No.1", + "names": [ + "2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bis-Ethanol", + "HC Blue No.1" + ] + }, + { + "compound_id": "C19248", + "inchi": "InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8", + "name": "Hexachloroethane", + "names": [ + "Hexachloroethane" + ] + }, + { + "compound_id": "C19249", + "inchi": "InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+", + "name": "2,4-Hexadienal", + "names": [ + "(E,E)-2,4-Hexadienal", + "2,4-Hexadienal" + ] + }, + { + "compound_id": "C19250", + "inchi": "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3", + "name": "Hexamethylphosphoramide", + "names": [ + "HMPA", + "Hexamethylphosphoramide" + ] + }, + { + "compound_id": "C19251", + "inchi": "InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H", + "name": "Indeno[1,2,3-cd]pyrene", + "names": [ + "Indeno[1,2,3-cd]pyrene" + ] + }, + { + "compound_id": "C19252", + "inchi": "InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21H,22-23H2,1H3;1H/b20-14-,21-17?;", + "name": "Magenta", + "names": [ + "Fuchsin", + "Magenta", + "Rosaniline hydrochloride" + ] + }, + { + "compound_id": "C19253", + "inchi": "InChI=1S/C12H11N3/c1-7-6-9-8-4-2-3-5-10(8)14-12(9)15-11(7)13/h2-6H,1H3,(H3,13,14,15)", + "name": "2-Amino-3-methyl-9H-pyrido[2,3-b]indole", + "names": [ + "2-Amino-3-methyl-9H-pyrido[2,3-b]indole", + "MeA-alpha-C" + ] + }, + { + "compound_id": "C19254", + "inchi": "InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15)", + "name": "MeIQ", + "names": [ + "2-Amino-3,4-dimethylimidazo[4,5-f]quinoline", + "MeIQ" + ] + }, + { + "compound_id": "C19255", + "inchi": "InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)", + "name": "MeIQx", + "names": [ + "2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline", + "8-Methyl-IQX", + "MeIQx" + ] + }, + { + "compound_id": "C19256", + "inchi": "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)", + "name": "Merphalan", + "names": [ + "Merphalan", + "Sarcolysin" + ] + }, + { + "compound_id": "C19257", + "inchi": "InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3", + "name": "2-Methylaziridine", + "names": [ + "2-Methylaziridine", + "Propyleneimine" + ] + }, + { + "compound_id": "C19258", + "inchi": "InChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3/b6-5-", + "name": "Methylazoxymethanol acetate", + "names": [ + "Methylazoxymethanol acetate" + ] + }, + { + "compound_id": "C19259", + "inchi": "InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3", + "name": "5-Methylchrysene", + "names": [ + "5-Methylchrysene" + ] + }, + { + "compound_id": "C19260", + "inchi": "InChI=1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3", + "name": "4,4'-Methylene bis(2-methylaniline)", + "names": [ + "4,4'-Methylene bis(2-methylaniline)" + ] + }, + { + "compound_id": "C19261", + "inchi": "InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)", + "name": "2-Methylimidazole", + "names": [ + "2-Methylimidazole" + ] + }, + { + "compound_id": "C19262", + "inchi": "InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)", + "name": "4-Methylimidazole", + "names": [ + "4-Methylimidazole" + ] + }, + { + "compound_id": "C19263", + "inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3", + "name": "Methyl isobutyl ketone", + "names": [ + "Methyl isobutyl ketone" + ] + }, + { + "compound_id": "C19264", + "inchi": "InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3", + "name": "2-Methyl-1-nitroanthraquinone", + "names": [ + "2-Methyl-1-nitroanthraquinone" + ] + }, + { + "compound_id": "C19265", + "inchi": "InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)", + "name": "Methylthiouracil", + "names": [ + "Methylthiouracil" + ] + }, + { + "compound_id": "C19266", + "inchi": "InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3", + "name": "4,4'-Bis(dimethylamino)benzophenone", + "names": [ + "4,4'-Bis(dimethylamino)benzophenone", + "Michler's ketone" + ] + }, + { + "compound_id": "C19267", + "inchi": "InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+/t11-/m0/s1", + "name": "Levofuraltadone", + "names": [ + "5-(Morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]-2- oxazolidinone", + "Levofuraltadone" + ] + }, + { + "compound_id": "C19268", + "inchi": "InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)", + "name": "Niridazole", + "names": [ + "Niridazole" + ] + }, + { + "compound_id": "C19269", + "inchi": "InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2", + "name": "5-Nitroacenaphthene", + "names": [ + "5-Nitroacenaphthene" + ] + }, + { + "compound_id": "C19270", + "inchi": "InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3", + "name": "2-Nitroanisole", + "names": [ + "2-Nitroanisole", + "o-Nitroanisole" + ] + }, + { + "compound_id": "C19271", + "inchi": "InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H", + "name": "6-Nitrochrysene", + "names": [ + "6-Nitrochrysene" + ] + }, + { + "compound_id": "C19272", + "inchi": "InChI=1S/C8H8N4O4/c13-8-9-3-4-11(8)10-5-6-1-2-7(16-6)12(14)15/h1-2,5H,3-4H2,(H,9,13)/b10-5+", + "name": "Nifuradene", + "names": [ + "1-[(5-Nitrofurfurylidene)amino]-2-imidazolidinone", + "Nifuradene" + ] + }, + { + "compound_id": "C19273", + "inchi": "InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)", + "name": "N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide", + "names": [ + "Furothiazole", + "N-[4-(5-Nitro-2-furyl)-2-thiazolyl]acetamide" + ] + }, + { + "compound_id": "C19274", + "inchi": "InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3", + "name": "Nitrogen mustard N-oxide", + "names": [ + "Nitrogen mustard N-oxide" + ] + }, + { + "compound_id": "C19275", + "inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3", + "name": "Nitromethane", + "names": [ + "Nitromethane" + ] + }, + { + "compound_id": "C19276", + "inchi": "InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H", + "name": "4-Nitropyrene", + "names": [ + "4-Nitropyrene" + ] + }, + { + "compound_id": "C19277", + "inchi": "InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3", + "name": "N-Nitrosodi-n-butylamine", + "names": [ + "N,N-Dibutylnitrosoamine", + "N-Nitrosodi-n-butylamine" + ] + }, + { + "compound_id": "C19278", + "inchi": "InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2", + "name": "N-Nitrosodiethanolamine", + "names": [ + "N-Nitrosodiethanolamine" + ] + }, + { + "compound_id": "C19279", + "inchi": "InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3", + "name": "N-Nitrosodi-n-propylamine", + "names": [ + "N-Nitrosodi-n-propylamine" + ] + }, + { + "compound_id": "C19280", + "inchi": "InChI=1S/C4H7N3O/c1-7(6-8)4-2-3-5/h2,4H2,1H3", + "name": "3-(N-Nitrosomethylamino)propionitrile", + "names": [ + "3-(Methylnitrosamino)propionitrile", + "3-(N-Nitrosomethylamino)propionitrile" + ] + }, + { + "compound_id": "C19281", + "inchi": "InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3", + "name": "N-Nitrosomethylethylamine", + "names": [ + "N-Nitrosomethylethylamine" + ] + }, + { + "compound_id": "C19282", + "inchi": "InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3", + "name": "N-Nitrosomethylvinylamine", + "names": [ + "N-Nitrosomethylvinylamine" + ] + }, + { + "compound_id": "C19283", + "inchi": "InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2", + "name": "N-Nitrosomorpholine", + "names": [ + "N-Nitrosomorpholine" + ] + }, + { + "compound_id": "C19284", + "inchi": "InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2", + "name": "N-Nitrosopiperidine", + "names": [ + "N-Nitrosopiperidine" + ] + }, + { + "compound_id": "C19285", + "inchi": "InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2", + "name": "N-Nitrosopyrrolidine", + "names": [ + "N-Nitrosopyrrolidine" + ] + }, + { + "compound_id": "C19286", + "inchi": "InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)", + "name": "N-Nitrososarcosine", + "names": [ + "N-Nitrososarcosine" + ] + }, + { + "compound_id": "C19287", + "inchi": "InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3/b19-18+", + "name": "Oil Orange SS", + "names": [ + "Oil Orange SS" + ] + }, + { + "compound_id": "C19288", + "inchi": null, + "name": "Palygorskite", + "names": [ + "Attapulgite", + "Palygorskite" + ] + }, + { + "compound_id": "C19289", + "inchi": "InChI=1S/C11H11N5O5/c17-6-15(7-18)11-12-5-8(13-14-11)1-2-9-3-4-10(21-9)16(19)20/h1-5,17-18H,6-7H2/b2-1+", + "name": "Panfuran S", + "names": [ + "Dihydroxymethylfuratrizine", + "Panfuran S" + ] + }, + { + "compound_id": "C19290", + "inchi": "InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H/b16-15+;", + "name": "Phenazopyridine hydrochloride", + "names": [ + "Phenazopyridine hydrochloride" + ] + }, + { + "compound_id": "C19291", + "inchi": "InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2", + "name": "Phenyl glycidyl ether", + "names": [ + "Phenyl glycidyl ether" + ] + }, + { + "compound_id": "C19292", + "inchi": null, + "name": "Talc", + "names": [ + "Talc" + ] + }, + { + "compound_id": "C19293", + "inchi": "InChI=1/C19H18N2O7S2.2Na/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;;+1/p-2/b21-20+;;/fC19H16N2O7S2.2Na/q-2;;m", + "name": "Ponceau 3R", + "names": [ + "Ponceau 3R" + ] + }, + { + "compound_id": "C19294", + "inchi": "InChI=1/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;;+1/p-2/b20-19+;;/fC18H14N2O7S2.2Na/q-2;;m", + "name": "Ponceau MX", + "names": [ + "Ponceau MX" + ] + }, + { + "compound_id": "C19295", + "inchi": "InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1", + "name": "Potassium bromate", + "names": [ + "Potassium bromate" + ] + }, + { + "compound_id": "C19296", + "inchi": "InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2", + "name": "1,3-Propane sultone", + "names": [ + "1,3-Propane sultone" + ] + }, + { + "compound_id": "C19297", + "inchi": "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2", + "name": "Propiolactone", + "names": [ + "Propiolactone", + "beta-Propiolactone" + ] + }, + { + "compound_id": "C19298", + "inchi": "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1", + "name": "Sodium ortho-phenylphenate", + "names": [ + "Sodium ortho-phenylphenate" + ] + }, + { + "compound_id": "C19299", + "inchi": "InChI=1S/C2F4/c3-1(4)2(5)6", + "name": "Tetrafluoroethylene", + "names": [ + "Tetrafluoroethylene" + ] + }, + { + "compound_id": "C19300", + "inchi": "InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13", + "name": "Tetranitromethane", + "names": [ + "Tetranitromethane" + ] + }, + { + "compound_id": "C19301", + "inchi": "InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3", + "name": "N-Nitroso-N-methylurethane", + "names": [ + "N-Nitroso-N-methylurethane" + ] + }, + { + "compound_id": "C19302", + "inchi": "InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)", + "name": "Thioacetamide", + "names": [ + "Thioacetamide" + ] + }, + { + "compound_id": "C19303", + "inchi": "InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2", + "name": "4,4'-Thiodianiline", + "names": [ + "4,4'-Thiobisbenzenamine", + "4,4'-Thiodianiline" + ] + }, + { + "compound_id": "C19304", + "inchi": "InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)", + "name": "Thiouracil", + "names": [ + "4-Hydroxy-2-pyrimidinethiol", + "Thiouracil" + ] + }, + { + "compound_id": "C19305", + "inchi": "InChI=1S/C6H12Cl3N.ClH/c7-1-4-10(5-2-8)6-3-9;/h1-6H2;1H", + "name": "Trichlormethine", + "names": [ + "2,2',2''-Trichlorotriethylamine hydrochloride", + "Trichlormethine" + ] + }, + { + "compound_id": "C19306", + "inchi": "InChI=1S/C13H13N3/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12/h3-6,16H,1-2H3,(H2,14,15)", + "name": "Trp-P-1", + "names": [ + "3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole", + "Trp-P-1" + ] + }, + { + "compound_id": "C19307", + "inchi": "InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;", + "name": "Trypan Blue", + "names": [ + "Trypan Blue" + ] + }, + { + "compound_id": "C19308", + "inchi": null, + "name": "Vanadium pentoxide", + "names": [ + "Vanadium pentoxide" + ] + }, + { + "compound_id": "C19309", + "inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3", + "name": "Vinyl acetate", + "names": [ + "Vinyl acetate" + ] + }, + { + "compound_id": "C19310", + "inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2", + "name": "4-Vinylcyclohexene", + "names": [ + "4-Vinyl-1-cyclohexene", + "4-Vinylcyclohexene" + ] + }, + { + "compound_id": "C19311", + "inchi": "InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2", + "name": "4-Vinylcyclohexene diepoxide", + "names": [ + "4-Vinylcyclohexene diepoxide" + ] + }, + { + "compound_id": "C19312", + "inchi": "InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2", + "name": "Acenaphthene", + "names": [ + "Acenaphthene" + ] + }, + { + "compound_id": "C19313", + "inchi": null, + "name": "HTLV-1 basic zipper factor", + "names": [ + "HBZ", + "HTLV-1 basic zipper factor" + ] + }, + { + "compound_id": "C19314", + "inchi": "InChI=1S/C18H12/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-7,10H,8-9H2", + "name": "Acepyrene", + "names": [ + "3,4-Dihydrocyclopenta[cd]pyrene", + "Acepyrene" + ] + }, + { + "compound_id": "C19315", + "inchi": "InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3", + "name": "Acridine orange", + "names": [ + "3,6-Bis(dimethylamino)acridine", + "Acridine orange" + ] + }, + { + "compound_id": "C19316", + "inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2", + "name": "Allyl chloride", + "names": [ + "Allyl chloride" + ] + }, + { + "compound_id": "C19317", + "inchi": "InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2", + "name": "Allyl isothiocyanate", + "names": [ + "Allyl isothiocyanate" + ] + }, + { + "compound_id": "C19318", + "inchi": "InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3", + "name": "Allyl isovalerate", + "names": [ + "Allyl isovalerate" + ] + }, + { + "compound_id": "C19319", + "inchi": "InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2", + "name": "5-Aminoacenaphthene", + "names": [ + "5-Acenaphthenamine", + "5-Aminoacenaphthene" + ] + }, + { + "compound_id": "C19320", + "inchi": "InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3", + "name": "1-Amino-2-methylanthraquinone", + "names": [ + "1-Amino-2-methylanthraquinone" + ] + }, + { + "compound_id": "C19321", + "inchi": "InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2", + "name": "2-Amino-4-nitrophenol", + "names": [ + "2-Amino-4-nitrophenol" + ] + }, + { + "compound_id": "C19322", + "inchi": "InChI=1S/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2", + "name": "2-Amino-5-nitrophenol", + "names": [ + "2-Amino-5-nitrophenol" + ] + }, + { + "compound_id": "C19323", + "inchi": "InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2", + "name": "4-Amino-2-nitrophenol", + "names": [ + "4-Amino-2-nitrophenol" + ] + }, + { + "compound_id": "C19324", + "inchi": "InChI=1S/C3H3N3O2S/c4-3-5-1-2(9-3)6(7)8/h1H,(H2,4,5)", + "name": "2-Amino-5-nitrothiazole", + "names": [ + "2-Amino-5-nitrothiazole", + "Aminonitrothiazole" + ] + }, + { + "compound_id": "C19325", + "inchi": "InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)", + "name": "11-Aminoundecanoic acid", + "names": [ + "11-Aminoundecanoic acid" + ] + }, + { + "compound_id": "C19326", + "inchi": "InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3", + "name": "para-Anisidine", + "names": [ + "1-Amino-4-methoxybenzene", + "para-Anisidine" + ] + }, + { + "compound_id": "C19327", + "inchi": "InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H", + "name": "Anthanthrene", + "names": [ + "Anthanthrene", + "Dibenzo[cd,jk]pyrene" + ] + }, + { + "compound_id": "C19328", + "inchi": null, + "name": "Antimony trisulfide", + "names": [ + "Antimony trisulfide" + ] + }, + { + "compound_id": "C19329", + "inchi": "InChI=1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2", + "name": "Apholate", + "names": [ + "Apholate" + ] + }, + { + "compound_id": "C19330", + "inchi": null, + "name": "para-Aramid fibrils", + "names": [ + "Kevlar 49", + "para-Aramid fibrils" + ] + }, + { + "compound_id": "C19331", + "inchi": "InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3", + "name": "Arsenobetaine", + "names": [ + "Arsenobetaine" + ] + }, + { + "compound_id": "C19332", + "inchi": "InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2", + "name": "2-(1-Aziridinyl)ethanol", + "names": [ + "1-Aziridineethanol", + "2-(1-Aziridinyl)ethanol" + ] + }, + { + "compound_id": "C19333", + "inchi": "InChI=1S/C16H22N2O6/c1-21-7-9-23-15-11(17-3-4-17)14(20)16(24-10-8-22-2)12(13(15)19)18-5-6-18/h3-10H2,1-2H3", + "name": "Aziridyl benzoquinone", + "names": [ + "Aziridyl benzoquinone", + "Benzoquinone aziridine" + ] + }, + { + "compound_id": "C19334", + "inchi": "InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H/b14-13+", + "name": "Azobenzene", + "names": [ + "Azobenzene" + ] + }, + { + "compound_id": "C19335", + "inchi": "InChI=1S/C19H12/c1-2-7-16-13(4-1)10-15-9-8-12-5-3-6-14-11-17(16)19(15)18(12)14/h1-10H,11H2", + "name": "11H-Benz[bc]aceanthrylene", + "names": [ + "11H-Benz[bc]aceanthrylene" + ] + }, + { + "compound_id": "C19336", + "inchi": "InChI=1S/C20H12/c1-2-7-17-13(4-1)8-9-16-12-15-6-3-5-14-10-11-18(19(14)15)20(16)17/h1-12H", + "name": "Benz[l]aceanthrylene", + "names": [ + "Benz[l]aceanthrylene" + ] + }, + { + "compound_id": "C19337", + "inchi": "InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H", + "name": "Benz[a]acridine", + "names": [ + "Benz[a]acridine" + ] + }, + { + "compound_id": "C19338", + "inchi": "InChI=1S/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H", + "name": "Benz[c]acridine", + "names": [ + "12-Azabenz[a]anthracene", + "Benz[c]acridine" + ] + }, + { + "compound_id": "C19339", + "inchi": "InChI=1S/C22H14/c1-2-7-17-14-22-18(13-16(17)6-1)10-12-20-19-8-4-3-5-15(19)9-11-21(20)22/h1-14H", + "name": "Benzo[b]chrysene", + "names": [ + "1,2:6,7-Dibenzophenanthrene", + "Benzo[b]chrysene" + ] + }, + { + "compound_id": "C19340", + "inchi": "InChI=1S/C22H14/c1-2-8-16-15(7-1)13-14-21-19-11-4-3-9-17(19)18-10-5-6-12-20(18)22(16)21/h1-14H", + "name": "Benzo[g]chrysene", + "names": [ + "Benzo[g]chrysene" + ] + }, + { + "compound_id": "C19341", + "inchi": "InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H", + "name": "Benzo[a]fluoranthene", + "names": [ + "Benzo[a]fluoranthene" + ] + }, + { + "compound_id": "C19342", + "inchi": "InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H", + "name": "Benzo[ghi]fluoranthene", + "names": [ + "2,13-Benzofluoranthene", + "Benzo[ghi]fluoranthene" + ] + }, + { + "compound_id": "C19343", + "inchi": "InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2", + "name": "Benzo[a]fluorene", + "names": [ + "11H-Benzo[a]fluorene", + "Benzo[a]fluorene" + ] + }, + { + "compound_id": "C19344", + "inchi": "InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2", + "name": "Benzo[c]fluorene", + "names": [ + "7H-Benzo[c]fluorene", + "Benzo[c]fluorene" + ] + }, + { + "compound_id": "C19345", + "inchi": "InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H", + "name": "para-Benzoquinone dioxime", + "names": [ + "para-Benzoquinone dioxime" + ] + }, + { + "compound_id": "C19346", + "inchi": "InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H", + "name": "Benzoyl peroxide", + "names": [ + "Benzoyl peroxide" + ] + }, + { + "compound_id": "C19347", + "inchi": "InChI=1S/C8H16N3OPS/c14-13(9-1-2-9,10-3-4-10)11-5-7-12-8-6-11/h1-8H2", + "name": "Bis(1-aziridinyl)morpholinophosphine sulfide", + "names": [ + "Bis(1-aziridinyl)morpholinophosphine sulfide" + ] + }, + { + "compound_id": "C19348", + "inchi": "InChI=1S/C4H8Cl2O2/c5-3-7-1-2-8-4-6/h1-4H2", + "name": "1,2-Bis(chloromethoxy)ethane", + "names": [ + "1,2-Bis(chloromethoxy)ethane" + ] + }, + { + "compound_id": "C19349", + "inchi": "InChI=1S/C10H12Cl2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2", + "name": "1,4-Bis(chloromethoxymethyl)benzene", + "names": [ + "1,4-Bis(chloromethoxymethyl)benzene" + ] + }, + { + "compound_id": "C19350", + "inchi": "InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3", + "name": "Bis(2-chloro-1-methylethyl)ether", + "names": [ + "Bis(2-chloro-1-methylethyl)ether", + "DCIP" + ] + }, + { + "compound_id": "C19351", + "inchi": "InChI=1S/C10H14O3/c1-3-7-9(12-7)5(1)11-6-2-4-8-10(6)13-8/h5-10H,1-4H2", + "name": "Bis(2,3-epoxycyclopentyl)ether", + "names": [ + "Bis(2,3-epoxycyclopentyl)ether" + ] + }, + { + "compound_id": "C19352", + "inchi": "InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2", + "name": "Brilliant Blue", + "names": [ + "Brilliant Blue", + "Brilliant Blue FCF, disodium salt" + ] + }, + { + "compound_id": "C19353", + "inchi": "InChI=1S/C2HBrClN/c3-2(4)1-5/h2H", + "name": "Bromochloroacetonitrile", + "names": [ + "Bromochloroacetonitrile" + ] + }, + { + "compound_id": "C19354", + "inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3", + "name": "Bromoethane", + "names": [ + "Bromoethane", + "Ethyl bromide" + ] + }, + { + "compound_id": "C19355", + "inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3", + "name": "2-Butoxyethanol", + "names": [ + "2-Butoxyethanol" + ] + }, + { + "compound_id": "C19356", + "inchi": "InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3", + "name": "1-tert-Butoxy-2-propanol", + "names": [ + "1-(1,1-Dimethylethoxy)-2-propanol", + "1-tert-Butoxy-2-propanol", + "Propylene glycol mono-t-buthyl ether" + ] + }, + { + "compound_id": "C19357", + "inchi": "InChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3", + "name": "3-Carbethoxypsoralen", + "names": [ + "3-Carbethoxypsoralen" + ] + }, + { + "compound_id": "C19358", + "inchi": "InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-21+;;", + "name": "Carmoisine", + "names": [ + "Azorubin", + "C.I. Acid Red 14", + "Carmoisine" + ] + }, + { + "compound_id": "C19359", + "inchi": "InChI=1S/ClH2N/c1-2/h2H2", + "name": "Chloramine", + "names": [ + "Chloramine" + ] + }, + { + "compound_id": "C19360", + "inchi": "InChI=1S/C2H2ClN/c3-1-2-4/h1H2", + "name": "Chloroacetonitrile", + "names": [ + "Chloroacetonitrile" + ] + }, + { + "compound_id": "C19361", + "inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H", + "name": "Chlorodifluoromethane", + "names": [ + "Chlorodifluoromethane" + ] + }, + { + "compound_id": "C19362", + "inchi": "InChI=1S/CH2ClF/c2-1-3/h1H2", + "name": "Chlorofluoromethane", + "names": [ + "Chlorofluoromethane" + ] + }, + { + "compound_id": "C19363", + "inchi": "InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3", + "name": "3-Chloro-2-methylpropene", + "names": [ + "3-Chloro-2-methylpropene" + ] + }, + { + "compound_id": "C19364", + "inchi": "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H", + "name": "1-Chloro-3-nitrobenzene", + "names": [ + "1-Chloro-3-nitrobenzene" + ] + }, + { + "compound_id": "C19365", + "inchi": "InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2", + "name": "4-Chloro-meta-phenylenediamine", + "names": [ + "4-Chloro-1,3-benzenediamine", + "4-Chloro-meta-phenylenediamine" + ] + }, + { + "compound_id": "C19366", + "inchi": "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3", + "name": "5-Chloro-ortho-toluidine", + "names": [ + "5-Chloro-o-toluidine", + "5-Chloro-ortho-toluidine" + ] + }, + { + "compound_id": "C19367", + "inchi": "InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2", + "name": "2-Chloro-1,1,1-trifluoroethane", + "names": [ + "2-Chloro-1,1,1-trifluoroethane" + ] + }, + { + "compound_id": "C19368", + "inchi": "InChI=1S/Cr/q+3", + "name": "Chromium (III)", + "names": [ + "Chromium (III)", + "Chromium (III) ion" + ] + }, + { + "compound_id": "C19369", + "inchi": "InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H/b16-15+;", + "name": "Chrysoidine", + "names": [ + "Chrysoidine" + ] + }, + { + "compound_id": "C19370", + "inchi": "InChI=1S/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1", + "name": "CI Acid Orange 3", + "names": [ + "2-Anilino-5-(2,4-dinitroanilino)-benzenesulfonic acid", + "C.I. Acid Orange 3", + "CI Acid Orange 3" + ] + }, + { + "compound_id": "C19371", + "inchi": "InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1/b18-17+;", + "name": "CI Acid Orange 20", + "names": [ + "C.I. Acid Orange 20", + "CI Acid Orange 20" + ] + }, + { + "compound_id": "C19372", + "inchi": "InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;", + "name": "CI Orange G", + "names": [ + "C.I. Orange G", + "CI Orange G" + ] + }, + { + "compound_id": "C19373", + "inchi": "InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3/b19-18+", + "name": "CI Pigment Red 3", + "names": [ + "C.I. Pigment Red 3", + "CI Pigment Red 3" + ] + }, + { + "compound_id": "C19374", + "inchi": "InChI=1S/C16H15NO2/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+", + "name": "Cinnamyl anthranilate", + "names": [ + "Cinnamyl anthranilate" + ] + }, + { + "compound_id": "C19375", + "inchi": "InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H", + "name": "Coronene", + "names": [ + "Coronene" + ] + }, + { + "compound_id": "C19376", + "inchi": "InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3", + "name": "meta-Cresidine", + "names": [ + "4-Methoxy-2-methyl-benzenamine", + "m-Cresidine", + "meta-Cresidine" + ] + }, + { + "compound_id": "C19377", + "inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+", + "name": "Crotonaldehyde", + "names": [ + "2-Butenal", + "Crotonaldehyde" + ] + }, + { + "compound_id": "C19378", + "inchi": "InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1", + "name": "Cyclamate", + "names": [ + "Cyclamate", + "Sodium cyclamate" + ] + }, + { + "compound_id": "C19379", + "inchi": "InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-22(36)16(10-32)27-15(12-6-4-3-5-7-12)8-18(34)28-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)29-14/h3-7,13-17,19-20,27,32-33H,2,8-11H2,1H3,(H,28,34)(H,29,37)(H,30,35,36)/t13?,14-,15+,16-,17-,19?,20-/m0/s1", + "name": "Cyclochlorotine", + "names": [ + "Cyclochlorotine" + ] + }, + { + "compound_id": "C19380", + "inchi": "InChI=1S/C19H12/c1-2-7-16-13(4-1)10-15-11-14-6-3-5-12-8-9-17(16)19(15)18(12)14/h1-10H,11H2", + "name": "4H-Cyclopenta[def]chrysene", + "names": [ + "4H-Cyclopenta[def]chrysene" + ] + }, + { + "compound_id": "C19381", + "inchi": "InChI=1S/C21H16/c1-2-6-18-14(4-1)8-10-16-13-21-17(12-20(16)18)11-9-15-5-3-7-19(15)21/h1-2,4,6,8-13H,3,5,7H2", + "name": "5,6-Cyclopenteno-1,2-benzanthracene", + "names": [ + "2,3-Dihydro-1H-benzo[a]cyclopent[h]anthracene", + "5,6-Cyclopenteno-1,2-benzanthracene" + ] + }, + { + "compound_id": "C19382", + "inchi": "InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;", + "name": "D and C Red No. 9", + "names": [ + "C.I. Pigment Red 53", + "D and C Red No. 9" + ] + }, + { + "compound_id": "C19383", + "inchi": "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22", + "name": "Decabromodiphenyl oxide", + "names": [ + "Decabromodiphenyl oxide" + ] + }, + { + "compound_id": "C19384", + "inchi": "InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2", + "name": "1,2-Diamino-4-nitrobenzene", + "names": [ + "1,2-Diamino-4-nitrobenzene" + ] + }, + { + "compound_id": "C19385", + "inchi": "InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2", + "name": "1,4-Diamino-2-nitrobenzene", + "names": [ + "1,4-Diamino-2-nitrobenzene" + ] + }, + { + "compound_id": "C19386", + "inchi": "InChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3", + "name": "2,5-Diaminotoluene", + "names": [ + "2,5-Diaminotoluene", + "2-Methyl-1,4-benzenediamine" + ] + }, + { + "compound_id": "C19387", + "inchi": "InChI=1S/CH2N2/c1-3-2/h1H2", + "name": "Diazomethane", + "names": [ + "Diazomethane" + ] + }, + { + "compound_id": "C19388", + "inchi": "InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H", + "name": "Dibenz[a,c]anthracene", + "names": [ + "Benzo[b]triphenylene", + "Benzotriphenylene", + "Dibenz[a,c]anthracene" + ] + }, + { + "compound_id": "C19389", + "inchi": "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H", + "name": "Dibenz[a,j]anthracene", + "names": [ + "Dibenz[a,j]anthracene", + "Dibenzo-1,2,7,8-anthracene" + ] + }, + { + "compound_id": "C19390", + "inchi": "InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H", + "name": "Dibenzo[a,e]fluoranthene", + "names": [ + "2,3,5,6-Dibenzofluoranthene", + "Dibenzo[a,e]fluoranthene" + ] + }, + { + "compound_id": "C19391", + "inchi": "InChI=1S/C21H14/c1-3-7-17-14(5-1)11-12-19-20(17)13-16-10-9-15-6-2-4-8-18(15)21(16)19/h1-12H,13H2", + "name": "13H-Dibenzo[a,g]fluorene", + "names": [ + "13H-Dibenzo[a,g]fluorene" + ] + }, + { + "compound_id": "C19392", + "inchi": "InChI=1S/C28H16/c1-3-9-19-17(7-1)15-25-21-11-5-6-12-22(21)26-16-18-8-2-4-10-20(18)24-14-13-23(19)27(25)28(24)26/h1-16H", + "name": "Dibenzo[h,rst]pentaphene", + "names": [ + "Dibenzo[h,rst]pentaphene" + ] + }, + { + "compound_id": "C19393", + "inchi": "InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H", + "name": "Dibenzo[a,e]pyrene", + "names": [ + "Dibenzo[a,e]pyrene", + "Naphtho[1,2,3,4-def]chrysene" + ] + }, + { + "compound_id": "C19394", + "inchi": "InChI=1S/C24H14/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20(16)24(22)23(19)21/h1-14H", + "name": "Dibenzo[e,l]pyrene", + "names": [ + "Dibenzo[e,l]pyrene" + ] + }, + { + "compound_id": "C19395", + "inchi": "InChI=1S/C2HCl2N/c3-2(4)1-5/h2H", + "name": "Dichloroacetonitrile", + "names": [ + "Dichloroacetonitrile" + ] + }, + { + "compound_id": "C19396", + "inchi": "InChI=1S/C2HBr2N/c3-2(4)1-5/h2H", + "name": "Dibromoacetonitrile", + "names": [ + "Dibromoacetonitrile" + ] + }, + { + "compound_id": "C19397", + "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H", + "name": "1,3-Dichlorobenzene", + "names": [ + "1,3-Dichlorobenzene", + "meta-Dichlorobenzene" + ] + }, + { + "compound_id": "C19398", + "inchi": "InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+", + "name": "trans-1,4-Dichlorobutene", + "names": [ + "trans-1,4-Dichloro-2-butene", + "trans-1,4-Dichlorobutene" + ] + }, + { + "compound_id": "C19399", + "inchi": "InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2", + "name": "2,6-Dichloro-para-phenylenediamine", + "names": [ + "2,6-Dichloro-1,4-benzenediamine", + "2,6-Dichloro-para-phenylenediamine" + ] + }, + { + "compound_id": "C19400", + "inchi": "InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)", + "name": "N,N'-Diethylthiourea", + "names": [ + "1,3-Diethyl-2-thiourea", + "N,N'-Diethylthiourea" + ] + }, + { + "compound_id": "C19401", + "inchi": "InChI=1S/C16H12/c1-2-7-14-12(4-1)10-13-6-3-5-11-8-9-15(14)16(11)13/h1-7,10H,8-9H2", + "name": "Dihydroaceanthrylene", + "names": [ + "1,2-Dihydroaceanthrylene", + "Dihydroaceanthrylene" + ] + }, + { + "compound_id": "C19402", + "inchi": "InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3", + "name": "Dimethoxane", + "names": [ + "Dimethoxane" + ] + }, + { + "compound_id": "C19403", + "inchi": "InChI=1S/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3", + "name": "3,3'-Dimethoxybenzidine-4,4'-diisocyanate", + "names": [ + "3,3'-Dimethoxybenzidine-4,4'-diisocyanate" + ] + }, + { + "compound_id": "C19404", + "inchi": "InChI=1S/C13H10O3/c1-7-5-11(14)16-13-9(7)3-4-10-12(13)8(2)6-15-10/h3-6H,1-2H3", + "name": "4,4'-Dimethylangelicin", + "names": [ + "4,4'-Dimethylangelicin" + ] + }, + { + "compound_id": "C19405", + "inchi": "InChI=1S/C13H10O3/c1-7-5-12(14)16-13-9(7)3-4-11-10(13)6-8(2)15-11/h3-6H,1-2H3", + "name": "4,5'-Dimethylangelicin", + "names": [ + "4,5'-Dimethylangelicin" + ] + }, + { + "compound_id": "C19406", + "inchi": "InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3", + "name": "Dimethyl hydrogen phosphite", + "names": [ + "Dimethyl hydrogen phosphite" + ] + }, + { + "compound_id": "C19407", + "inchi": "InChI=1S/C16H14/c1-11-7-8-12(2)16-14(11)10-9-13-5-3-4-6-15(13)16/h3-10H,1-2H3", + "name": "1,4-Dimethylphenanthrene", + "names": [ + "1,4-Dimethylphenanthrene" + ] + }, + { + "compound_id": "C19408", + "inchi": "InChI=1S/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H", + "name": "1,3-Dinitropyrene", + "names": [ + "1,3-Dinitropyrene" + ] + }, + { + "compound_id": "C19409", + "inchi": "InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2", + "name": "Dinitrosopentamethylenetetramine", + "names": [ + "Dinitrosopentamethylenetetramine" + ] + }, + { + "compound_id": "C19410", + "inchi": "InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3", + "name": "3,5-Dinitrotoluene", + "names": [ + "3,5-Dinitrotoluene" + ] + }, + { + "compound_id": "C19411", + "inchi": "InChI=1S/C12H12N2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,13-14H2", + "name": "2,4'-Diphenyldiamine", + "names": [ + "2,4'-Diaminobiphenyl", + "2,4'-Diphenyldiamine" + ] + }, + { + "compound_id": "C19412", + "inchi": "InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)/b18-17+", + "name": "Disperse Yellow 3", + "names": [ + "Disperse Yellow 3", + "N-[4-[2-(2-hydroxy-5-methylphenyl)diazenyl]phenyl]-acetamide" + ] + }, + { + "compound_id": "C19413", + "inchi": "InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2", + "name": "Doxefazepam", + "names": [ + "Doxefazepam" + ] + }, + { + "compound_id": "C19414", + "inchi": "InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)", + "name": "Doxylamine succinate", + "names": [ + "Doxylamine succinate" + ] + }, + { + "compound_id": "C19415", + "inchi": "InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)", + "name": "Dulcin", + "names": [ + "Dulcin" + ] + }, + { + "compound_id": "C19416", + "inchi": "InChI=1S/C20H8Br4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H", + "name": "Eosin", + "names": [ + "D & C Red no. 21", + "Eosin" + ] + }, + { + "compound_id": "C19417", + "inchi": "InChI=1S/C16H24O4/c1-8-3-12-14(19-12)5-10(8)7-18-16(17)11-6-15-13(20-15)4-9(11)2/h8-15H,3-7H2,1-2H3", + "name": "3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate", + "names": [ + "3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate" + ] + }, + { + "compound_id": "C19418", + "inchi": "InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)", + "name": "cis-9,10-Epoxystearic acid", + "names": [ + "cis-9,10-Epoxystearic acid" + ] + }, + { + "compound_id": "C19419", + "inchi": "InChI=1S/C2H4S/c1-2-3-1/h1-2H2", + "name": "Ethylene sulfide", + "names": [ + "Ethylene sulfide", + "Thiirane" + ] + }, + { + "compound_id": "C19420", + "inchi": "InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3", + "name": "2-Ethylhexyl acrylate", + "names": [ + "2-Ethylhexyl acrylate" + ] + }, + { + "compound_id": "C19421", + "inchi": "InChI=1/C20H40N4S8Se/c1-9-21(10-2)17(25)29-33(30-18(26)22(11-3)12-4,31-19(27)23(13-5)14-6)32-20(28)24(15-7)16-8/h9-16H2,1-8H3", + "name": "Ethyl selenac", + "names": [ + "Ethyl selenac" + ] + }, + { + "compound_id": "C19422", + "inchi": "InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;", + "name": "Evans blue", + "names": [ + "Evans blue" + ] + }, + { + "compound_id": "C19423", + "inchi": "InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-1", + "name": "Fast Green FCF", + "names": [ + "Fast Green FCF" + ] + }, + { + "compound_id": "C19424", + "inchi": null, + "name": "Ferric oxide", + "names": [ + "Ferric oxide" + ] + }, + { + "compound_id": "C19425", + "inchi": "InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H", + "name": "Fluoranthene", + "names": [ + "Fluoranthene" + ] + }, + { + "compound_id": "C19426", + "inchi": "InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h9-10,20H,2-8,11-19H2,1H3/b10-9-", + "name": "Glycidyl oleate", + "names": [ + "Glycidyl oleate" + ] + }, + { + "compound_id": "C19427", + "inchi": "InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)24-19-20-18-23-20/h20H,2-19H2,1H3", + "name": "Glycidyl stearate", + "names": [ + "Glycidyl stearate" + ] + }, + { + "compound_id": "C19428", + "inchi": "InChI=1S/C37H36N2O6S2.2Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);;/q;2*+1/p-1", + "name": "Guinea Green B", + "names": [ + "C.I. Acid Green 3", + "Guinea Green B" + ] + }, + { + "compound_id": "C19429", + "inchi": "InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2", + "name": "HC Blue No. 2", + "names": [ + "2,2'-[[4-[(2-Hydroxyethyl)amino]-3-nitrophenyl]imino]bis-ethanol", + "HC Blue No. 2" + ] + }, + { + "compound_id": "C19430", + "inchi": "InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2", + "name": "HC Red No. 3", + "names": [ + "2-[(4-Amino-2-nitrophenyl)amino]-ethanol", + "HC Red No. 3" + ] + }, + { + "compound_id": "C19431", + "inchi": "InChI=1S/C10H14N2O5/c13-4-3-11-9-2-1-8(12(15)16)7-10(9)17-6-5-14/h1-2,7,11,13-14H,3-6H2", + "name": "HC Yellow No. 4", + "names": [ + "2-[[2-(2-Hydroxyethoxy)-4-nitrophenyl]amino]-ethanol", + "HC Yellow No. 4" + ] + }, + { + "compound_id": "C19432", + "inchi": "InChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4)", + "name": "Hycanthone mesylate", + "names": [ + "Hycanthone mesylate" + ] + }, + { + "compound_id": "C19433", + "inchi": "InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+", + "name": "4-Hydroxyazobenzene", + "names": [ + "4-(Phenylazo)phenol", + "4-Hydroxyazobenzene" + ] + }, + { + "compound_id": "C19434", + "inchi": "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H", + "name": "8-Hydroxyquinoline", + "names": [ + "8-Hydroxyquinoline", + "Oxyquinoline" + ] + }, + { + "compound_id": "C19435", + "inchi": "InChI=1S/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20?/m1/s1", + "name": "Hydroxysenkirkine", + "names": [ + "Hydroxysenkirkine" + ] + }, + { + "compound_id": "C19436", + "inchi": null, + "name": "Iron-dextrin complex", + "names": [ + "Dextriferron", + "Iron-dextrin complex" + ] + }, + { + "compound_id": "C19437", + "inchi": null, + "name": "Iron sorbitex", + "names": [ + "Iron sorbitex" + ] + }, + { + "compound_id": "C19438", + "inchi": "InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3", + "name": "Lauroyl peroxide", + "names": [ + "Dilauroyl peroxide", + "Lauroyl peroxide" + ] + }, + { + "compound_id": "C19439", + "inchi": "InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-1", + "name": "Light Green SF", + "names": [ + "C.I. Acid Green 5", + "Light Green SF" + ] + }, + { + "compound_id": "C19440", + "inchi": "InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2", + "name": "Malonaldehyde", + "names": [ + "Malonaldehyde", + "Malondialdehyde" + ] + }, + { + "compound_id": "C19441", + "inchi": "InChI=1S/C10H22Cl2N2O4.2ClH/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12;;/h7-10,13-18H,1-6H2;2*1H/t7-,8-,9-,10-;;/m1../s1", + "name": "Mannomustine dihydrochloride", + "names": [ + "Degranol", + "Mannomustine dihydrochloride" + ] + }, + { + "compound_id": "C19442", + "inchi": "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m1/s1", + "name": "Medphalan", + "names": [ + "D-Melphalan", + "Medphalan" + ] + }, + { + "compound_id": "C19443", + "inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3", + "name": "Methyl acrylate", + "names": [ + "Methyl acrylate" + ] + }, + { + "compound_id": "C19444", + "inchi": "InChI=1S/C12H8O3/c1-7-6-10-9(4-5-14-10)12-8(7)2-3-11(13)15-12/h2-6H,1H3", + "name": "5-Methylangelicin", + "names": [ + "5-Methylangelicin" + ] + }, + { + "compound_id": "C19445", + "inchi": "InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)", + "name": "Methyl carbamate", + "names": [ + "Methyl carbamate" + ] + }, + { + "compound_id": "C19446", + "inchi": "InChI=1S/CH3Cl/c1-2/h1H3", + "name": "Methyl chloride", + "names": [ + "Methyl chloride" + ] + }, + { + "compound_id": "C19447", + "inchi": "InChI=1S/C19H14/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-12H,1H3", + "name": "1-Methylchrysene", + "names": [ + "1-Methylchrysene" + ] + }, + { + "compound_id": "C19448", + "inchi": "InChI=1S/C19H14/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18/h2-12H,1H3", + "name": "2-Methylchrysene", + "names": [ + "2-Methylchrysene" + ] + }, + { + "compound_id": "C19449", + "inchi": "InChI=1S/C19H14/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2-12H,1H3", + "name": "3-Methylchrysene", + "names": [ + "3-Methylchrysene" + ] + }, + { + "compound_id": "C19450", + "inchi": "InChI=1S/C19H14/c1-13-5-4-7-15-10-11-17-16-8-3-2-6-14(16)9-12-18(17)19(13)15/h2-12H,1H3", + "name": "4-Methylchrysene", + "names": [ + "4-Methylchrysene" + ] + }, + { + "compound_id": "C19451", + "inchi": "InChI=1S/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3", + "name": "6-Methylchrysene", + "names": [ + "6-Methylchrysene" + ] + }, + { + "compound_id": "C19452", + "inchi": "InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3", + "name": "N-Methyl-N,4-dinitrosoaniline", + "names": [ + "N,4-Dinitrosomethylaniline", + "N-Methyl-N,4-dinitrosoaniline" + ] + }, + { + "compound_id": "C19453", + "inchi": "InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2", + "name": "4,4'-Methylenediphenyl diisocyanate", + "names": [ + "4,4'-Methylenediphenyl diisocyanate", + "Methylenebisphenyl diisocyanate" + ] + }, + { + "compound_id": "C19454", + "inchi": "InChI=1S/C17H12/c1-11-9-12-5-4-8-15-13-6-2-3-7-14(13)16(10-11)17(12)15/h2-10H,1H3", + "name": "2-Methylfluoranthene", + "names": [ + "2-Methylfluoranthene" + ] + }, + { + "compound_id": "C19455", + "inchi": "InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3", + "name": "3-Methylfluoranthene", + "names": [ + "3-Methylfluoranthene" + ] + }, + { + "compound_id": "C19456", + "inchi": "InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)", + "name": "N-Methylolacrylamide", + "names": [ + "N-(Hydroxymethyl)acrylamide", + "N-Methylolacrylamide" + ] + }, + { + "compound_id": "C19457", + "inchi": "InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3", + "name": "1-Methylphenanthrene", + "names": [ + "1-Methylphenanthrene" + ] + }, + { + "compound_id": "C19458", + "inchi": "InChI=1S/C15H9NO3/c1-8-13-9(3-5-18-13)6-11-10-2-4-16-7-12(10)15(17)19-14(8)11/h2-7H,1H3", + "name": "7-Methylpyrido[3,4-c]psoralen", + "names": [ + "7-Methylpyrido[3,4-c]psoralen" + ] + }, + { + "compound_id": "C19459", + "inchi": "InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+", + "name": "Methyl red", + "names": [ + "Methyl red", + "o-Methyl red" + ] + }, + { + "compound_id": "C19460", + "inchi": "InChI=1S/C12H24N4S8Se/c1-13(2)9(17)21-25(22-10(18)14(3)4,23-11(19)15(5)6)24-12(20)16(7)8/h1-8H3", + "name": "Methyl selenac", + "names": [ + "Methyl selenac", + "Tetrakis(dimethyldithiocarbamato)-selenium" + ] + }, + { + "compound_id": "C19461", + "inchi": "InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3", + "name": "Musk ambrette", + "names": [ + "Musk ambrette" + ] + }, + { + "compound_id": "C19462", + "inchi": "InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3", + "name": "Musk xylene", + "names": [ + "Musk xylene" + ] + }, + { + "compound_id": "C19463", + "inchi": "InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2", + "name": "1,5-Naphthalenediamine", + "names": [ + "1,5-Naphthalenediamine" + ] + }, + { + "compound_id": "C19464", + "inchi": "InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H", + "name": "1,5-Naphthalene diisocyanate", + "names": [ + "1,5-Naphthalene diisocyanate" + ] + }, + { + "compound_id": "C19465", + "inchi": "InChI=1S/C24H14/c1-2-7-16-15(6-1)12-13-19-21-11-5-10-20-17-8-3-4-9-18(17)23(24(20)21)14-22(16)19/h1-14H", + "name": "Naphtho[1,2-b]fluoranthene", + "names": [ + "Indeno[1,2,3-hi]chrysene", + "Naphtho[1,2-b]fluoranthene" + ] + }, + { + "compound_id": "C19466", + "inchi": "InChI=1S/C24H14/c1-2-8-17-15(6-1)12-13-21-22(17)14-16-7-5-11-19-18-9-3-4-10-20(18)24(21)23(16)19/h1-14H", + "name": "Naphtho[2,1-a]fluoranthene", + "names": [ + "Dibenz[a,j]aceanthrylene", + "Naphtho[2,1-a]fluoranthene" + ] + }, + { + "compound_id": "C19467", + "inchi": "InChI=1S/C24H14/c1-2-6-18-14-22-20-10-4-8-16-12-11-15-7-3-9-19(23(15)24(16)20)21(22)13-17(18)5-1/h1-14H", + "name": "Naphtho[2,3-e]pyrene", + "names": [ + "Dibenzo[de,qr]naphthacene", + "Naphtho[2,3-e]pyrene" + ] + }, + { + "compound_id": "C19468", + "inchi": "InChI=1S/C6H8N4O3S/c1-2-7-5(11)9-6-8-3-4(14-6)10(12)13/h3H,2H2,1H3,(H2,7,8,9,11)", + "name": "Nithiazide", + "names": [ + "Nithiazide" + ] + }, + { + "compound_id": "C19469", + "inchi": "InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3", + "name": "5-Nitro-ortho-anisidine", + "names": [ + "2-Methoxy-5-nitroaniline", + "5-Nitro-ortho-anisidine" + ] + }, + { + "compound_id": "C19470", + "inchi": "InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H", + "name": "9-Nitroanthracene", + "names": [ + "9-Nitroanthracene" + ] + }, + { + "compound_id": "C19471", + "inchi": "InChI=1S/C18H11NO2/c20-19(21)18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H", + "name": "7-Nitrobenz[a]anthracene", + "names": [ + "7-Nitrobenz[a]anthracene" + ] + }, + { + "compound_id": "C19472", + "inchi": "InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H", + "name": "6-Nitrobenzo[a]pyrene", + "names": [ + "6-Nitrobenzo[a]pyrene" + ] + }, + { + "compound_id": "C19473", + "inchi": "InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H", + "name": "4-Nitrobiphenyl", + "names": [ + "4-Nitro-1,1'-biphenyl", + "4-Nitrobiphenyl" + ] + }, + { + "compound_id": "C19474", + "inchi": "InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H", + "name": "2-Nitronaphthalene", + "names": [ + "2-Nitronaphthalene" + ] + }, + { + "compound_id": "C19475", + "inchi": "InChI=1S/C20H11NO2/c22-21(23)18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H", + "name": "3-Nitroperylene", + "names": [ + "3-Nitroperylene" + ] + }, + { + "compound_id": "C19476", + "inchi": "InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H", + "name": "2-Nitropyrene", + "names": [ + "2-Nitropyrene" + ] + }, + { + "compound_id": "C19477", + "inchi": "InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2", + "name": "N'-Nitrosoanabasine", + "names": [ + "3-(1-Nitroso-2-piperidinyl)-pyridine", + "N'-Nitrosoanabasine" + ] + }, + { + "compound_id": "C19478", + "inchi": "InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h2-4,6-8,10H,1,5H2/t10-/m1/s1", + "name": "N'-Nitrosoanatabine", + "names": [ + "N'-Nitrosoanatabine", + "NAT" + ] + }, + { + "compound_id": "C19479", + "inchi": "InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H", + "name": "para-Nitrosodiphenylamine", + "names": [ + "4-Nitroso-N-phenyl-benzenamine", + "para-Nitrosodiphenylamine" + ] + }, + { + "compound_id": "C19480", + "inchi": "InChI=1S/C19H18N8O7/c20-19-24-15-14(16(30)25-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)17(31)27(26-34)12(18(32)33)5-6-13(28)29/h1-4,8,12,21H,5-7H2,(H,28,29)(H,32,33)(H3,20,22,24,25,30)/t12-/m0/s1", + "name": "N-Nitrosofolic acid", + "names": [ + "N-Nitrosofolic acid", + "N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-L-Glutamic acid" + ] + }, + { + "compound_id": "C19481", + "inchi": "InChI=1S/C6H8N2O3/c9-6(10)5-2-1-3-8(4-5)7-11/h2H,1,3-4H2,(H,9,10)", + "name": "N-Nitrosoguvacine", + "names": [ + "N-Nitrosoguvacine" + ] + }, + { + "compound_id": "C19482", + "inchi": "InChI=1S/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3", + "name": "N-Nitrosoguvacoline", + "names": [ + "N-Nitrosoguvacoline" + ] + }, + { + "compound_id": "C19483", + "inchi": "InChI=1S/C5H8N2O4/c8-3-1-4(5(9)10)7(2-3)6-11/h3-4,8H,1-2H2,(H,9,10)/t3-,4+/m1/s1", + "name": "N-Nitrosohydroxyproline", + "names": [ + "4-Hydroxy-1-nitroso-L-proline", + "N-Nitrosohydroxyproline" + ] + }, + { + "compound_id": "C19484", + "inchi": "InChI=1S/C4H8N2O2/c1-6(5-8)3-2-4-7/h4H,2-3H2,1H3", + "name": "3-(N-Nitrosomethylamino)propionaldehyde", + "names": [ + "3-(Methylnitrosoamino)-propanal", + "3-(N-Nitrosomethylamino)propionaldehyde" + ] + }, + { + "compound_id": "C19485", + "inchi": "InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)/t4-/m0/s1", + "name": "N-Nitrosoproline", + "names": [ + "1-Nitroso-L-proline", + "N-Nitrosoproline" + ] + }, + { + "compound_id": "C19486", + "inchi": "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3", + "name": "3-Nitrotoluene", + "names": [ + "3-Nitrotoluene" + ] + }, + { + "compound_id": "C19487", + "inchi": "InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)/b3-1+,4-2+", + "name": "Nitrovin", + "names": [ + "Difurazone", + "Nitrovin" + ] + }, + { + "compound_id": "C19488", + "inchi": "InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3", + "name": "7,12-Dimethylbenz[a]anthracene", + "names": [ + "7,12-Dimethylbenz[a]anthracene", + "DMBA" + ] + }, + { + "compound_id": "C19489", + "inchi": "InChI=1S/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3", + "name": "1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene", + "names": [ + "1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene" + ] + }, + { + "compound_id": "C19490", + "inchi": "InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1", + "name": "trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene", + "names": [ + "trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene", + "trans-DMBA-3,4-dihydrodiol" + ] + }, + { + "compound_id": "C19491", + "inchi": "InChI=1S/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4-", + "name": "2-methylbutanal oxime", + "names": [ + "2-methylbutanal oxime" + ] + }, + { + "compound_id": "C19492", + "inchi": null, + "name": "Nylon 6", + "names": [ + "Nylon 6", + "Policapram" + ] + }, + { + "compound_id": "C19493", + "inchi": "InChI=1S/C42H50Cl4N2O4/c1-42-17-16-36-35-13-11-34(51-40(49)26-29-2-7-32(8-3-29)47(22-18-43)23-19-44)28-31(35)6-12-37(36)38(42)14-15-39(42)52-41(50)27-30-4-9-33(10-5-30)48(24-20-45)25-21-46/h2-5,7-11,13,28,36-39H,6,12,14-27H2,1H3/t36-,37-,38+,39+,42+/m1/s1", + "name": "Estradiol mustard", + "names": [ + "Estradiol mustard", + "Oestradiol mustard" + ] + }, + { + "compound_id": "C19494", + "inchi": "InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3", + "name": "Oxyphenbutazone", + "names": [ + "Oxyphenbutazone" + ] + }, + { + "compound_id": "C19495", + "inchi": "InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4+", + "name": "Penicillic acid", + "names": [ + "3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid", + "Penicillic acid" + ] + }, + { + "compound_id": "C19496", + "inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H", + "name": "Pentachloroethane", + "names": [ + "1,1,1,2,2-Pentachloro-ethane", + "Pentachloroethane" + ] + }, + { + "compound_id": "C19497", + "inchi": "InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H", + "name": "Perylene", + "names": [ + "Perylene" + ] + }, + { + "compound_id": "C19498", + "inchi": "InChI=1S/C7H9N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)", + "name": "Phenicarbazide", + "names": [ + "Phenicarbazide" + ] + }, + { + "compound_id": "C19499", + "inchi": "InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2", + "name": "para-Phenylenediamine", + "names": [ + "1,4-Benzenediamine", + "para-Phenylenediamine" + ] + }, + { + "compound_id": "C19500", + "inchi": "InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H", + "name": "Picene", + "names": [ + "Benzo[a]chrysene", + "Picene" + ] + }, + { + "compound_id": "C19501", + "inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)", + "name": "Polyacrylic acid", + "names": [ + "Polyacrylic acid" + ] + }, + { + "compound_id": "C19502", + "inchi": "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2", + "name": "Polychloroprene", + "names": [ + "Polychloroprene" + ] + }, + { + "compound_id": "C19503", + "inchi": "InChI=1S/C2H4/c1-2/h1-2H2", + "name": "Polyethylene", + "names": [ + "Polyethylene" + ] + }, + { + "compound_id": "C19504", + "inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3", + "name": "Polymethyl methacrylate", + "names": [ + "Polymethyl methacrylate" + ] + }, + { + "compound_id": "C19505", + "inchi": null, + "name": "Polipropene 25", + "names": [ + "Polipropene 25", + "Polypropylene" + ] + }, + { + "compound_id": "C19506", + "inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2", + "name": "Polystyrene", + "names": [ + "Polystyrene" + ] + }, + { + "compound_id": "C19507", + "inchi": null, + "name": "Polytetrafluoroethylene", + "names": [ + "Polytef", + "Polytetrafluoroethylene" + ] + }, + { + "compound_id": "C19508", + "inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2", + "name": "Polyvinyl chloride", + "names": [ + "Polyvinyl chloride" + ] + }, + { + "compound_id": "C19509", + "inchi": null, + "name": "Polyvinyl pyrrolidone", + "names": [ + "Polyvinyl pyrrolidone", + "Povidone" + ] + }, + { + "compound_id": "C19510", + "inchi": "InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)17(28(22,23)24)9-14(10)19-20-15-8-16(21)12-5-3-4-6-13(12)18(15)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;", + "name": "Ponceau SX", + "names": [ + "C.I. 14700", + "Ponceau SX" + ] + }, + { + "compound_id": "C19511", + "inchi": "InChI=1S/C5H11NO2S2.K/c7-3-1-6(2-4-8)5(9)10;/h7-8H,1-4H2,(H,9,10);/q;+1/p-1", + "name": "Potassium bis(2-hydroxyethyl)dithiocarbamate", + "names": [ + "Bis(2-hydroxyethyl)dithiocarbamic acid, potassium salt", + "Potassium bis(2-hydroxyethyl)dithiocarbamate" + ] + }, + { + "compound_id": "C19512", + "inchi": "InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1", + "name": "Prednimustine", + "names": [ + "Prednimustine" + ] + }, + { + "compound_id": "C19513", + "inchi": "InChI=1S/C15H19NO.ClH/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15-17H,10H2,1-2H3;1H", + "name": "Pronetalol hydrochloride", + "names": [ + "Pronetalol hydrochloride" + ] + }, + { + "compound_id": "C19514", + "inchi": "InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)", + "name": "n-Propyl carbamate", + "names": [ + "n-Propyl carbamate" + ] + }, + { + "compound_id": "C19515", + "inchi": "InChI=1S/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16?,17?,18+,20-/m1/s1", + "name": "Ptaquiloside", + "names": [ + "Braxin C", + "Ptaquiloside" + ] + }, + { + "compound_id": "C19516", + "inchi": "InChI=1S/C14H7NO3/c16-14-11-7-15-3-1-9(11)10-5-8-2-4-17-12(8)6-13(10)18-14/h1-7H", + "name": "Pyrido[3,4-c]psoralen", + "names": [ + "Pyrido[3,4-c]psoralen" + ] + }, + { + "compound_id": "C19517", + "inchi": "InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H", + "name": "Rhodamine B", + "names": [ + "Rhodamine B" + ] + }, + { + "compound_id": "C19518", + "inchi": "InChI=1S/C15H16N4O/c1-3-19-15-13(10(2)18-19)17-12(20)9-16-14(15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,20)", + "name": "Ripazepam", + "names": [ + "Ripazepam" + ] + }, + { + "compound_id": "C19519", + "inchi": null, + "name": "Saccharated iron oxide", + "names": [ + "Ferric oxide, saccharated", + "Iron sucrose", + "Saccharated iron oxide" + ] + }, + { + "compound_id": "C19520", + "inchi": "InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+", + "name": "Scarlet Red", + "names": [ + "1-[2-[2-Methyl-4-[2-(2-methylphenyl)diazenyl]phenyl]diazenyl]-2-naphthalenol", + "Scarlet Red" + ] + }, + { + "compound_id": "C19521", + "inchi": "InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H", + "name": "Semicarbazide hydrochloride", + "names": [ + "Semicarbazide hydrochloride" + ] + }, + { + "compound_id": "C19522", + "inchi": null, + "name": "Sepiolite", + "names": [ + "Sepiolite" + ] + }, + { + "compound_id": "C19523", + "inchi": "InChI=1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1", + "name": "Sodium chlorite", + "names": [ + "Sodium chlorite", + "Textone" + ] + }, + { + "compound_id": "C19524", + "inchi": "InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2", + "name": "Succinic anhydride", + "names": [ + "Dihydro-2,5-furandione", + "Succinic anhydride" + ] + }, + { + "compound_id": "C19525", + "inchi": "InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+", + "name": "Sudan I", + "names": [ + "C.I. Solvent Yellow 14", + "Sudan I" + ] + }, + { + "compound_id": "C19526", + "inchi": "InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3/b20-19+", + "name": "Sudan II", + "names": [ + "C.I. Solvent Orange 7", + "Sudan II" + ] + }, + { + "compound_id": "C19527", + "inchi": "InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H/b24-23+,26-25+", + "name": "Sudan III", + "names": [ + "C.I. Solvent Red 23", + "Sudan III" + ] + }, + { + "compound_id": "C19528", + "inchi": "InChI=1S/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2/b20-19+", + "name": "Sudan Brown RR", + "names": [ + "4-[2-(1-Naphthalenyl)diazenyl]-1,3-benzenediamine", + "C.I. 11285", + "Sudan Brown RR" + ] + }, + { + "compound_id": "C19529", + "inchi": "InChI=1S/C24H21N5/c1-2-25-23-17-12-18-8-6-7-11-22(18)24(23)29-28-21-15-13-20(14-16-21)27-26-19-9-4-3-5-10-19/h3-17,25H,2H2,1H3/b27-26+,29-28+", + "name": "Sudan Red 7B", + "names": [ + "C.I. Solvent Red 19", + "N-Ethyl-1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-2-naphthalenamine", + "Oil Violet", + "Sudan Red 7B" + ] + }, + { + "compound_id": "C19530", + "inchi": "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)", + "name": "Sulfamethazine", + "names": [ + "Sulfamethazine" + ] + }, + { + "compound_id": "C19531", + "inchi": "InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;", + "name": "Sunset Yellow FCF", + "names": [ + "C.I. Food Yellow 3", + "Sunset Yellow FCF" + ] + }, + { + "compound_id": "C19532", + "inchi": null, + "name": "Strobane", + "names": [ + "Strobane", + "Terpene polychlorinates" + ] + }, + { + "compound_id": "C19533", + "inchi": "InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2", + "name": "2,2',5,5'-Tetrachlorobenzidine", + "names": [ + "2,2',5,5'-Tetrachlorobenzidine" + ] + }, + { + "compound_id": "C19534", + "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H", + "name": "1,1,2,2-Tetrachloroethane", + "names": [ + "1,1,2,2-Tetrachloroethane", + "Tetrachloroethane" + ] + }, + { + "compound_id": "C19535", + "inchi": "InChI=1S/C2Cl3N/c3-2(4,5)1-6", + "name": "Trichloroacetonitrile", + "names": [ + "2,2,2-Trichloro-acetonitrile", + "Trichloroacetonitrile" + ] + }, + { + "compound_id": "C19536", + "inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2", + "name": "1,1,2-Trichloroethane", + "names": [ + "1,1,2-Trichloroethane" + ] + }, + { + "compound_id": "C19537", + "inchi": "InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2", + "name": "Triethylene glycol diglycidyl ether", + "names": [ + "Etoglucid", + "Triethylene glycol diglycidyl ether" + ] + }, + { + "compound_id": "C19538", + "inchi": "InChI=1S/C14H12O3/c1-7-5-11(15)17-14-10(7)4-8(2)13-12(14)9(3)6-16-13/h4-6H,1-3H3", + "name": "4,4',6-Trimethylangelicin", + "names": [ + "4,4',6-Trimethylangelicin" + ] + }, + { + "compound_id": "C19539", + "inchi": "InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3", + "name": "2,4,5-Trimethylaniline", + "names": [ + "2,4,5-Trimethylaniline" + ] + }, + { + "compound_id": "C19540", + "inchi": "InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3", + "name": "2,4,6-Trimethylaniline", + "names": [ + "2,4,6-Trimethylaniline" + ] + }, + { + "compound_id": "C19541", + "inchi": "InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H", + "name": "Triphenylene", + "names": [ + "Triphenylene" + ] + }, + { + "compound_id": "C19542", + "inchi": "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2", + "name": "Triaziquone", + "names": [ + "Triaziquone", + "Tris(aziridinyl)-para-benzoquinone" + ] + }, + { + "compound_id": "C19543", + "inchi": "InChI=1S/C6H12N3OP/c10-11(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2", + "name": "Tris(1-aziridinyl)phosphine oxide", + "names": [ + "APO", + "TEPA", + "Tris(1-aziridinyl)phosphine oxide" + ] + }, + { + "compound_id": "C19544", + "inchi": "InChI=1S/C6H11Cl3O3/c7-3-10-1-6(12-5-9)2-11-4-8/h6H,1-5H2", + "name": "1,2,3-Tris(chloromethoxy)propane", + "names": [ + "1,2,3-Tris(chloromethoxy)propane" + ] + }, + { + "compound_id": "C19545", + "inchi": "InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H", + "name": "Vat Yellow 4", + "names": [ + "C.I. Vat Yellow 4", + "Dibenzo[b,def]chrysene-7,14-dione", + "Vat Yellow 4" + ] + }, + { + "compound_id": "C19546", + "inchi": "InChI=1S/C4H6O2.C2H3Cl/c1-3-6-4(2)5;1-2-3/h3H,1H2,2H3;2H,1H2", + "name": "Vinyl chloride-vinyl acetate copolymer", + "names": [ + "Pevikon", + "Vinyl chloride-vinyl acetate copolymer" + ] + }, + { + "compound_id": "C19547", + "inchi": "InChI=1S/C2H2F2/c1-2(3)4/h1H2", + "name": "Vinylidene fluoride", + "names": [ + "1,1-Difluoroethene", + "Vinylidene fluoride" + ] + }, + { + "compound_id": "C19548", + "inchi": "InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2", + "name": "N-Vinyl-2-pyrrolidone", + "names": [ + "1-Ethenyl-2-pyrrolidinone", + "N-Vinyl-2-pyrrolidone" + ] + }, + { + "compound_id": "C19549", + "inchi": null, + "name": "Vinyl toluene", + "names": [ + "Vinyl toluene" + ] + }, + { + "compound_id": "C19550", + "inchi": null, + "name": "Wollastonite", + "names": [ + "Wollastonite" + ] + }, + { + "compound_id": "C19551", + "inchi": null, + "name": "Xylenes", + "names": [ + "Xylenes" + ] + }, + { + "compound_id": "C19552", + "inchi": "InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2/b19-18+", + "name": "Yellow AB", + "names": [ + "1-(2-Phenyldiazenyl)-2-naphthalenamine", + "Yellow AB" + ] + }, + { + "compound_id": "C19553", + "inchi": "InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3/b20-19+", + "name": "Yellow OB", + "names": [ + "1-[2-(2-Methylphenyl)diazenyl]-2-naphthalenamine", + "Yellow OB" + ] + }, + { + "compound_id": "C19554", + "inchi": null, + "name": "Acriflavinium chloride", + "names": [ + "Acriflavinium chloride" + ] + }, + { + "compound_id": "C19555", + "inchi": null, + "name": "Hematite", + "names": [ + "Hematite" + ] + }, + { + "compound_id": "C19556", + "inchi": "InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3", + "name": "Tris(2-methyl-1-aziridinyl)phosphine oxide", + "names": [ + "Metepa", + "Tris(2-methyl-1-aziridinyl)phosphine oxide" + ] + }, + { + "compound_id": "C19557", + "inchi": "InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1", + "name": "Treosulfan", + "names": [ + "Treosulfan" + ] + }, + { + "compound_id": "C19558", + "inchi": "InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-", + "name": "AF-2", + "names": [ + "2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide", + "AF-2", + "Furylfuramide" + ] + }, + { + "compound_id": "C19559", + "inchi": "InChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1", + "name": "(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol", + "names": [ + "(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol" + ] + }, + { + "compound_id": "C19560", + "inchi": null, + "name": "Toluene diisocyanates", + "names": [ + "Toluene diisocyanates" + ] + }, + { + "compound_id": "C19561", + "inchi": "InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3", + "name": "7-Hydroxymethyl-12-methylbenz[a]anthracene", + "names": [ + "12-Methylbenz[a]anthracene-7-methanol", + "7-Hydroxymethyl-12-methylbenz[a]anthracene" + ] + }, + { + "compound_id": "C19562", + "inchi": "InChI=1S/C20H16O4S/c1-13-15-7-4-5-9-17(15)19(12-24-25(21,22)23)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3,(H,21,22,23)", + "name": "7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate", + "names": [ + "7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate" + ] + }, + { + "compound_id": "C19563", + "inchi": "InChI=1S/C10H13N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,14H,2,4,6,8H2", + "name": "4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone", + "names": [ + "4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone" + ] + }, + { + "compound_id": "C19564", + "inchi": "InChI=1S/C9H11N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,14)", + "name": "4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone", + "names": [ + "4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone" + ] + }, + { + "compound_id": "C19565", + "inchi": "InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2", + "name": "4-Hydroxy-1-(3-pyridinyl)-1-butanone", + "names": [ + "4-Hydroxy-1-(3-pyridinyl)-1-butanone" + ] + }, + { + "compound_id": "C19566", + "inchi": "InChI=1S/C10H13N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,10,15H,4-5H2,1H3", + "name": "4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone", + "names": [ + "4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone" + ] + }, + { + "compound_id": "C19567", + "inchi": "InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2", + "name": "4-Oxo-1-(3-pyridyl)-1-butanone", + "names": [ + "4-Oxo-1-(3-pyridyl)-1-butanone", + "gamma-Oxo-3-pyridinebutanal" + ] + }, + { + "compound_id": "C19568", + "inchi": "InChI=1S/CH4N2O/c1-2-3-4/h1H3,(H,2,4)", + "name": "N-nitrosomethanamine", + "names": [ + "N-nitrosomethanamine" + ] + }, + { + "compound_id": "C19569", + "inchi": "InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)", + "name": "3-Succinoylpyridine", + "names": [ + "3-Succinoylpyridine" + ] + }, + { + "compound_id": "C19570", + "inchi": "InChI=1S/4C5H11NS2.Te/c4*1-3-6(4-2)5(7)8;/h4*3-4H2,1-2H3,(H,7,8);/q;;;;+4/p-4", + "name": "Ethyl tellurac", + "names": [ + "Ethyl tellurac" + ] + }, + { + "compound_id": "C19571", + "inchi": null, + "name": "Polymethylene polyphenyl isocyanate", + "names": [ + "Polymethylene polyphenyl isocyanate" + ] + }, + { + "compound_id": "C19572", + "inchi": null, + "name": "Silica", + "names": [ + "Silica", + "Silica, amorphous" + ] + }, + { + "compound_id": "C19573", + "inchi": "InChI=1S/C8H8.C3H3N/c1-2-8-6-4-3-5-7-8;1-2-3-4/h2-7H,1H2;2H,1H2", + "name": "Styrene-acrylonitrile copolymer", + "names": [ + "Styrene-acrylonitrile copolymer" + ] + }, + { + "compound_id": "C19574", + "inchi": "InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3", + "name": "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol", + "names": [ + "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol", + "NNAL" + ] + }, + { + "compound_id": "C19575", + "inchi": "InChI=1S/C8H8.C4H6/c1-2-8-6-4-3-5-7-8;1-3-4-2/h2-7H,1H2;3-4H,1-2H2", + "name": "Styrene-butadiene copolymer", + "names": [ + "Styrene-butadiene copolymer" + ] + }, + { + "compound_id": "C19576", + "inchi": null, + "name": "Zeolites", + "names": [ + "Zeolites" + ] + }, + { + "compound_id": "C19577", + "inchi": "InChI=1S/C10H15N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,9-10,14-15H,4-5H2,1H3", + "name": "1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol", + "names": [ + "1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol" + ] + }, + { + "compound_id": "C19578", + "inchi": "InChI=1S/C9H11NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8-9,11H,3-4H2", + "name": "5-(3-Pyridyl)-2-hydroxytetrahydrofuran", + "names": [ + "5-(3-Pyridyl)-2-hydroxytetrahydrofuran" + ] + }, + { + "compound_id": "C19579", + "inchi": "InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)", + "name": "gamma-Hydroxy-3-pyridinebutanoate", + "names": [ + "gamma-Hydroxy-3-pyridinebutanoate" + ] + }, + { + "compound_id": "C19580", + "inchi": "InChI=1S/C10H15N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,10,14-15H,2,4,6,8H2", + "name": "alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol", + "names": [ + "alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol" + ] + }, + { + "compound_id": "C19581", + "inchi": "InChI=1S/C9H13N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7,9,13H,2,4,6H2,(H,11,14)", + "name": "alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol", + "names": [ + "alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol" + ] + }, + { + "compound_id": "C19582", + "inchi": "InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2", + "name": "1-(3-Pyridinyl)-1,4-butanediol", + "names": [ + "1-(3-Pyridinyl)-1,4-butanediol" + ] + }, + { + "compound_id": "C19583", + "inchi": "InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17-/m1/s1", + "name": "Fusarenone X", + "names": [ + "Fusarenon-X", + "Fusarenone X" + ] + }, + { + "compound_id": "C19584", + "inchi": "InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9?,17+/m0/s1", + "name": "Aflatoxicol", + "names": [ + "AFL", + "Aflatoxicol" + ] + }, + { + "compound_id": "C19585", + "inchi": "InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1", + "name": "Aflatoxin Q1", + "names": [ + "Aflatoxin Q1" + ] + }, + { + "compound_id": "C19586", + "inchi": "InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1", + "name": "Aflatoxin B1-exo-8,9-epoxide", + "names": [ + "2,3-Epoxyaflatoxin B1", + "Aflatoxin B1-exo-8,9-epoxide" + ] + }, + { + "compound_id": "C19587", + "inchi": "InChI=1S/C16H10O6/c17-8-2-1-6-11-9(18)5-10-13(7-3-4-20-16(7)21-10)14(11)22-15(19)12(6)8/h3-5,7,16,18H,1-2H2/t7-,16+/m0/s1", + "name": "Aflatoxin P1", + "names": [ + "AFP1", + "Aflatoxin P1" + ] + }, + { + "compound_id": "C19588", + "inchi": "InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1", + "name": "Aflatoxin B1 diol", + "names": [ + "Aflatoxin B1 diol", + "Aflatoxin B1-2,3-dihydrodiol" + ] + }, + { + "compound_id": "C19589", + "inchi": "InChI=1S/C17H14O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4-6,8,11,21-22H,2-3H2,1H3/t8-,11-/m0/s1", + "name": "Aflatoxin B1 dialdehyde", + "names": [ + "Aflatoxin B1 dialdehyde" + ] + }, + { + "compound_id": "C19590", + "inchi": "InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3", + "name": "6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione", + "names": [ + "6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione" + ] + }, + { + "compound_id": "C19591", + "inchi": "InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,6,8,11,18,21-22H,2-3,5H2,1H3", + "name": "1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal", + "names": [ + "1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal" + ] + }, + { + "compound_id": "C19592", + "inchi": "InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4-5,8,11,19,21-22H,2-3,6H2,1H3", + "name": "alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde", + "names": [ + "alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde" + ] + }, + { + "compound_id": "C19594", + "inchi": "InChI=1S/C17H12O8/c1-21-7-4-8-11(17(20)13-15(24-13)25-16(17)22-8)12-10(7)5-2-3-6(18)9(5)14(19)23-12/h4,13,15-16,20H,2-3H2,1H3/t13-,15-,16-,17-/m0/s1", + "name": "Aflatoxin-M1-8,9-epoxide", + "names": [ + "Aflatoxin-M1-8,9-epoxide" + ] + }, + { + "compound_id": "C19595", + "inchi": "InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14+,16+,17-/m1/s1", + "name": "Aflatoxin B1-endo-8,9-epoxide", + "names": [ + "Aflatoxin B1-endo-8,9-epoxide" + ] + }, + { + "compound_id": "C19596", + "inchi": null, + "name": "Lipooligosaccharide", + "names": [ + "LOS", + "Lipooligosaccharide" + ] + }, + { + "compound_id": "C19597", + "inchi": "InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3", + "name": "2-Nitrotoluene", + "names": [ + "2-Nitrotoluene" + ] + }, + { + "compound_id": "C19598", + "inchi": null, + "name": "Polyurethane foam", + "names": [ + "Polyurethane foam", + "Polyurethane foams" + ] + }, + { + "compound_id": "C19599", + "inchi": "InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1", + "name": "Sodium diethyldithiocarbamate", + "names": [ + "Ditiocarb sodium", + "Sodium diethyldithiocarbamate" + ] + }, + { + "compound_id": "C19602", + "inchi": "InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3", + "name": "4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone", + "names": [ + "4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone", + "4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanone", + "NNK-N-oxide" + ] + }, + { + "compound_id": "C19603", + "inchi": "InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3", + "name": "4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol", + "names": [ + "4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol", + "NNAL-N-oxide" + ] + }, + { + "compound_id": "C19604", + "inchi": "InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3", + "name": "7,12-Dimethylbenz[a]anthracene 5,6-oxide", + "names": [ + "7,12-Dimethylbenz[a]anthracene 5,6-oxide", + "DMBA-5,6-epoxide" + ] + }, + { + "compound_id": "C19605", + "inchi": "InChI=1S/C16H23N3O8/c1-19(18-25)7-3-5-10(9-4-2-6-17-8-9)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2,4,6,8,10-14,16,20-22H,3,5,7H2,1H3,(H,23,24)/t10-,11-,12-,13+,14-,16+/m0/s1", + "name": "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide", + "names": [ + "4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide", + "NNAL-O-glucuronide" + ] + }, + { + "compound_id": "C19606", + "inchi": "InChI=1S/C16H23N3O8/c1-18(17-26)6-3-5-10(20)9-4-2-7-19(8-9)15-13(23)11(21)12(22)14(27-15)16(24)25/h2,4,7-8,10-15,20-23H,3,5-6H2,1H3/t10?,11-,12-,13+,14-,15+/m0/s1", + "name": "NNAL-N-glucuronide", + "names": [ + "NNAL-N-glucuronide" + ] + }, + { + "compound_id": "C19607", + "inchi": "InChI=1S/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m0/s1", + "name": "trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene", + "names": [ + "trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene", + "trans-DMBA-5,6-dihydrodiol" + ] + }, + { + "compound_id": "C19608", + "inchi": null, + "name": "Ferritin", + "names": [ + "Ferritin" + ] + }, + { + "compound_id": "C19609", + "inchi": "InChI=1S/Ni/q+2", + "name": "Nickel(2+)", + "names": [ + "Ni(II)", + "Ni2+", + "Nickel(2+)" + ] + }, + { + "compound_id": "C19610", + "inchi": "InChI=1S/Mn/q+2", + "name": "Manganese(2+)", + "names": [ + "Manganese(2+)", + "Mn(II)", + "Mn2+" + ] + }, + { + "compound_id": "C19611", + "inchi": "InChI=1S/Mn/q+3", + "name": "Manganese(3+)", + "names": [ + "Manganese(3+)", + "Mn(III)", + "Mn3+" + ] + }, + { + "compound_id": "C19612", + "inchi": "InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2/t3-,4-,5-,7-/m1/s1", + "name": "Coriose", + "names": [ + "Coriose", + "D-altro-3-Heptulose" + ] + }, + { + "compound_id": "C19613", + "inchi": "InChI=1/C18H30O3/c1-6-15(11-12-16-18(4,7-2)21-16)10-8-9-14(3)13-17(19)20-5/h10,13,16H,6-9,11-12H2,1-5H3/b14-13+,15-10+/t16-,18+/m1/s1", + "name": "Juvenile hormone I", + "names": [ + "Juvenile hormone I" + ] + }, + { + "compound_id": "C19614", + "inchi": "InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h15H,1-14H2,(H,18,19)", + "name": "16-Oxo-palmitate", + "names": [ + "16-Oxo-palmitate" + ] + }, + { + "compound_id": "C19615", + "inchi": "InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)", + "name": "Hexadecanedioate", + "names": [ + "Hexadecanedioate" + ] + }, + { + "compound_id": "C19616", + "inchi": "InChI=1S/C18H34O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,19H,3-17H2,(H,20,21)/b2-1-", + "name": "18-Hydroxyoleate", + "names": [ + "18-Hydroxyoleate" + ] + }, + { + "compound_id": "C19617", + "inchi": "InChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,17H,3-16H2,(H,20,21)/b2-1-", + "name": "18-Oxooleate", + "names": [ + "18-Oxooleate" + ] + }, + { + "compound_id": "C19618", + "inchi": "InChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1-", + "name": "Octadec-9-ene-1,18-dioic-acid", + "names": [ + "Octadec-9-ene-1,18-dioic-acid" + ] + }, + { + "compound_id": "C19619", + "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7-/t15-/m1/s1", + "name": "(+)-Germacrene D", + "names": [ + "(+)-Germacrene D" + ] + }, + { + "compound_id": "C19620", + "inchi": "InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)", + "name": "9,10-Epoxy-18-hydroxystearate", + "names": [ + "9,10-Epoxy-18-hydroxystearate" + ] + }, + { + "compound_id": "C19621", + "inchi": "InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)", + "name": "9,10,18-Trihydroxystearate", + "names": [ + "9,10,18-Trihydroxystearate" + ] + }, + { + "compound_id": "C19622", + "inchi": "InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)", + "name": "9,10-Dihydroxystearate", + "names": [ + "9,10-Dihydroxystearate" + ] + }, + { + "compound_id": "C19623", + "inchi": "InChI=1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)", + "name": "22-Hydroxydocosanoate", + "names": [ + "22-Hydroxydocosanoate" + ] + }, + { + "compound_id": "C19624", + "inchi": "InChI=1S/C22H42O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h21H,1-20H2,(H,24,25)", + "name": "22-Oxo-docosanoate", + "names": [ + "22-Oxo-docosanoate" + ] + }, + { + "compound_id": "C19625", + "inchi": "InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)", + "name": "Docosanedioate", + "names": [ + "Docosanedioate" + ] + }, + { + "compound_id": "C19630", + "inchi": null, + "name": "Diketone", + "names": [ + "Diketone" + ] + }, + { + "compound_id": "C19631", + "inchi": "InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)", + "name": "6-Hydroxy-3-succinoylpyridine", + "names": [ + "6-Hydroxy-3-succinoylpyridine" + ] + }, + { + "compound_id": "C19632", + "inchi": "InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5?,6-,7-,8-,9-,10+,11-,12+/m1/s1", + "name": "Kojibiose", + "names": [ + "2-O-alpha-D-Glucopyranosyl-D-glucose", + "Kojibiose" + ] + }, + { + "compound_id": "C19633", + "inchi": "InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h5-15,17-21H,1-3H2/t5-,6-,7-,8-,9+,10-,11?,12-/m1/s1", + "name": "Maltulose", + "names": [ + "4-O-alpha-D-Glucopyranosyl-D-fructose", + "Maltulose" + ] + }, + { + "compound_id": "C19634", + "inchi": "InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1", + "name": "Melibiulose", + "names": [ + "6-O-alpha-D-Galactopyranosyl-D-fructose", + "Melibiulose" + ] + }, + { + "compound_id": "C19635", + "inchi": "InChI=1S/C12H22O10/c1-4(15)11(7(17)5(16)2-13)22-12-10(20)9(19)8(18)6(3-14)21-12/h2,4-12,14-20H,3H2,1H3/t4-,5-,6+,7-,8+,9-,10+,11?,12-/m0/s1", + "name": "Scillabiose", + "names": [ + "6-Deoxy-4-O-beta-D-glucopyranosyl-L-mannose", + "Scillabiose" + ] + }, + { + "compound_id": "C19636", + "inchi": "InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11?,12-/m1/s1", + "name": "Turanose", + "names": [ + "3-O-alpha-D-Glucopyranosyl-D-fructose", + "D-Turanose", + "Turanose" + ] + }, + { + "compound_id": "C19637", + "inchi": "InChI=1S/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)", + "name": "Coenzyme M", + "names": [ + "2,2'-Dithiodiethanesulfonic acid", + "Coenzyme M" + ] + }, + { + "compound_id": "C19638", + "inchi": "InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2/t12-,13+,14+,15-,16-,17+/m1/s1", + "name": "5alpha-Gonane", + "names": [ + "5alpha-Gonane" + ] + }, + { + "compound_id": "C19639", + "inchi": "InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2/t12?,13-,14-,15+,16+,17-/m0/s1", + "name": "Gonane", + "names": [ + "18-Norestrane", + "Gonane" + ] + }, + { + "compound_id": "C19640", + "inchi": "InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2/t12-,13-,14-,15+,16+,17-/m0/s1", + "name": "5beta-Gonane", + "names": [ + "5beta-Gonane" + ] + }, + { + "compound_id": "C19641", + "inchi": "InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1", + "name": "Estrane", + "names": [ + "19-Norandrostane", + "Estrane" + ] + }, + { + "compound_id": "C19642", + "inchi": "InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1", + "name": "5beta-Cholanic acid", + "names": [ + "5beta-Cholanic acid", + "Ursocholanic acid" + ] + }, + { + "compound_id": "C19643", + "inchi": "InChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,13-14,17-20,25,27H,4-5,7-12H2,1-2H3/t17-,18+,19?,20?,22-,23+,24-/m0/s1", + "name": "Scillarenin", + "names": [ + "3beta,14-Dihydroxy-14beta-bufa-4,20,22-trienolide", + "Scillarenin" + ] + }, + { + "compound_id": "C19644", + "inchi": "InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "Stigmastanol", + "names": [ + "Stigmastanol", + "beta-Sitostanol" + ] + }, + { + "compound_id": "C19645", + "inchi": null, + "name": "Acceptor", + "names": [ + "Acceptor", + "Aglycon" + ] + }, + { + "compound_id": "C19646", + "inchi": null, + "name": "Acceptor beta-D-glucuronoside", + "names": [ + "Acceptor beta-D-glucuronoside" + ] + }, + { + "compound_id": "C19648", + "inchi": "InChI=1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3/t16-,18+,19+,20-,21+,22+,24+,25+,26+,27+/m1/s1", + "name": "Pseudotigogenin", + "names": [ + "(25R)-5alpha-Furost-20(22)-ene-3beta,26-diol", + "Pseudotigogenin" + ] + }, + { + "compound_id": "C19649", + "inchi": "InChI=1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3/t16-,18+,19-,20?,21-,22-,24-,25-,26-,27-/m0/s1", + "name": "Pseudosarsasapogenin", + "names": [ + "(25S)-5beta-Furost-20(22)-ene-3beta,26-diol", + "Pseudosarsasapogenin" + ] + }, + { + "compound_id": "C19650", + "inchi": "InChI=1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3/t16-,18-,19+,20-,21+,22+,24+,25+,26+,27+/m1/s1", + "name": "Pseudosmilagenin", + "names": [ + "(25R)-5beta-Furost-20(22)-ene-3beta,26-diol", + "Pseudosmilagenin" + ] + }, + { + "compound_id": "C19651", + "inchi": "InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1", + "name": "Ergostanol", + "names": [ + "(24S)-5alpha-Ergostan-3beta-ol", + "Ergostanol" + ] + }, + { + "compound_id": "C19652", + "inchi": "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,24+,26-,27-,28+/m0/s1", + "name": "alpha-Ergostenol", + "names": [ + "5alpha-Ergosta-8(14)-ene-3beta-ol", + "alpha-Ergostenol" + ] + }, + { + "compound_id": "C19653", + "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27+,28+/m0/s1", + "name": "Lumisterol", + "names": [ + "9beta,10alpha-Ergosta-5,7,22-trien-3beta-ol", + "Lumisterol" + ] + }, + { + "compound_id": "C19654", + "inchi": "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "gamma-Sitosterol", + "names": [ + "22,23-Dihydroporiferasterol", + "gamma-Sitosterol" + ] + }, + { + "compound_id": "C19655", + "inchi": "InChI=1S/C30H50O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,31H,9-17H2,1-7H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+,30+/m0/s1", + "name": "Gorgosterol", + "names": [ + "Gorgost-5-en-3beta-ol", + "Gorgosterol" + ] + }, + { + "compound_id": "C19656", + "inchi": "InChI=1S/C30H52O4/c1-16(2)18(4)27(5)14-23(27)17(3)21-8-9-22-20-12-25(33)30(34)13-19(31)10-11-29(30,7)26(20)24(32)15-28(21,22)6/h16-26,31-34H,8-15H2,1-7H3/t17-,18+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29+,30-/m0/s1", + "name": "Sarcoaldesterol A", + "names": [ + "(3beta,5alpha,6beta,11alpha)-Gorgostane-3,5,6,11-tetrol", + "Sarcoaldesterol A" + ] + }, + { + "compound_id": "C19657", + "inchi": "InChI=1S/C30H50O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h9,18-22,24-27,31H,8,10-17H2,1-7H3/t19-,20+,21-,22-,24+,25-,26-,27+,28-,29+,30+/m0/s1", + "name": "Acanthasterol", + "names": [ + "(3beta,5alpha)-Gorgost-7-en-3-ol", + "Acanthasterol" + ] + }, + { + "compound_id": "C19658", + "inchi": "InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1", + "name": "Cardanolide", + "names": [ + "Cardanolide" + ] + }, + { + "compound_id": "C19659", + "inchi": "InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,23+,24-/m1/s1", + "name": "5alpha-Cholane", + "names": [ + "5alpha-Cholane", + "Allocholane" + ] + }, + { + "compound_id": "C19660", + "inchi": "InChI=1S/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17?,18-,19+,20+,21-,23-,24+/m0/s1", + "name": "Bufanolide", + "names": [ + "Bufanolide" + ] + }, + { + "compound_id": "C19661", + "inchi": "InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "Cholestane", + "names": [ + "Cholestane" + ] + }, + { + "compound_id": "C19662", + "inchi": "InChI=1S/C27H44O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h17-24H,5-16H2,1-4H3/t17?,18-,19?,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1", + "name": "Spirostan", + "names": [ + "Spirostan" + ] + }, + { + "compound_id": "C19663", + "inchi": "InChI=1S/C27H46O/c1-17(2)9-12-23-18(3)25-24(28-23)16-22-20-11-10-19-8-6-7-14-26(19,4)21(20)13-15-27(22,25)5/h17-25H,6-16H2,1-5H3/t18-,19?,20-,21+,22+,23?,24+,25+,26+,27+/m1/s1", + "name": "Furostan", + "names": [ + "Furostan" + ] + }, + { + "compound_id": "C19664", + "inchi": "InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21+,22?,23-,24+,25-,26-,27-,28+/m0/s1", + "name": "Ergostane", + "names": [ + "Ergostane" + ] + }, + { + "compound_id": "C19665", + "inchi": "InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1", + "name": "5alpha-Campestane", + "names": [ + "(24R)-24-Methyl-5alpha-cholestane", + "5alpha-Campestane" + ] + }, + { + "compound_id": "C19666", + "inchi": "InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "Stigmastane", + "names": [ + "Stigmastane" + ] + }, + { + "compound_id": "C19667", + "inchi": "InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1", + "name": "5alpha-Poriferastane", + "names": [ + "5alpha-Poriferastane" + ] + }, + { + "compound_id": "C19668", + "inchi": "InChI=1S/C30H52/c1-19(2)21(4)30(7)18-27(30)20(3)24-13-14-25-23-12-11-22-10-8-9-16-28(22,5)26(23)15-17-29(24,25)6/h19-27H,8-18H2,1-7H3/t20-,21+,22?,23-,24+,25-,26-,27+,28-,29+,30+/m0/s1", + "name": "Gorgostane", + "names": [ + "Gorgostane" + ] + }, + { + "compound_id": "C19669", + "inchi": "InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2", + "name": "Thermospermine", + "names": [ + "Thermospermine" + ] + }, + { + "compound_id": "C19670", + "inchi": "InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-", + "name": "Oleamide", + "names": [ + "(Z)-9-Octadecenamide", + "Oleamide", + "Oleyl amide" + ] + }, + { + "compound_id": "C19671", + "inchi": null, + "name": "Amicyanin", + "names": [ + "Amicyanin" + ] + }, + { + "compound_id": "C19672", + "inchi": null, + "name": "Reduced amicyanin", + "names": [ + "Reduced amicyanin" + ] + }, + { + "compound_id": "C19673", + "inchi": "InChI=1S/C25H40N7O19P3S/c1-25(2,20(37)23(38)28-5-4-14(33)27-6-7-55-16(35)8-15(34)46-3)10-48-54(44,45)51-53(42,43)47-9-13-19(50-52(39,40)41)18(36)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,36-37H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,18-,19-,20?,24-/m1/s1", + "name": "Malonyl-CoA methyl ester", + "names": [ + "Malonyl-CoA methyl ester" + ] + }, + { + "compound_id": "C19674", + "inchi": "InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-/m1/s1", + "name": "D-Arabinitol 1-phosphate", + "names": [ + "D-Arabinitol 1-phosphate", + "D-Arabitol 1-phosphate" + ] + }, + { + "compound_id": "C19675", + "inchi": "InChI=1S/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/t3-/m1/s1", + "name": "(R)-2,3-Dihydroxypropane-1-sulfonate", + "names": [ + "(R)-2,3-Dihydroxypropane-1-sulfonate" + ] + }, + { + "compound_id": "C19676", + "inchi": "InChI=1S/C15H24O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15-16H,3-4,6-7,9-11H2,1-2H3/b12-5-,13-8+/t15-/m1/s1", + "name": "Germacra-1(10),4,11(13)-trien-12-ol", + "names": [ + "Germacra-1(10),4,11(13)-trien-12-ol" + ] + }, + { + "compound_id": "C19677", + "inchi": "InChI=1S/C15H22O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,11,15H,3-4,6-7,9-10H2,1-2H3/b12-5-,13-8+/t15-/m1/s1", + "name": "Germacra-1(10),4,11(13)-trien-12-al", + "names": [ + "Germacra-1(10),4,11(13)-trien-12-al" + ] + }, + { + "compound_id": "C19678", + "inchi": "InChI=1S/C15H22O2/c1-11-5-4-6-12(2)8-10-14(9-7-11)13(3)15(16)17/h5,8,14H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/b11-5-,12-8+/t14-/m1/s1", + "name": "Germacrene A acid", + "names": [ + "Germacra-1(10),4,11(13)-trien-12-oate", + "Germacrene A acid" + ] + }, + { + "compound_id": "C19679", + "inchi": "InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5+,6+/m0/s1", + "name": "L-Sorbosone", + "names": [ + "1-Dehydro-L-sorbose", + "L-Sorbosone" + ] + }, + { + "compound_id": "C19680", + "inchi": "InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3", + "name": "N,N-Dimethyl-4-nitrosoaniline", + "names": [ + "Accelerine", + "N,N-Dimethyl-4-nitrosoaniline" + ] + }, + { + "compound_id": "C19681", + "inchi": "InChI=1S/C8H12N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6,9,11H,1-2H3", + "name": "4-(Hydroxylamino)-N,N-dimethylaniline", + "names": [ + "4-(Dimethylamino)-N-hydroxyaniline", + "4-(Hydroxylamino)-N,N-dimethylaniline" + ] + }, + { + "compound_id": "C19682", + "inchi": "InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b4-3-/t15-,20-,21-,22?,26-/m1/s1", + "name": "3,4-Didehydroadipyl-CoA", + "names": [ + "3,4-Didehydroadipyl-CoA", + "cis-3,4-Dehydroadipyl-CoA" + ] + }, + { + "compound_id": "C19683", + "inchi": "InChI=1S/C27H42N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19)34/h3-4,10,14-16,20-22,26,38-39H,5-9,11-13H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/b4-3-/t16-,20-,21-,22?,26-/m1/s1", + "name": "3,4-Didehydroadipyl-CoA semialdehyde", + "names": [ + "3,4-Didehydroadipyl-CoA semialdehyde", + "cis-3,4-Dehydroadipyl-CoA semialdehyde" + ] + }, + { + "compound_id": "C19684", + "inchi": "InChI=1S/C28H42N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(37)30-8-9-58-27(42)14-4-3-5-15(36)19(14)38)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-18-23(29)32-12-33-24(18)35/h3-5,12-13,15-16,19-22,26,36,38-40H,6-11H2,1-2H3,(H,30,37)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t15?,16-,19?,20-,21-,22?,26-/m1/s1", + "name": "2,3-Dihydro-2,3-dihydroxybenzoyl-CoA", + "names": [ + "2,3-Dihydro-2,3-dihydroxybenzoyl-CoA" + ] + }, + { + "compound_id": "C19685", + "inchi": "InChI=1S/C23H38N7O20P3S2/c1-23(2,18(34)21(35)26-4-3-13(31)25-5-6-54-14(32)8-55(43,44)45)9-47-53(41,42)50-52(39,40)46-7-12-17(49-51(36,37)38)16(33)22(48-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,33-34H,3-9H2,1-2H3,(H,25,31)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)(H,43,44,45)/t12-,16-,17-,18?,22-/m1/s1", + "name": "Sulfoacetyl-CoA", + "names": [ + "Sulfoacetyl-CoA" + ] + }, + { + "compound_id": "C19686", + "inchi": "InChI=1S/C10H9NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4H,1,11H2,(H,12,13)(H,14,15)", + "name": "3-(1-Carboxyvinyloxy)anthranilate", + "names": [ + "2-Amino-3-[(1-carboxyethenyl)oxy]benzoate", + "3-(1-Carboxyvinyloxy)anthranilate" + ] + }, + { + "compound_id": "C19687", + "inchi": "InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1", + "name": "7-Chloro-L-tryptophan", + "names": [ + "7-Chloro-L-tryptophan" + ] + }, + { + "compound_id": "C19688", + "inchi": "InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,13-14H,4H2,(H,15,16)", + "name": "2-Imino-3-(7-chloroindol-3-yl)propanoate", + "names": [ + "2-Imino-3-(7-chloroindol-3-yl)propanoate", + "7-Chlorodehydrotryptophan" + ] + }, + { + "compound_id": "C19689", + "inchi": "InChI=1S/C10H18N4O5S/c11-5(10(18)19)1-2-8(16)14-6(4-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1", + "name": "Glutathione amide", + "names": [ + "Glutathione amide", + "L-gamma-Glutamyl-L-cysteinylglycinamide" + ] + }, + { + "compound_id": "C19690", + "inchi": "InChI=1S/C20H34N8O10S2/c21-9(19(35)36)1-3-15(31)27-11(17(33)25-5-13(23)29)7-39-40-8-12(18(34)26-6-14(24)30)28-16(32)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H2,23,29)(H2,24,30)(H,25,33)(H,26,34)(H,27,31)(H,28,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1", + "name": "Glutathione amide disulfide", + "names": [ + "Glutathione amide disulfide" + ] + }, + { + "compound_id": "C19691", + "inchi": "InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1", + "name": "Farnesylcysteine", + "names": [ + "Farnesylcysteine", + "S-(2E,6E)-Farnesyl-L-cysteine", + "S-trans-trans-Farnesylcysteine" + ] + }, + { + "compound_id": "C19692", + "inchi": null, + "name": "Polysulfide", + "names": [ + "Polysulfide" + ] + }, + { + "compound_id": "C19693", + "inchi": "InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)", + "name": "Reactive Blue 5", + "names": [ + "Reactive Blue 5" + ] + }, + { + "compound_id": "C19694", + "inchi": "InChI=1S/C6H11NO4/c1-3(7)6(10)11-4(2)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)/t3-,4-/m1/s1", + "name": "D-Alanyl-(R)-lactate", + "names": [ + "(2R)-2-(D-Alanyloxy)propanoic acid", + "(R)-2-[(R)-2-Aminopropanoyloxy]propanoic acid", + "D-Alanyl-(R)-lactate", + "D-Alanyl-D-lactate" + ] + }, + { + "compound_id": "C19695", + "inchi": "InChI=1S/C39H66N8O20/c1-15(32(55)43-17(3)36(59)60)42-35(58)21(9-7-8-12-40)46-25(52)11-10-22(37(61)62)47-33(56)16(2)41-34(57)18(4)64-31-27(45-20(6)51)38(63)65-24(14-49)30(31)67-39-26(44-19(5)50)29(54)28(53)23(13-48)66-39/h15-18,21-24,26-31,38-39,48-49,53-54,63H,7-14,40H2,1-6H3,(H,41,57)(H,42,58)(H,43,55)(H,44,50)(H,45,51)(H,46,52)(H,47,56)(H,59,60)(H,61,62)/t15-,16+,17-,18-,21+,22-,23-,24-,26-,27-,28-,29-,30?,31-,38?,39?/m1/s1", + "name": "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n", + "names": [ + "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)]n" + ] + }, + { + "compound_id": "C19696", + "inchi": "InChI=1S/C43H71N9O23/c1-16(35(61)48-18(3)39(65)66)47-38(64)23(9-7-8-12-45-28(58)13-22(44)40(67)68)51-27(57)11-10-24(41(69)70)52-36(62)17(2)46-37(63)19(4)72-34-30(50-21(6)56)42(71)73-26(15-54)33(34)75-43-29(49-20(5)55)32(60)31(59)25(14-53)74-43/h16-19,22-26,29-34,42-43,53-54,59-60,71H,7-15,44H2,1-6H3,(H,45,58)(H,46,63)(H,47,64)(H,48,61)(H,49,55)(H,50,56)(H,51,57)(H,52,62)(H,65,66)(H,67,68)(H,69,70)/t16-,17+,18-,19-,22-,23+,24-,25-,26-,29-,30-,31-,32-,33?,34-,42?,43?/m1/s1", + "name": "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-6-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n", + "names": [ + "[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-6-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n" + ] + }, + { + "compound_id": "C19697", + "inchi": "InChI=1S/ClHO/c1-2/h2H", + "name": "Hypochlorous acid", + "names": [ + "Hypochlorous acid" + ] + }, + { + "compound_id": "C19698", + "inchi": "InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)", + "name": "3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate", + "names": [ + "3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate", + "Dichlorochromopyrrolate" + ] + }, + { + "compound_id": "C19699", + "inchi": "InChI=1S/C20H9Cl2N3O2/c21-9-5-1-3-7-11-13-14(20(27)25-19(13)26)12-8-4-2-6-10(22)16(8)24-18(12)17(11)23-15(7)9/h1-6,23-24H,(H,25,26,27)", + "name": "Dichloroarcyriaflavin A", + "names": [ + "Dichloroarcyriaflavin A", + "Rebeccamycin aglycon" + ] + }, + { + "compound_id": "C19700", + "inchi": "InChI=1S/C26H19Cl2N3O7/c27-10-5-1-3-8-13-15-16(25(37)30-24(15)36)14-9-4-2-6-11(28)19(9)31(20(14)18(13)29-17(8)10)26-23(35)22(34)21(33)12(7-32)38-26/h1-6,12,21-23,26,29,32-35H,7H2,(H,30,36,37)/t12-,21-,22+,23-,26-/m1/s1", + "name": "4'-O-Demethylrebeccamycin", + "names": [ + "4'-O-Demethylrebeccamycin" + ] + }, + { + "compound_id": "C19701", + "inchi": "InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1", + "name": "Rebeccamycin", + "names": [ + "Rebeccamycin" + ] + }, + { + "compound_id": "C19702", + "inchi": "InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8+,9-,10-,11?,12?/m1/s1", + "name": "1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol", + "names": [ + "1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol" + ] + }, + { + "compound_id": "C19703", + "inchi": "InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13?,15?/m0/s1", + "name": "1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol", + "names": [ + "1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol", + "Desacetylmycothiol" + ] + }, + { + "compound_id": "C19704", + "inchi": "InChI=1S/C33H40N4O6/c1-7-18-14(3)22(12-25-19(8-2)16(5)32(41)36-25)34-24(18)13-23-17(6)28-26(38)11-21(31(28)35-23)30-20(9-10-27(39)40)15(4)29(37-30)33(42)43/h8,15,20,25,29,34-35,37H,2,7,9-13H2,1,3-6H3,(H,36,41)(H,39,40)(H,42,43)/b30-21-/t15-,20-,25?,29-/m0/s1", + "name": "Dinoflagellate luciferin", + "names": [ + "Dinoflagellate luciferin" + ] + }, + { + "compound_id": "C19705", + "inchi": "InChI=1S/C33H38N4O7/c1-7-17-13(3)20(11-23-18(8-2)15(5)32(42)36-23)34-22(17)12-21-16(6)25-29(35-21)26(31(41)30(25)40)28-19(9-10-24(38)39)14(4)27(37-28)33(43)44/h8,14,19,23,27,34-35,37H,2,7,9-12H2,1,3-6H3,(H,36,42)(H,38,39)(H,43,44)/b28-26+/t14-,19-,23?,27-/m0/s1", + "name": "Oxidized dinoflagellate luciferin", + "names": [ + "Oxidized dinoflagellate luciferin" + ] + }, + { + "compound_id": "C19706", + "inchi": "InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1", + "name": "cis-3-Hydroxy-L-proline", + "names": [ + "cis-3-Hydroxy-L-proline", + "cis-3-Hydroxyproline" + ] + }, + { + "compound_id": "C19707", + "inchi": "InChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m0/s1", + "name": "(+)-Columbianetin", + "names": [ + "(+)-Columbianetin" + ] + }, + { + "compound_id": "C19708", + "inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15-/m1/s1", + "name": "5-Epiaristolochene", + "names": [ + "(+)-5-Epiaristolochene", + "(+)-5-epi-Aristolochene", + "5-Epiaristolochene", + "5-epi-Aristolochene" + ] + }, + { + "compound_id": "C19709", + "inchi": "", + "name": "[L-Asp(4-L-Arg)]n", + "names": [ + "[L-Asp(4-L-Arg)]n" + ] + }, + { + "compound_id": "C19710", + "inchi": "", + "name": "[L-Asp(4-L-Arg)]n-L-Asp", + "names": [ + "[L-Asp(4-L-Arg)]n-L-Asp" + ] + }, + { + "compound_id": "C19711", + "inchi": "InChI=1S/C15H24O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/t12-,13-,14-,15-/m1/s1", + "name": "Solavetivol", + "names": [ + "Solavetivol" + ] + }, + { + "compound_id": "C19712", + "inchi": "InChI=1S/C9H11NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,8,10,13H,6H2,(H,11,12)/t8-/m0/s1", + "name": "N-Hydroxy-L-phenylalanine", + "names": [ + "2-(Hydroxyamino)-3-phenylpropanoate", + "N-Hydroxy-L-phenylalanine" + ] + }, + { + "compound_id": "C19713", + "inchi": "", + "name": "[L-Asp(4-L-Arg)]n+1", + "names": [ + "[L-Asp(4-L-Arg)]n+1" + ] + }, + { + "compound_id": "C19714", + "inchi": "InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+", + "name": "(E)-Phenylacetaldoxime", + "names": [ + "(E)-Phenylacetaldehyde oxime", + "(E)-Phenylacetaldoxime" + ] + }, + { + "compound_id": "C19715", + "inchi": "InChI=1S/C9H11NO4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,11,12)/t8-/m0/s1", + "name": "N,N-Dihydroxy-L-phenylalanine", + "names": [ + "N,N-Dihydroxy-L-phenylalanine" + ] + }, + { + "compound_id": "C19716", + "inchi": "InChI=1S/C11H12N2O3/c14-11(15)10(13-16)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13,16H,5H2,(H,14,15)/t10-/m0/s1", + "name": "N-Hydroxy-L-tryptophan", + "names": [ + "N-Hydroxy-L-tryptophan" + ] + }, + { + "compound_id": "C19717", + "inchi": "InChI=1S/C11H12N2O4/c14-11(15)10(13(16)17)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12,16-17H,5H2,(H,14,15)/t10-/m0/s1", + "name": "N,N-Dihydroxy-L-tryptophan", + "names": [ + "N,N-Dihydroxy-L-tryptophan" + ] + }, + { + "compound_id": "C19718", + "inchi": "InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+", + "name": "(E)-Indol-3-ylacetaldoxime", + "names": [ + "(E)-Indol-3-ylacetaldoxime", + "(E)-Indole-3-acetaldehyde oxime" + ] + }, + { + "compound_id": "C19719", + "inchi": "InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m1/s1", + "name": "D-Alanyl-D-serine", + "names": [ + "D-Alanyl-D-serine" + ] + }, + { + "compound_id": "C19720", + "inchi": "InChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/t14-,15+,17+,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1", + "name": "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-D-lysine", + "names": [ + "UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-D-lysine" + ] + }, + { + "compound_id": "C19721", + "inchi": "InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-2,6-7H,(H,8,9)", + "name": "5-Hydroxypyrrole-2-carboxylate", + "names": [ + "5-Hydroxypyrrole-2-carboxylate" + ] + }, + { + "compound_id": "C19722", + "inchi": null, + "name": "[tRNA(Ile2)]-cytidine34", + "names": [ + "[tRNA(Ile2)]-cytidine34" + ] + }, + { + "compound_id": "C19723", + "inchi": null, + "name": "[tRNA(Ile2)]-lysidine34", + "names": [ + "[tRNA(Ile2)]-lysidine34" + ] + }, + { + "compound_id": "C19724", + "inchi": "InChI=1S/C45H61N5O13.Co/c1-21-36-24(10-13-31(54)55)41(3,4)28(48-36)18-27-23(9-12-30(52)53)43(6,19-29(46)51)39(47-27)22(2)37-25(11-14-32(56)57)44(7,20-35(62)63)45(8,50-37)40-26(17-34(60)61)42(5,38(21)49-40)16-15-33(58)59;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1", + "name": "Cobyrinate c-monamide", + "names": [ + "Cobyrinate c-monamide", + "Cobyrinic acid c-monoamide" + ] + }, + { + "compound_id": "C19725", + "inchi": "InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11-,12-,13+,14-,15+,16-,18-/m1/s1", + "name": "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate", + "names": [ + "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate", + "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronic acid", + "UDP-alpha-D-GlcNAc3NAcA" + ] + }, + { + "compound_id": "C19726", + "inchi": "InChI=1S/C21H30O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20+,21-/m1/s1", + "name": "15beta-Hydroxyprogesterone", + "names": [ + "15beta-Hydroxypregn-4-ene-3,20-dione", + "15beta-Hydroxyprogesterone" + ] + }, + { + "compound_id": "C19727", + "inchi": "InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2", + "name": "5-Hydroxypseudobaptigenin", + "names": [ + "5,7-Dihydroxy-3',4'-methylenedioxyisoflavone", + "5-Hydroxypseudobaptigenin" + ] + }, + { + "compound_id": "C19728", + "inchi": "InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+", + "name": "all-trans-8'-Apo-beta-carotenal", + "names": [ + "8'-Apo-beta-carotenal", + "all-trans-8'-Apo-beta-carotenal" + ] + }, + { + "compound_id": "C19729", + "inchi": "InChI=1S/C10H12O2/c1-9(6-7-11)4-3-5-10(2)8-12/h3-8H,1-2H3/b4-3+,9-6+,10-5+", + "name": "(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial", + "names": [ + "(2E,4E,6E)-2,6-Dimethylocta-2,4,6-trienedial" + ] + }, + { + "compound_id": "C19730", + "inchi": "InChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+", + "name": "Crocetin dialdehyde", + "names": [ + "Crocetin dialdehyde" + ] + }, + { + "compound_id": "C19731", + "inchi": "InChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h6,8,12H,4-5H2,1-3H3/t8-/m1/s1", + "name": "(3S)-3-Hydroxycyclocitral", + "names": [ + "(3S)-3-Hydroxycyclocitral" + ] + }, + { + "compound_id": "C19732", + "inchi": "InChI=1S/C30H50O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1", + "name": "24-Hydroxy-beta-amyrin", + "names": [ + "24-Hydroxy-beta-amyrin", + "Olean-12-ene-3beta,24-diol" + ] + }, + { + "compound_id": "C19733", + "inchi": "InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1", + "name": "Sophoradiol", + "names": [ + "Olean-12-ene-3beta,22beta-diol", + "Sophoradiol" + ] + }, + { + "compound_id": "C19734", + "inchi": "InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1", + "name": "(-)-alpha-Gurjunene", + "names": [ + "(-)-alpha-Gurjunene" + ] + }, + { + "compound_id": "C19735", + "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1", + "name": "(-)-endo-alpha-Bergamotene", + "names": [ + "(-)-endo-alpha-Bergamotene" + ] + }, + { + "compound_id": "C19736", + "inchi": "InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13?,14+,15?/m0/s1", + "name": "(+)-alpha-Santalene", + "names": [ + "(+)-alpha-Santalene" + ] + }, + { + "compound_id": "C19737", + "inchi": "InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15-/m0/s1", + "name": "(+)-endo-beta-Bergamotene", + "names": [ + "(+)-endo-beta-Bergamotene" + ] + }, + { + "compound_id": "C19738", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1", + "name": "(-)-gamma-Cadinene", + "names": [ + "(-)-gamma-Cadinene" + ] + }, + { + "compound_id": "C19739", + "inchi": "InChI=1S/C16H12O7/c1-22-14-3-7(2-11(20)16(14)21)12-6-10(19)15-9(18)4-8(17)5-13(15)23-12/h2-6,17-18,20-21H,1H3", + "name": "3'-O-Methyltricetin", + "names": [ + "3'-O-Methyltricetin", + "Selagin", + "Tricetin 3'-methyl ether" + ] + }, + { + "compound_id": "C19740", + "inchi": "InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-4H3/t12?,13-,14+,15-/m1/s1", + "name": "(+)-alpha-Barbatene", + "names": [ + "(+)-alpha-Barbatene" + ] + }, + { + "compound_id": "C19741", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13+,15+/m0/s1", + "name": "(+)-Cubenene", + "names": [ + "(+)-Cubenene" + ] + }, + { + "compound_id": "C19742", + "inchi": "InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3/t15-/m1/s1", + "name": "(+)-delta-Selinene", + "names": [ + "(+)-delta-Selinene" + ] + }, + { + "compound_id": "C19743", + "inchi": "InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1", + "name": "Drimenol", + "names": [ + "Drimenol" + ] + }, + { + "compound_id": "C19744", + "inchi": "InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m0/s1", + "name": "(+)-Epicubenol", + "names": [ + "(+)-Epicubenol" + ] + }, + { + "compound_id": "C19745", + "inchi": "InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1", + "name": "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronate", + "names": [ + "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronate", + "UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid", + "UDP-alpha-D-ManNAc3NAcA" + ] + }, + { + "compound_id": "C19746", + "inchi": "InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1", + "name": "(3R,6E)-Nerolidol", + "names": [ + "(3R,6E)-Nerolidol" + ] + }, + { + "compound_id": "C19747", + "inchi": "InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6-,14-9+,15-11+", + "name": "Germacrene C", + "names": [ + "Germacrene C" + ] + }, + { + "compound_id": "C19748", + "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-", + "name": "(E)-gamma-Bisabolene", + "names": [ + "(E)-gamma-Bisabolene" + ] + }, + { + "compound_id": "C19749", + "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+", + "name": "(E)-alpha-Bisabolene", + "names": [ + "(E)-alpha-Bisabolene" + ] + }, + { + "compound_id": "C19750", + "inchi": "InChI=1S/C12H10O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8,13-14H", + "name": "3,5-Dihydroxybiphenyl", + "names": [ + "3,5-Biphenyldiol", + "3,5-Dihydroxybiphenyl", + "5-Phenylresorcinol" + ] + }, + { + "compound_id": "C19751", + "inchi": "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1", + "name": "(S)-beta-Bisabolene", + "names": [ + "(S)-beta-Bisabolene" + ] + }, + { + "compound_id": "C19752", + "inchi": "InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3/t13-/m1/s1", + "name": "(S)-beta-Macrocarpene", + "names": [ + "(S)-beta-Macrocarpene" + ] + }, + { + "compound_id": "C19753", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3/t12-,13-,14+/m0/s1", + "name": "cis-Muurola-3,5-diene", + "names": [ + "cis-Muurola-3,5-diene" + ] + }, + { + "compound_id": "C19754", + "inchi": "InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13-,14+/m0/s1", + "name": "cis-Muurola-4(14),5-diene", + "names": [ + "cis-Muurola-4(14),5-diene" + ] + }, + { + "compound_id": "C19755", + "inchi": "InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14?,15+/m0/s1", + "name": "Patchoulol", + "names": [ + "Patchoulol" + ] + }, + { + "compound_id": "C19756", + "inchi": "InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15-/m1/s1", + "name": "Presilphiperfolan-8beta-ol", + "names": [ + "Presilphiperfolan-8beta-ol" + ] + }, + { + "compound_id": "C19757", + "inchi": "InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-", + "name": "(Z)-3-Hexen-1-ol acetate", + "names": [ + "(3Z)-Hex-3-en-1-yl acetate", + "(Z)-3-Hexen-1-ol acetate", + "cis-3-Hexenyl acetate" + ] + }, + { + "compound_id": "C19758", + "inchi": "InChI=1S/C12H22O10/c1-3-10(7(16)8(17)11(19)20-3)22-12-9(18)6(15)5(14)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4+,5-,6-,7-,8+,9+,10-,11?,12-/m0/s1", + "name": "beta-D-Galactosyl-(1->4)-L-rhamnose", + "names": [ + "beta-D-Galactosyl-(1->4)-L-rhamnose" + ] + }, + { + "compound_id": "C19759", + "inchi": "InChI=1S/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", + "name": "7,9,9'-tricis-Neurosporene", + "names": [ + "7,9,9'-tri-cis-Neurosporene", + "7,9,9'-tricis-Neurosporene" + ] + }, + { + "compound_id": "C19760", + "inchi": "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-", + "name": "(2Z,6Z)-Farnesyl diphosphate", + "names": [ + "(2Z,6Z)-Farnesyl diphosphate" + ] + }, + { + "compound_id": "C19761", + "inchi": "InChI=1S/C14H26NO14P/c1-3(17)15-5-7(19)6(18)4(2-16)27-14(5)28-12-9(21)8(20)10(22)13(11(12)23)29-30(24,25)26/h4-14,16,18-23H,2H2,1H3,(H,15,17)(H2,24,25,26)/t4-,5-,6-,7-,8-,9-,10+,11+,12?,13-,14?/m1/s1", + "name": "1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate", + "names": [ + "1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate" + ] + }, + { + "compound_id": "C19762", + "inchi": "InChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/p+1/t16-,17-,18+,19+,20+,21-,23+,24?,26?,27-/m1/s1", + "name": "Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside", + "names": [ + "Cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside" + ] + }, + { + "compound_id": "C19763", + "inchi": "InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22+,23+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1", + "name": "Soyasapogenol B 3-O-D-glucuronide", + "names": [ + "Soyasapogenol B 3-O-D-glucuronide" + ] + }, + { + "compound_id": "C19764", + "inchi": "InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", + "name": "9,15,9'-tricis-zeta-Carotene", + "names": [ + "9,15,9'-tricis-zeta-Carotene" + ] + }, + { + "compound_id": "C19765", + "inchi": "InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-", + "name": "15,9'-dicis-Phytofluene", + "names": [ + "15,9'-dicis-Phytofluene" + ] + }, + { + "compound_id": "C19766", + "inchi": "InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1", + "name": "5'-Deoxy-5'-fluoroadenosine", + "names": [ + "5'-Deoxy-5'-fluoroadenosine" + ] + }, + { + "compound_id": "C19767", + "inchi": "InChI=1S/C16H20N2O2/c1-10(2)6-7-11-4-3-5-13-12(9-18-15(11)13)8-14(17)16(19)20/h3-6,9,14,18H,7-8,17H2,1-2H3,(H,19,20)/t14-/m0/s1", + "name": "7-(3-Methylbut-2-enyl)-L-tryptophan", + "names": [ + "7-(3-Methylbut-2-enyl)-L-tryptophan" + ] + }, + { + "compound_id": "C19768", + "inchi": "InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1", + "name": "5-Deoxy-5-chloroadenosine", + "names": [ + "5-Deoxy-5-chloroadenosine" + ] + }, + { + "compound_id": "C19769", + "inchi": "InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4?,6-,7-,8-,9-,11-/m1/s1", + "name": "1,6-Anhydro-N-acetyl-beta-muramate", + "names": [ + "1,6-Anhydro-N-acetyl-beta-muramate" + ] + }, + { + "compound_id": "C19770", + "inchi": "InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4?,6-,7-,8-,9-,11-/m1/s1", + "name": "N-Acetyl-beta-muramate 6-phosphate", + "names": [ + "N-Acetyl-beta-muramate 6-phosphate" + ] + }, + { + "compound_id": "C19771", + "inchi": "InChI=1S/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/t12-,13-,16-,17-,18-,19-,20?,24-,25?/m1/s1", + "name": "2'-(5-Triphosphoribosyl)-3'-dephospho-CoA", + "names": [ + "2'-(5-Triphosphoribosyl)-3'-dephospho-CoA" + ] + }, + { + "compound_id": "C19772", + "inchi": "InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,44-45H2,1-12H3,(H,66,67)(H,68,69)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-,61-/m1/s1", + "name": "alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "alpha-D-Glucopyranosyl-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C19773", + "inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10?,11+,12?/m1/s1", + "name": "3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose", + "names": [ + "3-O-alpha-D-Mannopyranosyl-alpha-D-mannopyranose" + ] + }, + { + "compound_id": "C19774", + "inchi": "InChI=1S/C17H31O18P/c18-1-5-9(22)14(13(26)15(27)32-5)34-17-12(25)10(23)8(21)6(33-17)3-31-36(28,29)35-16-11(24)7(20)4(19)2-30-16/h4-27H,1-3H2,(H,28,29)/t4-,5-,6-,7+,8-,9-,10+,11-,12+,13+,14?,15+,16-,17?/m1/s1", + "name": "3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose", + "names": [ + "3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose" + ] + }, + { + "compound_id": "C19775", + "inchi": "InChI=1S/C23H37FN7O17P3S/c1-23(2,18(35)21(36)27-4-3-13(32)26-5-6-52-14(33)7-24)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t12-,16-,17-,18?,22-/m1/s1", + "name": "Fluoroacetyl-CoA", + "names": [ + "Fluoroacetyl-CoA", + "Fluoroacetyl-coenzyme A" + ] + }, + { + "compound_id": "C19776", + "inchi": null, + "name": "1,2-Diacyl-sn-glycerol 3-diphosphate", + "names": [ + "1,2-Diacyl-sn-glycerol 3-diphosphate" + ] + }, + { + "compound_id": "C19777", + "inchi": "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1", + "name": "L-Homoserine lactone", + "names": [ + "L-Homoserine lactone" + ] + }, + { + "compound_id": "C19778", + "inchi": "InChI=1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)/t4-/m1/s1", + "name": "(R)-Piperazine-2-carboxamide", + "names": [ + "(R)-Piperazine-2-carboxamide" + ] + }, + { + "compound_id": "C19779", + "inchi": "InChI=1S/C3H8N2O/c4-2-1-3(5)6/h1-2,4H2,(H2,5,6)", + "name": "beta-Alaninamide", + "names": [ + "3-Aminopropionamide", + "beta-Alaninamide", + "beta-Alanine amide" + ] + }, + { + "compound_id": "C19780", + "inchi": "InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m1/s1", + "name": "(R)-Piperazine-2-carboxylic acid", + "names": [ + "(R)-2-Piperazinecarboxylate", + "(R)-Piperazine-2-carboxylic acid" + ] + }, + { + "compound_id": "C19781", + "inchi": "InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1", + "name": "L-Prolinamide", + "names": [ + "(S)-Pyrrolidine-2-carboxamide", + "L-Prolinamide" + ] + }, + { + "compound_id": "C19782", + "inchi": "InChI=1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)/t4-/m0/s1", + "name": "(S)-Piperazine-2-carboxamide", + "names": [ + "(S)-Piperazine-2-carboxamide" + ] + }, + { + "compound_id": "C19783", + "inchi": "InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1", + "name": "(S)-Piperazine-2-carboxylic acid", + "names": [ + "(S)-2-Piperazinecarboxylate", + "(S)-Piperazine-2-carboxylic acid" + ] + }, + { + "compound_id": "C19784", + "inchi": "InChI=1S/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17)/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13?,14?/m1/s1", + "name": "1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol", + "names": [ + "1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol", + "1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol" + ] + }, + { + "compound_id": "C19785", + "inchi": "InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1", + "name": "Streptothricin F", + "names": [ + "Racemomycin A", + "Streptothricin F" + ] + }, + { + "compound_id": "C19786", + "inchi": "InChI=1S/C19H36N8O9/c20-3-1-2-7(22)4-10(30)24-13-14(31)15(36-18(23)34)9(6-28)35-16(13)27-19-25-11(8(29)5-21)12(26-19)17(32)33/h7-9,11-16,28-29,31H,1-6,20-22H2,(H2,23,34)(H,24,30)(H,32,33)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,16+/m0/s1", + "name": "streptothricin F acid", + "names": [ + "streptothricin F acid" + ] + }, + { + "compound_id": "C19787", + "inchi": "InChI=1S/C11H14N4O4S/c1-20-2-5-7(16)8(17)11(19-5)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1", + "name": "5'-S-Methyl-5'-thioinosine", + "names": [ + "5'-Deoxy-5'-methylthioinosine", + "5'-S-Methyl-5'-thioinosine", + "S-Methyl-5'-thioinosine" + ] + }, + { + "compound_id": "C19788", + "inchi": "InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)", + "name": "5-Nitroanthranilate", + "names": [ + "2-Amino-5-nitrobenzoate", + "5-Nitroanthranilate" + ] + }, + { + "compound_id": "C19789", + "inchi": "InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)", + "name": "5-Nitrosalicylate", + "names": [ + "2-Hydroxy-5-nitrobenzoate", + "5-Nitrosalicylate" + ] + }, + { + "compound_id": "C19790", + "inchi": null, + "name": "Reduced flavin", + "names": [ + "Reduced flavin" + ] + }, + { + "compound_id": "C19791", + "inchi": "InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4?,5-,6+,7-,9?/m1/s1", + "name": "2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate", + "names": [ + "(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoate", + "2-O-(alpha-D-Glucopyranosyl)-3-phospho-D-glycerate" + ] + }, + { + "compound_id": "C19792", + "inchi": "InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4?,5-,6+,7-,9?/m1/s1", + "name": "2-O-(alpha-D-Glucopyranosyl)-D-glycerate", + "names": [ + "(R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoate", + "2-O-(alpha-D-Glucopyranosyl)-D-glycerate" + ] + }, + { + "compound_id": "C19793", + "inchi": "InChI=1S/C15H27O17P/c16-1-4-7(18)9(20)11(22)14(29-4)32-12-10(21)8(19)5(2-17)30-15(12)31-6(13(23)24)3-28-33(25,26)27/h4-12,14-22H,1-3H2,(H,23,24)(H2,25,26,27)/t4-,5-,6?,7-,8-,9+,10+,11+,12?,14?,15?/m1/s1", + "name": "2-O-[2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl]-3-phospho-D-glycerate", + "names": [ + "2-O-[2-O-(alpha-D-Mannopyranosyl)-alpha-D-glucopyranosyl]-3-phospho-D-glycerate" + ] + }, + { + "compound_id": "C19794", + "inchi": "InChI=1S/C15H25N3O16P2/c16-5-1-2-18(15(26)17-5)14-12(25)6(19)4(32-14)3-31-35(27,28)34-36(29,30)33-13-10(23)8(21)7(20)9(22)11(13)24/h1-2,4,6-14,19-25H,3H2,(H,27,28)(H,29,30)(H2,16,17,26)/t4-,6-,7-,8-,9+,10+,11+,12-,13-,14-/m1/s1", + "name": "CDP-1L-myo-inositol", + "names": [ + "CDP-1L-myo-inositol" + ] + }, + { + "compound_id": "C19795", + "inchi": "InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+", + "name": "1-Hydroxy-1,2-dihydrolycopene", + "names": [ + "1-Hydroxy-1,2-dihydrolycopene" + ] + }, + { + "compound_id": "C19796", + "inchi": "InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27+/m0/s1", + "name": "Quercetin 3-O-rhamnoside 7-O-glucoside", + "names": [ + "Quercetin 3-O-rhamnoside 7-O-glucoside" + ] + }, + { + "compound_id": "C19797", + "inchi": "InChI=1S/C30H40/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-24H,1-8H3/b10-9+,19-11+,20-12+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+", + "name": "4,4'-Diapolycopene", + "names": [ + "4,4'-Diapolycopene" + ] + }, + { + "compound_id": "C19798", + "inchi": "InChI=1S/C30H36O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h7-24H,1-6H3/b8-7+,15-9+,16-10+,19-11+,20-12+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+", + "name": "4,4'-Diapolycopenedial", + "names": [ + "4,4'-Diapolycopenedial" + ] + }, + { + "compound_id": "C19799", + "inchi": "InChI=1S/C12H24O17P2/c13-1-2(14)5(17)10(6(18)3(1)15)28-31(25,26)29-12-8(20)4(16)7(19)11(9(12)21)27-30(22,23)24/h1-21H,(H,25,26)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-,7-,8+,9+,10-,11+,12-/m0/s1", + "name": "Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate", + "names": [ + "Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate" + ] + }, + { + "compound_id": "C19800", + "inchi": "InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2", + "name": "(3-Phenoxyphenyl)methanol", + "names": [ + "(3-Phenoxyphenyl)methanol", + "3-Phenoxybenzenemethanol" + ] + }, + { + "compound_id": "C19801", + "inchi": "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22?,23?,24-,27+,28+,29+,30-/m0/s1", + "name": "Isomultiflorenol", + "names": [ + "Isomultiflorenol" + ] + }, + { + "compound_id": "C19802", + "inchi": null, + "name": "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-serine", + "names": [ + "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-serine", + "[Protein]-3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine" + ] + }, + { + "compound_id": "C19803", + "inchi": null, + "name": "[Protein]-L-threonine", + "names": [ + "[Protein]-L-threonine" + ] + }, + { + "compound_id": "C19804", + "inchi": null, + "name": "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-threonine", + "names": [ + "[Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-threonine", + "[Protein]-3-O-(N-acetyl-beta-D-glucosaminyl)-L-theronine" + ] + }, + { + "compound_id": "C19805", + "inchi": "InChI=1S/C22H47NO5/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-22,24-28H,5-14,23H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1", + "name": "Aminopentol", + "names": [ + "AP1", + "Aminopentol" + ] + }, + { + "compound_id": "C19806", + "inchi": "InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)", + "name": "Propane-1,2,3-tricarboxylate", + "names": [ + "Propane-1,2,3-tricarboxylate", + "Tricarballylate" + ] + }, + { + "compound_id": "C19807", + "inchi": "InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3", + "name": "3',4',5'-O-Trimethyltricetin", + "names": [ + "3',4',5'-O-Trimethyltricetin", + "5,7-Dihydroxy-3',4',5'-trimethoxyflavone" + ] + }, + { + "compound_id": "C19808", + "inchi": "InChI=1S/C14H18O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-5,10-14,16-19H,6H2,1H3/t10-,11-,12+,13-,14-/m1/s1", + "name": "Glucovanillin", + "names": [ + "Glucovanillin" + ] + }, + { + "compound_id": "C19809", + "inchi": "InChI=1S/C6H12N2O/c7-6(9)5-3-1-2-4-8-5/h5,8H,1-4H2,(H2,7,9)/t5-/m0/s1", + "name": "(S)-Piperidine-2-carboxamide", + "names": [ + "(S)-Piperidine-2-carboxamide" + ] + }, + { + "compound_id": "C19810", + "inchi": "InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17+,19-,20-/m0/s1", + "name": "ent-Pimara-9(11),15-diene", + "names": [ + "ent-Pimara-9(11),15-diene" + ] + }, + { + "compound_id": "C19813", + "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m1/s1", + "name": "threo-3-Hydroxy-D-aspartate", + "names": [ + "threo-3-Hydroxy-D-aspartate" + ] + }, + { + "compound_id": "C19814", + "inchi": "InChI=1S/C20H32/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h7,9,17-18H,1-2,8,10-14H2,3-6H3/t17-,18+,19-,20-/m1/s1", + "name": "Terpentetriene", + "names": [ + "Terpentetriene" + ] + }, + { + "compound_id": "C19815", + "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,19-,20-/m1/s1", + "name": "Terpentedienyl diphosphate", + "names": [ + "Terpentedienyl diphosphate" + ] + }, + { + "compound_id": "C19816", + "inchi": "InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16-19H,3,6,8-12H2,1-2,4-5H3/t16-,17-,18+,19+/m0/s1", + "name": "Elisabethatriene", + "names": [ + "Elisabethatriene" + ] + }, + { + "compound_id": "C19817", + "inchi": "InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3/t14-,15+,16-,18+,19-,20+/m1/s1", + "name": "Phyllocladan-16alpha-ol", + "names": [ + "Phyllocladan-16alpha-ol" + ] + }, + { + "compound_id": "C19818", + "inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3", + "name": "beta-Phellandrene", + "names": [ + "beta-Phellandrene" + ] + }, + { + "compound_id": "C19819", + "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22?,24?,25?,26+,28+,29-,30+/m1/s1", + "name": "Cucurbitadienol", + "names": [ + "Cucurbitadienol" + ] + }, + { + "compound_id": "C19820", + "inchi": "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,23-26,31H,9,11-19H2,1-8H3/b22-21-/t23?,24?,25?,26-,28-,29-,30-/m0/s1", + "name": "(17Z)-Protosta-17(20),24-dien-3beta-ol", + "names": [ + "(17Z)-Protosta-17(20),24-dien-3beta-ol", + "Protostadienol" + ] + }, + { + "compound_id": "C19821", + "inchi": "InChI=1S/C6H8O4/c7-4-6(9)5(8)2-1-3-10-6/h1-2,7,9H,3-4H2", + "name": "2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one", + "names": [ + "2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one" + ] + }, + { + "compound_id": "C19822", + "inchi": "InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1", + "name": "1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose", + "names": [ + "1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose", + "Ascopyrone M" + ] + }, + { + "compound_id": "C19823", + "inchi": "InChI=1S/C17H25N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10,12-16,24-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8+,10+,12+,13+,14+,15+,16+/m0/s1", + "name": "UDP-2-Acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose", + "names": [ + "UDP-2-Acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose" + ] + }, + { + "compound_id": "C19824", + "inchi": null, + "name": "D-5-Monosubstituted hydantoin", + "names": [ + "D-5-Monosubstituted hydantoin" + ] + }, + { + "compound_id": "C19825", + "inchi": null, + "name": "L-5-Monosubstituted hydantoin", + "names": [ + "L-5-Monosubstituted hydantoin" + ] + }, + { + "compound_id": "C19826", + "inchi": "InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h3-4,7,9H,1-2H2/t4-/m0/s1", + "name": "1,5-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose", + "names": [ + "1,5-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose", + "5-Hydroxy-2-(hydroxymethyl)-2H-pyran-4(3H)-one", + "Ascopyrone P" + ] + }, + { + "compound_id": "C19827", + "inchi": "InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+", + "name": "Colneleate", + "names": [ + "(8E)-9-[(1E,3Z)-Nona-1,3-dien-1-yloxy]non-8-enoate", + "Colneleate" + ] + }, + { + "compound_id": "C19828", + "inchi": "InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30+/m0/s1", + "name": "Arabidiol", + "names": [ + "(13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol", + "Arabidiol" + ] + }, + { + "compound_id": "C19829", + "inchi": "InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1", + "name": "Dammarenediol II", + "names": [ + "(20S)-Dammar-24-ene-3beta,20-diol", + "Dammarenediol II" + ] + }, + { + "compound_id": "C19830", + "inchi": "InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1", + "name": "(5S,6S)-6-Amino-5-hydroxycyclohexane-1,3-diene-1-carboxyate", + "names": [ + "(5S,6S)-6-Amino-5-hydroxycyclohexane-1,3-diene-1-carboxyate", + "DHHA", + "trans-2,3-Dihydro-3-hydroxyanthranilate", + "trans-2,3-Dihydro-3-hydroxyanthranilic acid" + ] + }, + { + "compound_id": "C19831", + "inchi": "InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)/t4-,6+/m1/s1", + "name": "(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate", + "names": [ + "(1R,6S)-6-Amino-5-oxocyclohex-2-ene-1-carboxylate" + ] + }, + { + "compound_id": "C19832", + "inchi": "InChI=1S/C30H50O/c1-21(2)11-9-12-22(3)13-10-14-23(4)29(7)19-17-25-24(29)15-16-26-28(5,6)27(31)18-20-30(25,26)8/h11,13,23,26-27,31H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,26-,27-,29+,30+/m0/s1", + "name": "Thalianol", + "names": [ + "Thalianol" + ] + }, + { + "compound_id": "C19833", + "inchi": "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1", + "name": "Germanicol", + "names": [ + "(3beta)-Olean-18-en-3-ol", + "Germanicol" + ] + }, + { + "compound_id": "C19834", + "inchi": "InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1", + "name": "Dammara-20,24-diene", + "names": [ + "Dammara-18(28),21-diene", + "Dammara-20,24-diene" + ] + }, + { + "compound_id": "C19835", + "inchi": "InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,20,28-29,31H,9-12,16-17,19,21-22H2,1-8H3/b24-14+,25-18+,26-15+/t28-,29+/m1/s1", + "name": "Camelliol C", + "names": [ + "Camelliol C" + ] + }, + { + "compound_id": "C19836", + "inchi": "InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t16-,18+,20+/m0/s1", + "name": "Halima-5(6),13-dien-15-yl diphosphate", + "names": [ + "Halima-5(6),13-dien-15-yl diphosphate" + ] + }, + { + "compound_id": "C19837", + "inchi": "InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)", + "name": "Indole-3-carboxylate", + "names": [ + "Indole-3-carboxylate", + "Indole-3-carboxylic acid" + ] + }, + { + "compound_id": "C19838", + "inchi": "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m1/s1", + "name": "D-erythro-3-Hydroxyaspartate", + "names": [ + "D-erythro-3-Hydroxyaspartate", + "erythro-3-hydroxyaspartate" + ] + }, + { + "compound_id": "C19840", + "inchi": "InChI=1/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3/b10-9+,21-13+,27-17+,28-18+,29-23+,30-24+", + "name": "4,4'-Diapophytofluene", + "names": [ + "4,4'-Diapophytofluene" + ] + }, + { + "compound_id": "C19841", + "inchi": "InChI=1/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13-18,21-24H,11-12,19-20H2,1-8H3/b10-9+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+", + "name": "4,4'-Diapo-zeta-carotene", + "names": [ + "4,4'-Diapo-zeta-carotene" + ] + }, + { + "compound_id": "C19844", + "inchi": "InChI=1/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m0/s1/f/h11H", + "name": "(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate", + "names": [ + "(1S,3R)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate" + ] + }, + { + "compound_id": "C19848", + "inchi": "InChI=1/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/t5-,6-,7+,10-,11-,18-,19-/m1/s1/f/h27-28,34,36H,21-22H2", + "name": "Adenylated molybdopterin", + "names": [ + "Adenylated molybdopterin" + ] + }, + { + "compound_id": "C19850", + "inchi": "InChI=1/C20H38N3O16P/c1-23-7-2-5(21)9(26)15(14(7)39-40(31,32)33)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6+,7+,8-,9+,10+,11-,12+,13-,14-,15-,16+,17+,18-,19+,20?/m1/s1/f/h31-32H", + "name": "4-O-Phosphohygromycin B", + "names": [ + "4-O-Phosphohygromycin B" + ] + }, + { + "compound_id": "C19852", + "inchi": "InChI=1/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-/f/h56-57,59H", + "name": "tritrans,heptacis-Undecaprenyl diphosphate", + "names": [ + "tritrans,heptacis-Undecaprenyl diphosphate" + ] + }, + { + "compound_id": "C19854", + "inchi": "InChI=1/C79H130O28P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-98-108(94,95)107-109(96,97)106-78-69(90)67(88)71(61(47-82)101-78)102-77-70(91)72(63(84)60(46-81)99-77)103-79-74(65(86)62(83)59(45-80)100-79)105-76-68(89)64(85)66(87)73(104-76)75(92)93/h23,25,27,29,31,33,35,37,39,41,43,59-74,76-91H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,92,93)(H,94,95)(H,96,97)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71-,72+,73+,74+,76+,77+,78-,79-/m1/s1/f/h92,94,96H", + "name": "D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C19855", + "inchi": "InChI=1/C73H122O22P2/c1-48(2)23-13-24-49(3)25-14-26-50(4)27-15-28-51(5)29-16-30-52(6)31-17-32-53(7)33-18-34-54(8)35-19-36-55(9)37-20-38-56(10)39-21-40-57(11)41-22-42-58(12)43-44-88-96(84,85)95-97(86,87)94-73-67(82)65(80)69(61(47-76)91-73)92-72-68(83)70(63(78)60(46-75)90-72)93-71-66(81)64(79)62(77)59(45-74)89-71/h23,25,27,29,31,33,35,37,39,41,43,59-83H,13-22,24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,84,85)(H,86,87)/b49-25+,50-27+,51-29-,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-/t59-,60-,61-,62-,63-,64+,65-,66+,67-,68-,69-,70+,71-,72+,73-/m1/s1/f/h84,86H", + "name": "D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C19856", + "inchi": "InChI=1/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,13-22,24,26,28,30,32,34,36,38,40,42,44-46H2,1-12H3,(H,75,76)(H,77,78)/b48-25+,49-27+,50-29-,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-/t58-,59-,60-,61+,62-,63-,64-,65-,66+,67-/m1/s1/f/h75,77H", + "name": "D-Glc-beta-(1->4)-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "D-Glc-beta-(1->4)-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C19857", + "inchi": "InChI=1/C85H140O33P2/c1-49(2)23-13-24-50(3)25-14-26-51(4)27-15-28-52(5)29-16-30-53(6)31-17-32-54(7)33-18-34-55(8)35-19-36-56(9)37-20-38-57(10)39-21-40-58(11)41-22-42-59(12)43-44-107-119(103,104)118-120(105,106)117-84-73(99)69(95)75(63(48-89)111-84)112-83-74(100)76(66(92)62(47-88)109-83)113-85-78(68(94)65(91)61(46-87)110-85)115-82-72(98)70(96)77(79(116-82)80(101)102)114-81-71(97)67(93)64(90)60(45-86)108-81/h23,25,27,29,31,33,35,37,39,41,43,60-79,81-100H,13-22,24,26,28,30,32,34,36,38,40,42,44-48H2,1-12H3,(H,101,102)(H,103,104)(H,105,106)/b50-25+,51-27+,52-29-,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-/t60-,61-,62-,63-,64-,65-,66-,67+,68+,69-,70-,71+,72-,73-,74-,75-,76+,77+,78+,79+,81+,82-,83+,84-,85-/m1/s1/f/h101,103,105H", + "name": "D-Man-beta-(1->4)-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "D-Man-beta-(1->4)-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C19863", + "inchi": "InChI=1/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,27-,28+,29-,30-/m1/s1", + "name": "Lupan-3beta,20-diol", + "names": [ + "Lupan-3beta,20-diol" + ] + }, + { + "compound_id": "C19864", + "inchi": "InChI=1/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m0/s1", + "name": "trans-Permethrin", + "names": [ + "trans-Permethrin" + ] + }, + { + "compound_id": "C19865", + "inchi": "InChI=1/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1/f/h51H", + "name": "Soyasaponin III", + "names": [ + "Soyasaponin III" + ] + }, + { + "compound_id": "C19867", + "inchi": "InChI=1/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1/f/h31H", + "name": "beta-D-Glucosyl crocetin", + "names": [ + "beta-D-Glucosyl crocetin" + ] + }, + { + "compound_id": "C19868", + "inchi": "InChI=1/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32+/m1/s1", + "name": "Bis(beta-D-glucosyl) crocetin", + "names": [ + "Bis(beta-D-glucosyl) crocetin" + ] + }, + { + "compound_id": "C19869", + "inchi": "InChI=1/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31-,32+/m1/s1/f/h40H", + "name": "beta-D-Gentiobiosyl crocetin", + "names": [ + "beta-D-Gentiobiosyl crocetin" + ] + }, + { + "compound_id": "C19870", + "inchi": "InChI=1/C88H142O35P2/c1-50(2)24-14-25-51(3)26-15-27-52(4)28-16-29-53(5)30-17-31-54(6)32-18-33-55(7)34-19-35-56(8)36-20-37-57(9)38-21-39-58(10)40-22-41-59(11)42-23-43-60(12)44-45-111-124(106,107)123-125(108,109)122-85-73(100)68(95)75(63(48-91)114-85)116-84-74(101)77(66(93)62(47-90)112-84)117-86-79(67(94)65(92)61(46-89)113-86)119-83-72(99)70(97)78(80(120-83)81(102)103)118-82-71(98)69(96)76-64(115-82)49-110-88(13,121-76)87(104)105/h24,26,28,30,32,34,36,38,40,42,44,61-80,82-86,89-101H,14-23,25,27,29,31,33,35,37,39,41,43,45-49H2,1-13H3,(H,102,103)(H,104,105)(H,106,107)(H,108,109)/b51-26+,52-28+,53-30-,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-/t61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78+,79+,80+,82+,83-,84+,85-,86-,88?/m1/s1/f/h102,104,106,108H", + "name": "4,6-CH3(COO-)C-D-Man-beta-(1->4)-D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "4,6-CH3(COO-)C-D-Man-beta-(1->4)-D-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C19875", + "inchi": "InChI=1/C92H166N2O44P2/c1-5-9-13-17-21-25-29-33-37-41-57(97)45-69(106)93-73-83(131-71(108)47-59(99)43-39-35-31-27-23-19-15-11-7-3)78(113)67(129-86(73)138-140(123,124)125)55-126-85-74(94-70(107)46-58(98)42-38-34-30-26-22-18-14-10-6-2)84(132-72(109)48-60(100)44-40-36-32-28-24-20-16-12-8-4)82(137-139(120,121)122)68(130-85)56-128-91(88(116)117)51-66(77(112)80(135-91)64(104)53-96)133-92(89(118)119)50-62(102)76(111)81(136-92)65(105)54-127-90(87(114)115)49-61(101)75(110)79(134-90)63(103)52-95/h57-68,73-86,95-105,110-113H,5-56H2,1-4H3,(H,93,106)(H,94,107)(H,114,115)(H,116,117)(H,118,119)(H2,120,121,122)(H2,123,124,125)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,90-,91-,92-/m1/s1/f/h93-94,114,116,118,120-121,123-124H", + "name": "alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA", + "names": [ + "alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA" + ] + }, + { + "compound_id": "C19876", + "inchi": "InChI=1/C100H178N2O51P2/c1-5-9-13-17-21-25-29-33-37-41-59(106)45-73(116)101-77-89(144-75(118)47-61(108)43-39-35-31-27-23-19-15-11-7-3)83(124)71(142-92(77)153-155(136,137)138)57-139-91-78(102-74(117)46-60(107)42-38-34-30-26-22-18-14-10-6-2)90(145-76(119)48-62(109)44-40-36-32-28-24-20-16-12-8-4)88(152-154(133,134)135)72(143-91)58-141-98(94(127)128)51-69(81(122)86(149-98)67(114)55-105)147-100(96(131)132)52-70(146-99(95(129)130)50-64(111)80(121)85(150-99)66(113)54-104)82(123)87(151-100)68(115)56-140-97(93(125)126)49-63(110)79(120)84(148-97)65(112)53-103/h59-72,77-92,103-115,120-124H,5-58H2,1-4H3,(H,101,116)(H,102,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,97-,98-,99-,100-/m1/s1/f/h101-102,125,127,129,131,133-134,136-137H", + "name": "alpha-Kdo-(2->8)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA", + "names": [ + "alpha-Kdo-(2->8)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA" + ] + }, + { + "compound_id": "C19877", + "inchi": "InChI=1/C76H143N2O33P3/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(85)77-65-71(106-63(87)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(90)59(104-74(65)111-114(99,100)101)51-102-73-66(78-62(86)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(107-64(88)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(110-113(96,97)98)60(105-73)52-103-76(75(91)92)49-58(109-112(93,94)95)67(89)69(108-76)57(84)50-79/h53-60,65-74,79-84,89-90H,5-52H2,1-4H3,(H,77,85)(H,78,86)(H,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)/t53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,76-/m1/s1/f/h77-78,91,93-94,96-97,99-100H", + "name": "4-O-Phospho-alpha-Kdo-(2->6)-lipid IVA", + "names": [ + "4-O-Phospho-alpha-Kdo-(2->6)-lipid IVA" + ] + }, + { + "compound_id": "C19878", + "inchi": "InChI=1/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1/f/h13-14H", + "name": "D-glycero-alpha-D-manno-Heptose 7-phosphate", + "names": [ + "D-glycero-alpha-D-manno-Heptose 7-phosphate" + ] + }, + { + "compound_id": "C19879", + "inchi": "InChI=1/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7-/m1/s1/f/h12-13,15-16H", + "name": "D-glycero-alpha-D-manno-Heptose 1,7-bisphosphate", + "names": [ + "D-glycero-alpha-D-manno-Heptose 1,7-bisphosphate" + ] + }, + { + "compound_id": "C19880", + "inchi": "InChI=1/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1/f/h13-14H", + "name": "D-glycero-alpha-D-manno-Heptose 1-phosphate", + "names": [ + "D-glycero-alpha-D-manno-Heptose 1-phosphate" + ] + }, + { + "compound_id": "C19881", + "inchi": "InChI=1/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5-,7-,8+,9+,10-,11+,12-,15-,16-/m1/s1/f/h21,31,33H,18H2", + "name": "GDP-D-glycero-alpha-D-manno-heptose", + "names": [ + "GDP-D-glycero-alpha-D-manno-heptose" + ] + }, + { + "compound_id": "C19882", + "inchi": "InChI=1/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7?/m1/s1/f/h13-14H", + "name": "D-glycero-D-manno-Heptose 7-phosphate", + "names": [ + "D-glycero-D-manno-Heptose 7-phosphate" + ] + }, + { + "compound_id": "C19883", + "inchi": "InChI=1/C89H163N3O40P2/c1-5-9-13-17-21-25-29-33-37-41-56(95)45-67(102)91-71-81(125-69(104)47-58(97)43-39-35-31-27-23-19-15-11-7-3)76(109)65(123-84(71)131-133(115,116)117)54-121-83-72(92-68(103)46-57(96)42-38-34-30-26-22-18-14-10-6-2)82(126-70(105)48-59(98)44-40-36-32-28-24-20-16-12-8-4)80(130-134(118,119)132-85-77(110)73(106)60(90)53-120-85)66(124-83)55-122-88(86(111)112)50-64(75(108)79(128-88)63(101)52-94)127-89(87(113)114)49-61(99)74(107)78(129-89)62(100)51-93/h56-66,71-85,93-101,106-110H,5-55,90H2,1-4H3,(H,91,102)(H,92,103)(H,111,112)(H,113,114)(H,118,119)(H2,115,116,117)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,71-,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,88-,89-/m1/s1/f/h91-92,111,113,115-116,118H", + "name": "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid IVA", + "names": [ + "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid IVA" + ] + }, + { + "compound_id": "C19884", + "inchi": "InChI=1/C73H139N3O26P2/c1-5-9-13-17-21-25-29-33-37-41-52(78)45-59(82)75-63-69(98-61(84)47-54(80)43-39-35-31-27-23-19-15-11-7-3)66(87)58(97-72(63)101-104(92,93)102-73-67(88)65(86)56(74)50-94-73)51-95-71-64(76-60(83)46-53(79)42-38-34-30-26-22-18-14-10-6-2)70(68(57(49-77)96-71)100-103(89,90)91)99-62(85)48-55(81)44-40-36-32-28-24-20-16-12-8-4/h52-58,63-73,77-81,86-88H,5-51,74H2,1-4H3,(H,75,82)(H,76,83)(H,92,93)(H2,89,90,91)/t52-,53-,54-,55-,56+,57-,58-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1/f/h75-76,89-90,92H", + "name": "Lipid IIA", + "names": [ + "Lipid IIA" + ] + }, + { + "compound_id": "C19890", + "inchi": "InChI=1/C115H211N3O42P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(129)150-83(66-60-54-48-42-35-29-23-17-11-5)72-96(131)154-108-98(118-92(127)71-82(65-59-53-47-41-34-28-22-16-10-4)149-93(128)67-61-55-49-43-36-30-24-18-12-6)109(147-78-89-102(135)107(153-95(130)70-81(122)64-58-52-46-40-33-27-21-15-9-3)97(110(151-89)159-161(141,142)143)117-91(126)69-80(121)63-57-51-45-39-32-26-20-14-8-2)152-90(106(108)158-162(144,145)160-111-103(136)99(132)84(116)77-146-111)79-148-114(112(137)138)74-88(101(134)105(156-114)87(125)76-120)155-115(113(139)140)73-85(123)100(133)104(157-115)86(124)75-119/h80-90,97-111,119-125,132-136H,7-79,116H2,1-6H3,(H,117,126)(H,118,127)(H,137,138)(H,139,140)(H,144,145)(H2,141,142,143)/t80-,81-,82-,83-,84+,85-,86-,87-,88-,89-,90-,97-,98-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,114-,115-/m1/s1/f/h117-118,137,139,141-142,144H", + "name": "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid A", + "names": [ + "alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-[4-P-L-Ara4N]-lipid A" + ] + }, + { + "compound_id": "C19891", + "inchi": "InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1", + "name": "1D-chiro-Inositol", + "names": [ + "1D-chiro-Inositol" + ] + }, + { + "compound_id": "C19892", + "inchi": "InChI=1/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+", + "name": "4'-Apo-beta,psi-caroten-4'-al", + "names": [ + "4'-Apo-beta,psi-caroten-4'-al" + ] + }, + { + "compound_id": "C19893", + "inchi": "InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1", + "name": "10-epi-gamma-Eudesmol", + "names": [ + "10-epi-gamma-Eudesmol" + ] + }, + { + "compound_id": "C19894", + "inchi": "InChI=1/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-16,19-28,41-42H,17-18,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+", + "name": "1,1'-Dihydroxy-1,1',2,2'-tetrahydrolycopene", + "names": [ + "1,1'-Dihydroxy-1,1',2,2'-tetrahydrolycopene" + ] + }, + { + "compound_id": "C19895", + "inchi": "InChI=1/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3", + "name": "4'-Methoxyflavanone", + "names": [ + "4'-Methoxyflavanone" + ] + }, + { + "compound_id": "C19896", + "inchi": "InChI=1/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2", + "name": "4'-Hydroxyflavanone", + "names": [ + "4'-Hydroxyflavanone" + ] + }, + { + "compound_id": "C19907", + "inchi": "InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H", + "name": "Pyrrole", + "names": [ + "Pyrrole" + ] + }, + { + "compound_id": "C19908", + "inchi": "InChI=1/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m0/s1", + "name": "(+)-beta-Chamigrene", + "names": [ + "(+)-beta-Chamigrene" + ] + }, + { + "compound_id": "C19909", + "inchi": "InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1/f/h12,18H", + "name": "N-Acetyl-alpha-neuraminate", + "names": [ + "N-Acetyl-alpha-neuraminate" + ] + }, + { + "compound_id": "C19910", + "inchi": "InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1/f/h12,18H", + "name": "N-Acetyl-beta-neuraminate", + "names": [ + "N-Acetyl-beta-neuraminate" + ] + }, + { + "compound_id": "C19911", + "inchi": "InChI=1/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/f/h6,8H", + "name": "Iminodiacetate", + "names": [ + "Iminodiacetate" + ] + }, + { + "compound_id": "C19918", + "inchi": "InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25+,26+,28-,29-,30+/m1/s1", + "name": "Parkeol", + "names": [ + "Parkeol" + ] + }, + { + "compound_id": "C19929", + "inchi": "InChI=1/C6H12N2O3/c1-4(9)8-5(2-3-7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1/f/h8,10H", + "name": "N-alpha-Acetyl-L-2,4-diaminobutyrate", + "names": [ + "N-alpha-Acetyl-L-2,4-diaminobutyrate" + ] + }, + { + "compound_id": "C19931", + "inchi": "InChI=1/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17-,18?,20+,21+/m0/s1", + "name": "Raucaffrinoline", + "names": [ + "Raucaffrinoline" + ] + }, + { + "compound_id": "C19932", + "inchi": "InChI=1/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12-,13-,16-,17-,18?,20+,21+/m0/s1", + "name": "Perakine", + "names": [ + "Perakine" + ] + }, + { + "compound_id": "C19933", + "inchi": "InChI=1/C18H24O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-13,19H,7-10,14H2,1-2H3/b4-3+,6-5+,12-11+", + "name": "Prosolanapyrone II", + "names": [ + "Prosolanapyrone II" + ] + }, + { + "compound_id": "C19934", + "inchi": "InChI=1/C18H22O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-14H,7-10H2,1-2H3/b4-3+,6-5+,12-11+", + "name": "Prosolanapyrone III", + "names": [ + "Prosolanapyrone III" + ] + }, + { + "compound_id": "C19935", + "inchi": "InChI=1/N3/c1-3-2/q-1", + "name": "Azide", + "names": [ + "Azide" + ] + }, + { + "compound_id": "C19936", + "inchi": "InChI=1/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m0/s1/f/h19H", + "name": "(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate", + "names": [ + "(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate" + ] + }, + { + "compound_id": "C19937", + "inchi": "InChI=1/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m1/s1/f/h19H", + "name": "(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate", + "names": [ + "(8E,10R,12Z)-10-Hydroperoxy-8,12-octadecadienoate" + ] + }, + { + "compound_id": "C19938", + "inchi": "InChI=1/C15H24O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,10,12-13,16H,4-5,7-9H2,1-3H3/t10-,12-,13+,15?/m1/s1", + "name": "Pentalen-13-ol", + "names": [ + "Pentalen-13-ol" + ] + }, + { + "compound_id": "C19939", + "inchi": "InChI=1/C15H22O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,8,10,12-13H,4-5,7,9H2,1-3H3/t10-,12-,13+,15?/m1/s1", + "name": "Pentalen-13-al", + "names": [ + "Pentalen-13-al" + ] + }, + { + "compound_id": "C19942", + "inchi": "InChI=1/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1", + "name": "11alpha-Hydroxy-beta-amyrin", + "names": [ + "11alpha-Hydroxy-beta-amyrin" + ] + }, + { + "compound_id": "C19943", + "inchi": "InChI=1/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22-24,32H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29+,30+/m0/s1", + "name": "11-Oxo-beta-amyrin", + "names": [ + "11-Oxo-beta-amyrin" + ] + }, + { + "compound_id": "C19944", + "inchi": "InChI=1/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15-,16-,19-/m0/s1", + "name": "3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione", + "names": [ + "3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione" + ] + }, + { + "compound_id": "C19945", + "inchi": "InChI=1/C29H44N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)11-16(37)5-3-4-6-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-23(55-57(45,46)47)22(42)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h3-4,14-15,17,22-24,28,42-43H,5-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/b4-3-/t17-,22-,23-,24+,28-/m1/s1/f/h31-32,39,45-46,48,50H,30H2", + "name": "3-Oxo-5,6-dehydrosuberyl-CoA", + "names": [ + "3-Oxo-5,6-dehydrosuberyl-CoA" + ] + }, + { + "compound_id": "C19946", + "inchi": "InChI=1/C29H44N7O19P3S/c1-29(2,24(42)27(43)32-8-7-19(39)31-9-11-59-20(40)12-17(38)6-4-3-5-10-37)14-52-58(49,50)55-57(47,48)51-13-18-23(54-56(44,45)46)22(41)28(53-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-4,10,15-16,18,22-24,28,41-42H,5-9,11-14H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/b4-3-/t18-,22-,23-,24+,28-/m1/s1/f/h31-32,44-45,47,49H,30H2", + "name": "3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde", + "names": [ + "3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde" + ] + }, + { + "compound_id": "C19947", + "inchi": "InChI=1/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1/f/h18,25,27H", + "name": "dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose", + "names": [ + "dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose" + ] + }, + { + "compound_id": "C19948", + "inchi": "InChI=1/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14+,15-,17-/m1/s1/f/h19,27,29H", + "name": "dTDP-3-dimethylamino-3,6-dideoxy-alpha-D-galactopyranose", + "names": [ + "dTDP-3-dimethylamino-3,6-dideoxy-alpha-D-galactopyranose" + ] + }, + { + "compound_id": "C19960", + "inchi": "InChI=1/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-11,13,15,19-20,22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,13-,15-/m1/s1/f/h17,25,27H", + "name": "dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose", + "names": [ + "dTDP-3-dehydro-6-deoxy-alpha-D-galactopyranose" + ] + }, + { + "compound_id": "C19961", + "inchi": "InChI=1/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1/f/h19-20,28,30H", + "name": "UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine", + "names": [ + "UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine" + ] + }, + { + "compound_id": "C19963", + "inchi": "InChI=1/C20H34O/c1-15(11-14-21)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18,21H,6-8,10,12-14H2,1-5H3/b15-11+/t16-,18+,20+/m0/s1", + "name": "Tuberculosinol", + "names": [ + "Tuberculosinol" + ] + }, + { + "compound_id": "C19964", + "inchi": "InChI=1/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19+,20+/m0/s1", + "name": "(13S)-Isotuberculosinol", + "names": [ + "(13S)-Isotuberculosinol" + ] + }, + { + "compound_id": "C19965", + "inchi": "InChI=1/C24H38O20/c1-5-17(12(30)14(32)23(38-5)44-19-11(29)8(3-25)39-21(37)16(19)34)42-24-15(33)13(31)18(9(4-26)41-24)43-22-10(28)6(27)2-7(40-22)20(35)36/h2,5-6,8-19,21-34,37H,3-4H2,1H3,(H,35,36)/t5-,6-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18+,19-,21+,22-,23-,24-/m0/s1/f/h35H", + "name": "beta-D-4-Deoxy-delta4-GlcA-(1->4)-beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc", + "names": [ + "beta-D-4-Deoxy-delta4-GlcA-(1->4)-beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc" + ] + }, + { + "compound_id": "C19966", + "inchi": "InChI=1/C18H32O15/c1-4-14(32-18-11(25)9(23)7(21)5(2-19)31-18)10(24)12(26)17(29-4)33-15-8(22)6(3-20)30-16(28)13(15)27/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-,10-,11+,12+,13+,14-,15-,16+,17-,18-/m0/s1", + "name": "beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc", + "names": [ + "beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-beta-D-Glc" + ] + }, + { + "compound_id": "C19967", + "inchi": "InChI=1/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12-13,19-20,22,24H,11H2", + "name": "8-Oxo-dGTP", + "names": [ + "8-Oxo-dGTP" + ] + }, + { + "compound_id": "C19968", + "inchi": "InChI=1/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12-13,19-20H,11H2", + "name": "8-Oxo-dGMP", + "names": [ + "8-Oxo-dGMP" + ] + }, + { + "compound_id": "C19969", + "inchi": "InChI=1/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h17-19,21,23H,11H2", + "name": "2-Hydroxy-dATP", + "names": [ + "2-Hydroxy-dATP" + ] + }, + { + "compound_id": "C19970", + "inchi": "InChI=1/C10H14N5O7P/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h17-19H,11H2", + "name": "2-Hydroxy-dAMP", + "names": [ + "2-Hydroxy-dAMP" + ] + }, + { + "compound_id": "C19971", + "inchi": "InChI=1/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10+,12-,13+,14+,15-,16+,17+,18+/m0/s1/f/h20-22,31,33H", + "name": "UDP-2,4-bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose", + "names": [ + "UDP-2,4-bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose" + ] + }, + { + "compound_id": "C19972", + "inchi": "InChI=1/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9-,10-/m0/s1/f/h11-12H", + "name": "2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose", + "names": [ + "2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose" + ] + }, + { + "compound_id": "C19973", + "inchi": "InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1", + "name": "(+)-beta-Caryophyllene", + "names": [ + "(+)-beta-Caryophyllene" + ] + }, + { + "compound_id": "C19974", + "inchi": "InChI=1/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15?/m0/s1", + "name": "(+)-Caryolan-1-ol", + "names": [ + "(+)-Caryolan-1-ol" + ] + }, + { + "compound_id": "C19975", + "inchi": "InChI=1/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-8-7-19(37)31-9-11-58-20(38)12-17-6-4-3-5-10-49-17)14-51-57(47,48)54-56(45,46)50-13-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-5,10,12,15-16,18,22-24,28,39-40H,6-9,11,13-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b17-12-/t18-,22-,23-,24+,28-/m1/s1/f/h31-32,42-43,45,47H,30H2", + "name": "2-Oxepin-2(3H)-ylideneacetyl-CoA", + "names": [ + "2-Oxepin-2(3H)-ylideneacetyl-CoA" + ] + }, + { + "compound_id": "C20045", + "inchi": "InChI=1/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1", + "name": "Verruculogen", + "names": [ + "Verruculogen" + ] + }, + { + "compound_id": "C20062", + "inchi": "InChI=1/C29H42N7O18P3S/c1-28(2,23(40)26(41)32-8-6-18(37)31-9-10-58-19(38)11-29-7-4-3-5-17(29)52-29)13-50-57(47,48)54-56(45,46)49-12-16-22(53-55(42,43)44)21(39)27(51-16)36-15-35-20-24(30)33-14-34-25(20)36/h3-5,7,14-17,21-23,27,39-40H,6,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t16-,17?,21-,22-,23+,27-,29?/m1/s1/f/h31-32,42-43,45,47H,30H2", + "name": "2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA", + "names": [ + "2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA" + ] + }, + { + "compound_id": "C20082", + "inchi": "InChI=1/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9-,10-,11-,13-/m0/s1/f/h14-15,20H", + "name": "Pseudaminic acid", + "names": [ + "Pseudaminic acid" + ] + }, + { + "compound_id": "C20083", + "inchi": "InChI=1/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11-,12+,14-,15-,16+,17+,18-,19+,22+/m0/s1/f/h24-25,34,37H,23H2", + "name": "CMP-pseudaminic acid", + "names": [ + "CMP-pseudaminic acid" + ] + }, + { + "compound_id": "C20121", + "inchi": "InChI=1/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9+,15-11+/f/h16-17H", + "name": "trans,trans-Farnesyl phosphate", + "names": [ + "trans,trans-Farnesyl phosphate" + ] + }, + { + "compound_id": "C20134", + "inchi": "InChI=1/C25H32ClNO6/c1-14-6-5-7-23(33-4)21(30)12-19(28)15(2)9-16(3)20(29)13-24(32)27-18-10-17(8-14)11-22(31)25(18)26/h5-7,9-11,15,19-20,23,28-29,31H,8,12-13H2,1-4H3,(H,27,32)/b7-5+,14-6+,16-9+/t15-,19-,20-,23+/m0/s1/f/h27H", + "name": "19-Chloroproansamitocin", + "names": [ + "19-Chloroproansamitocin" + ] + }, + { + "compound_id": "C20135", + "inchi": "InChI=1/C26H34ClNO6/c1-15-7-6-8-23(33-4)22(31)13-20(29)16(2)10-17(3)21(30)14-25(32)28-19-11-18(9-15)12-24(34-5)26(19)27/h6-8,10-12,16,20-21,23,29-30H,9,13-14H2,1-5H3,(H,28,32)/b8-6+,15-7+,17-10+/t16-,20-,21-,23+/m0/s1/f/h28H", + "name": "20-O-Methyl-19-chloroproansamitocin", + "names": [ + "20-O-Methyl-19-chloroproansamitocin" + ] + }, + { + "compound_id": "C20136", + "inchi": "InChI=1/C27H35ClN2O7/c1-15-7-6-8-23(36-5)27(34)14-22(37-26(33)30-27)17(3)10-16(2)20(31)13-24(32)29-19-11-18(9-15)12-21(35-4)25(19)28/h6-8,10-12,17,20,22-23,31,34H,9,13-14H2,1-5H3,(H,29,32)(H,30,33)/b8-6+,15-7+,16-10+/t17-,20-,22-,23+,27-/m0/s1/f/h29-30H", + "name": "N-Demethyl-desepoxymaytansinol", + "names": [ + "N-Demethyl-desepoxymaytansinol" + ] + }, + { + "compound_id": "C20137", + "inchi": "InChI=1/C31H41ClN2O8/c1-17(2)29(36)41-23-15-27(35)33-22-13-21(14-24(39-6)28(22)32)11-18(3)9-8-10-26(40-7)31(38)16-25(42-30(37)34-31)20(5)12-19(23)4/h8-10,12-14,17,20,23,25-26,38H,11,15-16H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,18-9+,19-12+/t20-,23-,25-,26+,31-/m0/s1/f/h33-34H", + "name": "N-Demethyl-desepoxyansamitocin P-3", + "names": [ + "N-Demethyl-desepoxyansamitocin P-3" + ] + }, + { + "compound_id": "C20138", + "inchi": "InChI=1/C31H41ClN2O9/c1-16(2)28(36)42-24-14-25(35)33-20-12-19(13-21(39-6)26(20)32)11-17(3)9-8-10-23(40-7)31(38)15-22(41-29(37)34-31)18(4)27-30(24,5)43-27/h8-10,12-13,16,18,22-24,27,38H,11,14-15H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,17-9+/t18-,22+,23-,24+,27+,30+,31+/m1/s1/f/h33-34H", + "name": "N-Demethylansamitocin P-3", + "names": [ + "N-Demethylansamitocin P-3" + ] + }, + { + "compound_id": "C20139", + "inchi": "InChI=1/C37H51ClN2O14/c1-17(2)34(46)53-26-14-27(42)40(33-31(45)30(44)29(43)24(16-41)51-33)21-12-20(13-22(49-6)28(21)38)11-18(3)9-8-10-25(50-7)37(48)15-23(52-35(47)39-37)19(4)32-36(26,5)54-32/h8-10,12-13,17,19,23-26,29-33,41,43-45,48H,11,14-16H2,1-7H3,(H,39,47)/b10-8+,18-9+/t19-,23+,24-,25-,26+,29-,30+,31-,32+,33-,36+,37+/m1/s1/f/h39H", + "name": "Ansamitocinoside P-3", + "names": [ + "Ansamitocinoside P-3" + ] + }, + { + "compound_id": "C20140", + "inchi": "InChI=1/C38H52ClN3O15/c1-17(2)34(47)55-26-14-27(44)42(33-30(46)29(45)31(56-35(40)48)24(16-43)53-33)21-12-20(13-22(51-6)28(21)39)11-18(3)9-8-10-25(52-7)38(50)15-23(54-36(49)41-38)19(4)32-37(26,5)57-32/h8-10,12-13,17,19,23-26,29-33,43,45-46,50H,11,14-16H2,1-7H3,(H2,40,48)(H,41,49)/b10-8+,18-9+/t19-,23+,24-,25-,26+,29-,30-,31-,32+,33-,37+,38+/m1/s1/f/h41H,40H2", + "name": "4''-O-Carbamoyl ansamitocinoside P-3", + "names": [ + "4''-O-Carbamoyl ansamitocinoside P-3" + ] + }, + { + "compound_id": "C20143", + "inchi": "InChI=1/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1", + "name": "26-Hydroxycholest-4-en-3-one", + "names": [ + "26-Hydroxycholest-4-en-3-one" + ] + }, + { + "compound_id": "C20144", + "inchi": "InChI=1/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", + "name": "Androsta-1,4-diene-3,17-dione", + "names": [ + "Androsta-1,4-diene-3,17-dione" + ] + }, + { + "compound_id": "C20145", + "inchi": "InChI=1/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1", + "name": "ent-Isokaurene", + "names": [ + "ent-Isokaurene" + ] + }, + { + "compound_id": "C20146", + "inchi": "InChI=1/C20H32O/c1-13-9-20-8-7-16-18(2,3)11-15(21)12-19(16,4)17(20)6-5-14(13)10-20/h9,14-17,21H,5-8,10-12H2,1-4H3/t14-,15-,16-,17+,19-,20-/m1/s1", + "name": "ent-2alpha-Hydroxyisokaurene", + "names": [ + "ent-2alpha-Hydroxyisokaurene" + ] + }, + { + "compound_id": "C20147", + "inchi": "InChI=1/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17+,18-,19-,20-/m1/s1", + "name": "9beta-Pimara-7,15-dien-19-ol", + "names": [ + "9beta-Pimara-7,15-dien-19-ol" + ] + }, + { + "compound_id": "C20148", + "inchi": "InChI=1/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17+,18-,19-,20-/m1/s1", + "name": "9beta-Pimara-7,15-dien-19-al", + "names": [ + "9beta-Pimara-7,15-dien-19-al" + ] + }, + { + "compound_id": "C20149", + "inchi": "InChI=1/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16-,18-,19-,20+/m1/s1/f/h21H", + "name": "9beta-Pimara-7,15-dien-19-oate", + "names": [ + "9beta-Pimara-7,15-dien-19-oate" + ] + }, + { + "compound_id": "C20150", + "inchi": "InChI=1/C20H32O/c1-6-14-12-16(21)18-15(13(14)2)8-9-17-19(3,4)10-7-11-20(17,18)5/h6,12-13,15-18,21H,1,7-11H2,2-5H3/t13-,15-,16-,17-,18+,20-/m1/s1", + "name": "ent-11beta-Hydroxycassa-12,15-diene", + "names": [ + "ent-11beta-Hydroxycassa-12,15-diene" + ] + }, + { + "compound_id": "C20151", + "inchi": "InChI=1/C22H34O4/c1-12-9-17(24)16-10-15-13(2)19(26-14(3)23)7-8-22(15,6)11-18(25)20(12)21(16,4)5/h15-19,24-25H,2,7-11H2,1,3-6H3/t15-,16-,17+,18+,19+,22+/m1/s1", + "name": "10beta,14beta-Dihydroxytaxa-4(20),11-dien-5alpha-yl acetate", + "names": [ + "10beta,14beta-Dihydroxytaxa-4(20),11-dien-5alpha-yl acetate" + ] + }, + { + "compound_id": "C20152", + "inchi": "InChI=1/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1", + "name": "Taxusin", + "names": [ + "Taxusin" + ] + }, + { + "compound_id": "C20153", + "inchi": "InChI=1/C28H40O9/c1-13-20-10-19-11-21(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(33)12-22(13)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25-,26+,28+/m1/s1", + "name": "7beta-Hydroxytaxusin", + "names": [ + "7beta-Hydroxytaxusin" + ] + }, + { + "compound_id": "C20154", + "inchi": "InChI=1/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+", + "name": "3-Methoxy-4',5-dihydroxy-trans-stilbene", + "names": [ + "3-Methoxy-4',5-dihydroxy-trans-stilbene" + ] + }, + { + "compound_id": "C20155", + "inchi": "InChI=1/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)/f/h7,9-10H,6H2", + "name": "8-Oxoguanine", + "names": [ + "8-Oxoguanine" + ] + }, + { + "compound_id": "C20156", + "inchi": "InChI=1/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1/f/h19-20,28,30H", + "name": "dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose", + "names": [ + "dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose" + ] + }, + { + "compound_id": "C20158", + "inchi": "InChI=1/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17-,18-,20+/m0/s1", + "name": "(13E)-Labda-7,13-dien-15-ol", + "names": [ + "(13E)-Labda-7,13-dien-15-ol" + ] + }, + { + "compound_id": "C20159", + "inchi": "InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15+/m0/s1", + "name": "7-epi-alpha-Selinene", + "names": [ + "7-epi-alpha-Selinene" + ] + }, + { + "compound_id": "C20161", + "inchi": "InChI=1/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1", + "name": "alpha-Guaiene", + "names": [ + "alpha-Guaiene" + ] + }, + { + "compound_id": "C20162", + "inchi": "InChI=1/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1", + "name": "Viridiflorene", + "names": [ + "Viridiflorene" + ] + }, + { + "compound_id": "C20163", + "inchi": "InChI=1/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1", + "name": "5-epi-alpha-Selinene", + "names": [ + "5-epi-alpha-Selinene" + ] + }, + { + "compound_id": "C20172", + "inchi": "InChI=1/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13?,14+,15-/m1/s1", + "name": "Cubebol", + "names": [ + "Cubebol" + ] + }, + { + "compound_id": "C20173", + "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1", + "name": "(+)-gamma-Cadinene", + "names": [ + "(+)-gamma-Cadinene" + ] + }, + { + "compound_id": "C20174", + "inchi": "InChI=1/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1", + "name": "delta-Guaiene", + "names": [ + "delta-Guaiene" + ] + }, + { + "compound_id": "C20175", + "inchi": "InChI=1/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1", + "name": "Bicyclogermacrene", + "names": [ + "Bicyclogermacrene" + ] + }, + { + "compound_id": "C20176", + "inchi": "InChI=1/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12-13,19-20,22H,11H2", + "name": "8-Oxo-dGDP", + "names": [ + "8-Oxo-dGDP" + ] + }, + { + "compound_id": "C20177", + "inchi": "InChI=1/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14+,15+/m1/s1", + "name": "7-epi-Sesquithujene", + "names": [ + "7-epi-Sesquithujene" + ] + }, + { + "compound_id": "C20178", + "inchi": "InChI=1/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14-,15-/m0/s1", + "name": "Sesquithujene", + "names": [ + "Sesquithujene" + ] + }, + { + "compound_id": "C20179", + "inchi": "InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m1/s1", + "name": "gamma-Curcumene", + "names": [ + "gamma-Curcumene" + ] + }, + { + "compound_id": "C20180", + "inchi": "InChI=1/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8H,5,7,9-11H2,1-4H3/t15-/m0/s1", + "name": "(-)-alpha-Cuprenene", + "names": [ + "(-)-alpha-Cuprenene" + ] + }, + { + "compound_id": "C20181", + "inchi": "InChI=1/C15H26O/c1-9-5-6-11(16)15(4)8-7-10-13(12(9)15)14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,15-/m1/s1", + "name": "Avermitilol", + "names": [ + "Avermitilol" + ] + }, + { + "compound_id": "C20182", + "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m1/s1", + "name": "(-)-delta-Cadinene", + "names": [ + "(-)-delta-Cadinene" + ] + }, + { + "compound_id": "C20183", + "inchi": "InChI=1/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1/fC11H18N5O11P2/h14,20-21,23H,12H2/q+1", + "name": "N7-Methylguanosine 5'-diphosphate", + "names": [ + "N7-Methylguanosine 5'-diphosphate" + ] + }, + { + "compound_id": "C20184", + "inchi": "InChI=1/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m1/s1", + "name": "(+)-T-Muurolol", + "names": [ + "(+)-T-Muurolol" + ] + }, + { + "compound_id": "C20185", + "inchi": "InChI=1/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20-/m1/s1", + "name": "(12E)-9alpha-Labda-8(17),12,14-triene", + "names": [ + "(12E)-9alpha-Labda-8(17),12,14-triene" + ] + }, + { + "compound_id": "C20186", + "inchi": "InChI=1/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/b7-6-,11-9-/t16-,17-/m0/s1/f/h21H", + "name": "5S,8R-DiHODE", + "names": [ + "5S,8R-DiHODE" + ] + }, + { + "compound_id": "C20187", + "inchi": "InChI=1/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26+,27+,30+/m1/s1", + "name": "Achilleol B", + "names": [ + "Achilleol B" + ] + }, + { + "compound_id": "C20188", + "inchi": "InChI=1/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1", + "name": "Glutinol", + "names": [ + "Glutinol" + ] + }, + { + "compound_id": "C20189", + "inchi": "InChI=1/C30H50O/c1-21(2)10-9-14-26(5)16-18-28(7)23-12-11-22-25(3,4)24-13-15-30(22,31-24)29(23,8)19-17-27(28,6)20-26/h10,22-24H,9,11-20H2,1-8H3/t22-,23+,24-,26+,27-,28+,29+,30+/m0/s1", + "name": "Baccharis oxide", + "names": [ + "Baccharis oxide" + ] + }, + { + "compound_id": "C20190", + "inchi": "InChI=1/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1/f/h35,37,39,41,43,45H,21-22H2", + "name": "P1,P6-Bis(5'-adenosyl)hexaphosphate", + "names": [ + "P1,P6-Bis(5'-adenosyl)hexaphosphate" + ] + }, + { + "compound_id": "C20191", + "inchi": "InChI=1/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/s1", + "name": "alpha-seco-Amyrin", + "names": [ + "alpha-seco-Amyrin" + ] + }, + { + "compound_id": "C20192", + "inchi": "InChI=1/C30H50O/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,22,27,29H,9-12,14,16,18-21H2,1-8H3/b25-15+,26-17+/t27-,29-,30-/m1/s1", + "name": "Marneral", + "names": [ + "Marneral" + ] + }, + { + "compound_id": "C20193", + "inchi": "InChI=1/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1", + "name": "beta-seco-Amyrin", + "names": [ + "beta-seco-Amyrin" + ] + }, + { + "compound_id": "C20194", + "inchi": "InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h22-24,31H,9-19H2,1-8H3/t22-,23+,24-,27+,28-,29+,30+/m0/s1", + "name": "delta-Amyrin", + "names": [ + "delta-Amyrin" + ] + }, + { + "compound_id": "C20195", + "inchi": "InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22-,23-,25-,26-,28+,29-,30+/m0/s1", + "name": "Tirucalla-7,24-dien-3beta-ol", + "names": [ + "Tirucalla-7,24-dien-3beta-ol" + ] + }, + { + "compound_id": "C20198", + "inchi": "InChI=1/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19,21,23,25,27H,11H2", + "name": "Adenosine 5'-pentaphosphate", + "names": [ + "Adenosine 5'-pentaphosphate" + ] + }, + { + "compound_id": "C20199", + "inchi": "InChI=1/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9-,13-/m0/s1/f/h16H", + "name": "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate", + "names": [ + "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate" + ] + }, + { + "compound_id": "C20200", + "inchi": "InChI=1/C30H50O/c1-21(2)10-9-15-27(5)16-19-30(8)24-13-11-22-23(12-14-25(31)26(22,3)4)29(24,7)18-17-28(30,6)20-27/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25+,27-,28+,29+,30-/m1/s1", + "name": "Baruol", + "names": [ + "Baruol" + ] + }, + { + "compound_id": "C20201", + "inchi": "InChI=1/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1", + "name": "(-)-Solanapyrone A", + "names": [ + "(-)-Solanapyrone A" + ] + }, + { + "compound_id": "C20208", + "inchi": "InChI=1/C20H30O2/c1-13-7-10-20-12-14(13)11-15(20)5-6-16-18(2,17(21)22)8-4-9-19(16,20)3/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,16-,18-,19-,20+/m0/s1/f/h21H", + "name": "syn-Stemoden-19-oate", + "names": [ + "syn-Stemoden-19-oate" + ] + }, + { + "compound_id": "C20221", + "inchi": "InChI=1/C10H16O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,8,12H,1,5,7H2,2-3H3/b9-6+", + "name": "(6E)-8-Oxolinalool", + "names": [ + "(6E)-8-Oxolinalool" + ] + }, + { + "compound_id": "C20222", + "inchi": "InChI=1/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-7,12H,3-4,8H2,1-2H3/b9-6+,10-5+", + "name": "(6E)-8-Hydroxygeranial", + "names": [ + "(6E)-8-Hydroxygeranial" + ] + }, + { + "compound_id": "C20223", + "inchi": "InChI=1/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3/b9-6+,10-5+", + "name": "(6E)-8-Oxogeraniol", + "names": [ + "(6E)-8-Oxogeraniol" + ] + }, + { + "compound_id": "C20225", + "inchi": "InChI=1/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3/b4-3+", + "name": "Coniferyl acetate", + "names": [ + "Coniferyl acetate" + ] + }, + { + "compound_id": "C20226", + "inchi": "InChI=1/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H", + "name": "Benzil", + "names": [ + "Benzil" + ] + }, + { + "compound_id": "C20227", + "inchi": "InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m0/s1", + "name": "(S)-Benzoin", + "names": [ + "(S)-Benzoin" + ] + }, + { + "compound_id": "C20228", + "inchi": "InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m1/s1", + "name": "(R)-Benzoin", + "names": [ + "(R)-Benzoin" + ] + }, + { + "compound_id": "C20229", + "inchi": "InChI=1/C15H24O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11,14,16H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+", + "name": "10-Hydroxy-alpha-humulene", + "names": [ + "10-Hydroxy-alpha-humulene" + ] + }, + { + "compound_id": "C20230", + "inchi": "InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1", + "name": "(+)-Sabinene", + "names": [ + "(+)-Sabinene" + ] + }, + { + "compound_id": "C20231", + "inchi": "InChI=1/C4H6N2O4/c5-4(8)6-2-1-3(7)10-9/h1-2,9H,(H3,5,6,8)/b2-1-/f/h6H,5H2", + "name": "(Z)-3-Ureidoacrylate peracid", + "names": [ + "(Z)-3-Ureidoacrylate peracid" + ] + }, + { + "compound_id": "C20232", + "inchi": "InChI=1/C5H8N2O4/c1-3(4(8)11-10)2-7-5(6)9/h2,10H,1H3,(H3,6,7,9)/b3-2-/f/h7H,6H2", + "name": "(Z)-2-Methylureidoacrylate peracid", + "names": [ + "(Z)-2-Methylureidoacrylate peracid" + ] + }, + { + "compound_id": "C20234", + "inchi": "InChI=1/C7H13N3O3/c1-4(5(11)6(12)13)2-3-10-7(8)9/h4H,2-3H2,1H3,(H,12,13)(H4,8,9,10)/f/h8,10,12H,9H2", + "name": "5-Guanidino-3-methyl-2-oxopentanoate", + "names": [ + "5-Guanidino-3-methyl-2-oxopentanoate" + ] + }, + { + "compound_id": "C20235", + "inchi": "InChI=1/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/b11-10+/f/h12-13,15H", + "name": "(E)-2-Methylgeranyl diphosphate", + "names": [ + "(E)-2-Methylgeranyl diphosphate" + ] + }, + { + "compound_id": "C20236", + "inchi": "InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9+,10-,11?,12+/m1/s1", + "name": "4-O-beta-D-Mannopyranosyl-D-glucopyranose", + "names": [ + "4-O-beta-D-Mannopyranosyl-D-glucopyranose" + ] + }, + { + "compound_id": "C20237", + "inchi": "InChI=1/C12H23O14P/c13-1-3-5(15)6(16)8(18)11(23-3)25-10-4(2-14)24-12(9(19)7(10)17)26-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1/f/h20-21H", + "name": "alpha-Maltose 1-phosphate", + "names": [ + "alpha-Maltose 1-phosphate" + ] + }, + { + "compound_id": "C20238", + "inchi": "InChI=1/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,14-,17-,18-,19+,23-/m1/s1/f/h28-29,38,41-42,44,46H,27H2", + "name": "(2R)-Ethylmalonyl-CoA", + "names": [ + "(2R)-Ethylmalonyl-CoA" + ] + }, + { + "compound_id": "C20239", + "inchi": "InChI=1/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)/f/h9,12,14H,8H2", + "name": "6-Carboxy-5,6,7,8-tetrahydropterin", + "names": [ + "6-Carboxy-5,6,7,8-tetrahydropterin" + ] + }, + { + "compound_id": "C20240", + "inchi": "InChI=1/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/b3-2-,5-4-/f/h8H", + "name": "(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate", + "names": [ + "(2Z,4Z)-2-Hydroxyhexa-2,4-dienoate" + ] + }, + { + "compound_id": "C20241", + "inchi": "InChI=1/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3", + "name": "Tricyclene", + "names": [ + "Tricyclene" + ] + }, + { + "compound_id": "C20242", + "inchi": "InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1", + "name": "(-)-Sabinene", + "names": [ + "(-)-Sabinene" + ] + }, + { + "compound_id": "C20243", + "inchi": "InChI=1/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8?,10?,11-/m1/s1", + "name": "2-Methylisoborneol", + "names": [ + "2-Methylisoborneol" + ] + }, + { + "compound_id": "C20244", + "inchi": "InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1", + "name": "(+)-beta-Pinene", + "names": [ + "(+)-beta-Pinene" + ] + }, + { + "compound_id": "C20245", + "inchi": "InChI=1/C17H28N3O20P3/c1-6(22)18-10-14(38-41(28,29)30)12(25)7(4-21)37-16(10)39-43(33,34)40-42(31,32)35-5-8-11(24)13(26)15(36-8)20-3-2-9(23)19-17(20)27/h2-3,7-8,10-16,21,24-26H,4-5H2,1H3,(H,18,22)(H,31,32)(H,33,34)(H,19,23,27)(H2,28,29,30)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1/f/h18-19,28-29,31,33H", + "name": "UDP-N-acetyl-alpha-D-glucosamine 3'-phosphate", + "names": [ + "UDP-N-acetyl-alpha-D-glucosamine 3'-phosphate" + ] + }, + { + "compound_id": "C20246", + "inchi": "InChI=1/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2,6H,3H2,1H3,(H,9,10)(H2,11,12,13)/b5-2-/t6-/m1/s1/f/h9,11-12H", + "name": "2-[(2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate", + "names": [ + "2-[(2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate" + ] + }, + { + "compound_id": "C20247", + "inchi": "InChI=1/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)/f/h9,11-12H", + "name": "2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate", + "names": [ + "2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate" + ] + }, + { + "compound_id": "C20248", + "inchi": "InChI=1/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)/f/h9,11,13H,8H2", + "name": "7-Carboxy-7-carbaguanine", + "names": [ + "7-Carboxy-7-carbaguanine" + ] + }, + { + "compound_id": "C20249", + "inchi": "InChI=1/C3H5NO3/c4-2-1-3(5)7-6/h1-2,6H,4H2/b2-1-", + "name": "(Z)-3-Peroxyaminoacrylate", + "names": [ + "(Z)-3-Peroxyaminoacrylate" + ] + }, + { + "compound_id": "C20250", + "inchi": "InChI=1/C4H7NO3/c1-3(2-5)4(6)8-7/h2,7H,5H2,1H3/b3-2-", + "name": "(Z)-2-Methylperoxyaminoacrylate", + "names": [ + "(Z)-2-Methylperoxyaminoacrylate" + ] + }, + { + "compound_id": "C20251", + "inchi": "InChI=1/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4-,5-/m1/s1", + "name": "1-Keto-D-chiro-inositol", + "names": [ + "1-Keto-D-chiro-inositol" + ] + }, + { + "compound_id": "C20252", + "inchi": "InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1", + "name": "5-Androstene-3,17-dione", + "names": [ + "5-Androstene-3,17-dione" + ] + }, + { + "compound_id": "C20253", + "inchi": "InChI=1/C3H5NO2/c4-2-1-3(5)6/h1-2H,4H2,(H,5,6)/b2-1-/f/h5H", + "name": "Aminoacrylate", + "names": [ + "Aminoacrylate" + ] + }, + { + "compound_id": "C20254", + "inchi": "InChI=1/C4H6N2O3/c5-4(9)6-2-1-3(7)8/h1-2H,(H,7,8)(H3,5,6,9)/b2-1-/f/h6-7H,5H2", + "name": "Ureidoacrylate", + "names": [ + "Ureidoacrylate" + ] + }, + { + "compound_id": "C20258", + "inchi": "InChI=1/C7H9NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1/f/h10,12H", + "name": "(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate", + "names": [ + "(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate" + ] + }, + { + "compound_id": "C20260", + "inchi": "InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1", + "name": "(+)-Thujan-3-one", + "names": [ + "(+)-Thujan-3-one" + ] + }, + { + "compound_id": "C20261", + "inchi": "InChI=1/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-,10-/m0/s1", + "name": "(+)-Thujan-3-ol", + "names": [ + "(+)-Thujan-3-ol" + ] + }, + { + "compound_id": "C20262", + "inchi": "InChI=1/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+", + "name": "Zerumbone", + "names": [ + "Zerumbone" + ] + }, + { + "compound_id": "C20263", + "inchi": "InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6+/m0/s1/f/h11,14H,10H2", + "name": "L-threo-7,8-Dihydrobiopterin", + "names": [ + "L-threo-7,8-Dihydrobiopterin" + ] + }, + { + "compound_id": "C20264", + "inchi": "InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4?,6+/m0/s1/f/h11,14H,10H2", + "name": "L-threo-Tetrahydrobiopterin", + "names": [ + "L-threo-Tetrahydrobiopterin" + ] + }, + { + "compound_id": "C20267", + "inchi": "InChI=1/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)/f/h8H2", + "name": "4-Amino-5-aminomethyl-2-methylpyrimidine", + "names": [ + "4-Amino-5-aminomethyl-2-methylpyrimidine" + ] + }, + { + "compound_id": "C20270", + "inchi": "InChI=1/C20H38O8P2/c1-15(10-14-27-30(25,26)28-29(22,23)24)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)21/h10,16-17,21H,6-9,11-14H2,1-5H3,(H,25,26)(H2,22,23,24)/b15-10+/t16-,17+,19-,20+/m0/s1/f/h22-23,25H", + "name": "Copal-8-ol diphosphate", + "names": [ + "Copal-8-ol diphosphate" + ] + }, + { + "compound_id": "C20271", + "inchi": "InChI=1/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/t7-/m0/s1/f/h12H", + "name": "[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate", + "names": [ + "[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate" + ] + }, + { + "compound_id": "C20272", + "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1", + "name": "alpha-Muurolene", + "names": [ + "alpha-Muurolene" + ] + }, + { + "compound_id": "C20273", + "inchi": "InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1", + "name": "gamma-Muurolene", + "names": [ + "gamma-Muurolene" + ] + }, + { + "compound_id": "C20274", + "inchi": "InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1", + "name": "beta-Copaene", + "names": [ + "beta-Copaene" + ] + }, + { + "compound_id": "C20275", + "inchi": "InChI=1/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14?,15+/m0/s1", + "name": "(+)-Sativene", + "names": [ + "(+)-Sativene" + ] + }, + { + "compound_id": "C20276", + "inchi": "InChI=1/C35H56/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h14,16,18,20,22,24,27,34H,9-13,15,17,19,21,23,25-26H2,1-8H3/b29-16+,30-18+,31-20+,32-22+/t34-/m1/s1", + "name": "Tetraprenyl-beta-curcumene", + "names": [ + "Tetraprenyl-beta-curcumene" + ] + }, + { + "compound_id": "C20277", + "inchi": "InChI=1/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1/f/h9H", + "name": "(2R,3R)-3-Methylornithine", + "names": [ + "(2R,3R)-3-Methylornithine" + ] + }, + { + "compound_id": "C20278", + "inchi": "InChI=1/C12H26N4O3/c1-8(5-6-13)10(15)11(17)16-7-3-2-4-9(14)12(18)19/h8-10H,2-7,13-15H2,1H3,(H,16,17)(H,18,19)/t8-,9+,10-/m1/s1/f/h16,18H", + "name": "(2R,3R)-3-Methylornithinyl-N6-lysine", + "names": [ + "(2R,3R)-3-Methylornithinyl-N6-lysine" + ] + }, + { + "compound_id": "C20279", + "inchi": "InChI=1/C12H23N3O4/c1-8(5-7-16)10(14)11(17)15-6-3-2-4-9(13)12(18)19/h7-10H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t8-,9+,10-/m1/s1/f/h15,18H", + "name": "(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine", + "names": [ + "(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine" + ] + }, + { + "compound_id": "C20307", + "inchi": "InChI=1/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8,11,13-16H,3-7,9H2,1-2H3/t11-,13+,14+,15+/m1/s1", + "name": "Artemisinic alcohol", + "names": [ + "Artemisinic alcohol" + ] + }, + { + "compound_id": "C20308", + "inchi": "InChI=1/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3/t11-,13+,14+,15+/m1/s1", + "name": "Artemisinic aldehyde", + "names": [ + "Artemisinic aldehyde" + ] + }, + { + "compound_id": "C20309", + "inchi": "InChI=1/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12+,13+,14+/m1/s1/f/h16H", + "name": "Artemisinate", + "names": [ + "Artemisinate" + ] + }, + { + "compound_id": "C20310", + "inchi": "InChI=1/C6H13NO3/c1-3-4(2)5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H", + "name": "N-Hydroxy-L-isoleucine", + "names": [ + "N-Hydroxy-L-isoleucine" + ] + }, + { + "compound_id": "C20311", + "inchi": "InChI=1/C6H13NO4/c1-3-4(2)5(6(8)9)7(10)11/h4-5,10-11H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/f/h8H", + "name": "N,N-Dihydroxy-L-isoleucine", + "names": [ + "N,N-Dihydroxy-L-isoleucine" + ] + }, + { + "compound_id": "C20312", + "inchi": "InChI=1/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4-/t5-/m0/s1", + "name": "(Z)-2-Methylbutanal oxime", + "names": [ + "(Z)-2-Methylbutanal oxime" + ] + }, + { + "compound_id": "C20313", + "inchi": "InChI=1/C5H11NO3/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)/t4-/m0/s1/f/h7H", + "name": "N-Hydroxy-L-valine", + "names": [ + "N-Hydroxy-L-valine" + ] + }, + { + "compound_id": "C20314", + "inchi": "InChI=1/C5H11NO4/c1-3(2)4(5(7)8)6(9)10/h3-4,9-10H,1-2H3,(H,7,8)/t4-/m0/s1/f/h7H", + "name": "N,N-Dihydroxy-L-valine", + "names": [ + "N,N-Dihydroxy-L-valine" + ] + }, + { + "compound_id": "C20315", + "inchi": "InChI=1/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3/b5-3-", + "name": "(Z)-2-Methylpropanal oxime", + "names": [ + "(Z)-2-Methylpropanal oxime" + ] + }, + { + "compound_id": "C20320", + "inchi": "InChI=1/C10H14O2/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6H,4-5H2,1-3H3/t6?,10-", + "name": "Bornane-2,6-dione", + "names": [ + "Bornane-2,6-dione" + ] + }, + { + "compound_id": "C20321", + "inchi": "InChI=1/C31H48N7O19P3S/c1-16-10-20(40)55-18(31(16,4)5)11-21(41)61-9-8-33-19(39)6-7-34-28(44)25(43)30(2,3)13-53-60(50,51)57-59(48,49)52-12-17-24(56-58(45,46)47)23(42)29(54-17)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17-18,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,39)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17-,18-,23-,24-,25+,29-/m1/s1/f/h33-34,45-46,48,50H,32H2", + "name": "[(2R)-3,3,4-Trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA", + "names": [ + "[(2R)-3,3,4-Trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA" + ] + }, + { + "compound_id": "C20322", + "inchi": "InChI=1/C10H16O2/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6-7,11H,4-5H2,1-3H3/t6?,7?,10-/m0/s1", + "name": "(+)-6-exo-Hydroxycamphor", + "names": [ + "(+)-6-exo-Hydroxycamphor" + ] + }, + { + "compound_id": "C20324", + "inchi": "InChI=1/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)/t6?,7-/m0/s1/f/h12H", + "name": "[(1S)-4-Hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate", + "names": [ + "[(1S)-4-Hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate" + ] + }, + { + "compound_id": "C20325", + "inchi": "InChI=1/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3/t11-,12+,13+,14+,15+/m1/s1", + "name": "(11R)-Dihydroartemisinic aldehyde", + "names": [ + "(11R)-Dihydroartemisinic aldehyde" + ] + }, + { + "compound_id": "C20326", + "inchi": "InChI=1/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3", + "name": "2-exo-Hydroxy-1,8-cineole", + "names": [ + "2-exo-Hydroxy-1,8-cineole" + ] + }, + { + "compound_id": "C20327", + "inchi": "InChI=1/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/f/h12H", + "name": "2-Oxo-4-phenylbutyric acid", + "names": [ + "2-Oxo-4-phenylbutyric acid" + ] + }, + { + "compound_id": "C20328", + "inchi": "InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1/f/h9H", + "name": "N-Acetyl-alpha-D-glucosamine", + "names": [ + "N-Acetyl-alpha-D-glucosamine" + ] + }, + { + "compound_id": "C20329", + "inchi": "InChI=1/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-18,21-22H,5-6,8-11H2,1-4H3/t16-,17+,19+,20+/m0/s1", + "name": "Abieta-7,13-dien-18,18-diol", + "names": [ + "Abieta-7,13-dien-18,18-diol" + ] + }, + { + "compound_id": "C20330", + "inchi": "InChI=1/C6H14N4O3/c7-3(5(12)13)1-2-4(11)10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4?/m0/s1/f/h8,10,12H,9H2", + "name": "L-Hydroxyarginine", + "names": [ + "L-Hydroxyarginine" + ] + }, + { + "compound_id": "C20331", + "inchi": "InChI=1/C40H56O/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37-38(41-37)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+", + "name": "beta-Carotene-15,15'-epoxide", + "names": [ + "beta-Carotene-15,15'-epoxide" + ] + }, + { + "compound_id": "C20332", + "inchi": "InChI=1/C40H58O2/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37(41)38(42)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38,41-42H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+", + "name": "15,15'-Dihydroxy-beta-carotene", + "names": [ + "15,15'-Dihydroxy-beta-carotene" + ] + }, + { + "compound_id": "C20333", + "inchi": "InChI=1/C14H22N2O10/c1-8(17)16(26)5-3-2-4-9(12(21)22)15-10(18)6-14(25,13(23)24)7-11(19)20/h9,25-26H,2-7H2,1H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)/t9-,14?/m0/s1/f/h15,19,21,23H", + "name": "N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine", + "names": [ + "N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine" + ] + }, + { + "compound_id": "C20345", + "inchi": "InChI=1/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)/f/h6-7H", + "name": "Isopentenyl phosphate", + "names": [ + "Isopentenyl phosphate" + ] + }, + { + "compound_id": "C20350", + "inchi": "InChI=1/C12H25N3O7/c13-2-5-7(17)8(18)10(20)12(21-5)22-11-4(15)1-3(14)6(16)9(11)19/h3-12,16-20H,1-2,13-15H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1", + "name": "2'-Deamino-2'-hydroxyneamine", + "names": [ + "2'-Deamino-2'-hydroxyneamine" + ] + }, + { + "compound_id": "C20351", + "inchi": "InChI=1/C12H22N2O8/c13-3-1-4(14)11(9(19)6(3)16)22-12-10(20)8(18)7(17)5(2-15)21-12/h2-12,16-20H,1,13-14H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1", + "name": "2'-Deamino-2'-hydroxy-6'-dehydroparomamine", + "names": [ + "2'-Deamino-2'-hydroxy-6'-dehydroparomamine" + ] + }, + { + "compound_id": "C20352", + "inchi": "InChI=1/C55H92O11P2/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-63-68(61,62)66-55-54(57)53(56)52(65-55)41-64-67(58,59)60/h21,23,25,27,29,31,33,35,37,39,52-57H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,61,62)(H2,58,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54-,55+/m1/s1/f/h58-59,61H", + "name": "trans,octacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate", + "names": [ + "trans,octacis-Decaprenylphospho-beta-D-ribofuranose 5-phosphate" + ] + }, + { + "compound_id": "C20353", + "inchi": "InChI=1/C12H24N2O8/c13-3-1-4(14)11(9(19)6(3)16)22-12-10(20)8(18)7(17)5(2-15)21-12/h3-12,15-20H,1-2,13-14H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1", + "name": "2'-Deamino-2'-hydroxyparomamine", + "names": [ + "2'-Deamino-2'-hydroxyparomamine" + ] + }, + { + "compound_id": "C20354", + "inchi": "InChI=1/C12H22O10/c1-3-5(14)10(9(18)11(19)20-3)22-12-8(17)7(16)6(15)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4+,5-,6+,7-,8+,9+,10+,11?,12+/m0/s1", + "name": "3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose", + "names": [ + "3-O-alpha-D-Glucopyranosyl-L-rhamnopyranose" + ] + }, + { + "compound_id": "C20357", + "inchi": "InChI=1/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10-,12-,13-,14-,15+,16-,17-,18-/m1/s1/f/h20-22,31,33H", + "name": "UDP-N,N'-Diacetylbacillosamine", + "names": [ + "UDP-N,N'-Diacetylbacillosamine" + ] + }, + { + "compound_id": "C20359", + "inchi": "InChI=1/C17H26N4O17P2/c1-5(22)19-9-8(18)11(25)13(15(27)28)36-16(9)37-40(32,33)38-39(30,31)34-4-6-10(24)12(26)14(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-14,16,24-26H,4,18H2,1H3,(H,19,22)(H,27,28)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1/f/h19-20,27,30,32H", + "name": "UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronate", + "names": [ + "UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronate" + ] + }, + { + "compound_id": "C20361", + "inchi": "InChI=1/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3", + "name": "Pseudooxynicotine", + "names": [ + "Pseudooxynicotine" + ] + }, + { + "compound_id": "C20366", + "inchi": "InChI=1/C7H4O5/c8-5(7(10)11)3-4-1-2-6(9)12-4/h1-3H,(H,10,11)/b4-3-/f/h10H", + "name": "2-Oxo-3-(5-oxofuran-2-ylidene)propanoate", + "names": [ + "2-Oxo-3-(5-oxofuran-2-ylidene)propanoate" + ] + }, + { + "compound_id": "C20367", + "inchi": "InChI=1/C7H5NO7/c9-5(7(12)13)3-4(8(14)15)1-2-6(10)11/h1-3H,(H,10,11)(H,12,13)/b2-1+,4-3+/f/h10,12H", + "name": "4-Nitro-6-oxohepta-2,4-dienedioate", + "names": [ + "4-Nitro-6-oxohepta-2,4-dienedioate" + ] + }, + { + "compound_id": "C20368", + "inchi": "InChI=1/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54-,55+/m1/s1/f/h59H", + "name": "trans,octacis-Decaprenylphospho-beta-D-ribofuranose", + "names": [ + "trans,octacis-Decaprenylphospho-beta-D-ribofuranose" + ] + }, + { + "compound_id": "C20369", + "inchi": "InChI=1/C55H89O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-53,55-57H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,55+/m1/s1/f/h59H", + "name": "trans,octacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose", + "names": [ + "trans,octacis-Decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose" + ] + }, + { + "compound_id": "C20370", + "inchi": "InChI=1/C55H91O8P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-61-64(59,60)63-55-54(58)53(57)52(41-56)62-55/h21,23,25,27,29,31,33,35,37,39,52-58H,12-20,22,24,26,28,30,32,34,36,38,40-41H2,1-11H3,(H,59,60)/b43-23+,44-25-,45-27-,46-29-,47-31-,48-33-,49-35-,50-37-,51-39-/t52-,53-,54+,55+/m1/s1/f/h59H", + "name": "trans,octacis-Decaprenylphospho-beta-D-arabinofuranose", + "names": [ + "trans,octacis-Decaprenylphospho-beta-D-arabinofuranose" + ] + }, + { + "compound_id": "C20371", + "inchi": "InChI=1/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/t6?,7?,9-/m1/s1", + "name": "Ecgonone methyl ester", + "names": [ + "Ecgonone methyl ester" + ] + }, + { + "compound_id": "C20379", + "inchi": "InChI=1/C16H18N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8-9,13,15,17-18H,7H2,1-2H3/b10-6+/t13-,15-/m1/s1", + "name": "Chanoclavine-I aldehyde", + "names": [ + "Chanoclavine-I aldehyde" + ] + }, + { + "compound_id": "C20380", + "inchi": "InChI=1/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+/f/h18H", + "name": "Mycophenolate", + "names": [ + "Mycophenolate" + ] + }, + { + "compound_id": "C20381", + "inchi": "InChI=1/C10H8N2O6/c13-5-1-3(7(15)11-9(5)17)4-2-6(14)10(18)12-8(4)16/h1-2,13-14H,(H2,11,15,17)(H2,12,16,18)/f/h15-18H", + "name": "3,3'-Bipyridine-2,2',5,5',6,6'-hexol", + "names": [ + "3,3'-Bipyridine-2,2',5,5',6,6'-hexol" + ] + }, + { + "compound_id": "C20382", + "inchi": "InChI=1/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)/f/h4-5H", + "name": "Imidazol-2-one", + "names": [ + "Imidazol-2-one" + ] + }, + { + "compound_id": "C20383", + "inchi": "InChI=1/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1/f/h29H", + "name": "Mycophenolic acid O-acyl-glucuronide", + "names": [ + "Mycophenolic acid O-acyl-glucuronide" + ] + }, + { + "compound_id": "C20386", + "inchi": "InChI=1/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17?/m0/s1/f/h11-13H", + "name": "Biotin sulfoxide", + "names": [ + "Biotin sulfoxide" + ] + }, + { + "compound_id": "C20390", + "inchi": "InChI=1/C58H97NO12P2/c1-43(2)22-13-23-44(3)24-14-25-45(4)26-15-27-46(5)28-16-29-47(6)30-17-31-48(7)32-18-33-49(8)34-19-35-50(9)36-20-37-51(10)38-21-39-52(11)40-41-68-72(64,65)71-73(66,67)70-58-55(59-53(12)61)57(63)56(62)54(42-60)69-58/h22,24,26,28,30,32,34,36,38,40,54-58,60,62-63H,13-21,23,25,27,29,31,33,35,37,39,41-42H2,1-12H3,(H,59,61)(H,64,65)(H,66,67)/b44-24+,45-26-,46-28-,47-30-,48-32-,49-34-,50-36-,51-38-,52-40-/t54-,55-,56-,57-,58-/m1/s1/f/h59,64,66H", + "name": "N-Acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol", + "names": [ + "N-Acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol" + ] + }, + { + "compound_id": "C20394", + "inchi": "InChI=1/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1/f/h30-31,42-43,45,47H,29H2", + "name": "2-Hydroxybenzoyl-CoA", + "names": [ + "2-Hydroxybenzoyl-CoA" + ] + }, + { + "compound_id": "C20395", + "inchi": "InChI=1/C17H23N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-9,11-14,16,23,25-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,11+,12-,13+,14-,16-/m1/s1/f/h18-19,27,30,32H", + "name": "UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate", + "names": [ + "UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronate" + ] + }, + { + "compound_id": "C20396", + "inchi": "InChI=1/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)/f/h2-3H", + "name": "Methylphosphonate", + "names": [ + "Methylphosphonate" + ] + }, + { + "compound_id": "C20397", + "inchi": "InChI=1/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/t8-,10+,14-,15-/m1/s1/f/h16H", + "name": "Pentalenolactone F", + "names": [ + "Pentalenolactone F" + ] + }, + { + "compound_id": "C20398", + "inchi": "InChI=1/C15H18O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,9,11H,1,5-7H2,2-3H3,(H,16,17)/t9-,11+,15-/m1/s1/f/h16H", + "name": "Pentalenolactone E", + "names": [ + "Pentalenolactone E" + ] + }, + { + "compound_id": "C20399", + "inchi": "InChI=1/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/t8-,9-,11+,15-/m1/s1/f/h16H", + "name": "Pentalenolactone D", + "names": [ + "Pentalenolactone D" + ] + }, + { + "compound_id": "C20400", + "inchi": "InChI=1/C15H20O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,15?/m1/s1/f/h17H", + "name": "1-Deoxy-11-oxopentalenate", + "names": [ + "1-Deoxy-11-oxopentalenate" + ] + }, + { + "compound_id": "C20402", + "inchi": "InChI=1/C15H20O4/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/t8-,9+,11-,15+/m0/s1/f/h17H", + "name": "Neopentalenolactone D", + "names": [ + "Neopentalenolactone D" + ] + }, + { + "compound_id": "C20403", + "inchi": "InChI=1/C15H22O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,12-,15?/m1/s1/f/h17H", + "name": "1-Deoxy-11beta-hydroxypentalenate", + "names": [ + "1-Deoxy-11beta-hydroxypentalenate" + ] + }, + { + "compound_id": "C20404", + "inchi": "InChI=1/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15?/m1/s1/f/h16H", + "name": "1-Deoxypentalenate", + "names": [ + "1-Deoxypentalenate" + ] + }, + { + "compound_id": "C20405", + "inchi": "InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t8-,10+,11-,12-,15?/m1/s1", + "name": "Pentalenate", + "names": [ + "Pentalenate" + ] + }, + { + "compound_id": "C20406", + "inchi": "InChI=1/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+/f/h25H", + "name": "Cannabigerolate", + "names": [ + "Cannabigerolate" + ] + }, + { + "compound_id": "C20407", + "inchi": "InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1", + "name": "Pentalenolactone", + "names": [ + "Pentalenolactone" + ] + }, + { + "compound_id": "C20408", + "inchi": "InChI=1/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15-/m1/s1", + "name": "Festuclavine", + "names": [ + "Festuclavine" + ] + }, + { + "compound_id": "C20409", + "inchi": "InChI=1/C16H19N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8-10,13,15,17H,6-7H2,1-2H3/q+1/t10?,13-,15-/m1/s1", + "name": "6,8-Dimethyl-6,7-didehydroergoline", + "names": [ + "6,8-Dimethyl-6,7-didehydroergoline" + ] + }, + { + "compound_id": "C20410", + "inchi": "InChI=1/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/t15-/m0/s1/f/h20H", + "name": "4-Dimethylallyl-L-abrine", + "names": [ + "4-Dimethylallyl-L-abrine" + ] + }, + { + "compound_id": "C20411", + "inchi": "InChI=1/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+", + "name": "3-Methyl-1,2-didehydro-2,3-dihydrosqualene", + "names": [ + "3-Methyl-1,2-didehydro-2,3-dihydrosqualene" + ] + }, + { + "compound_id": "C20412", + "inchi": "InChI=1/C32H54/c1-25(2)31(9)23-21-29(7)19-13-17-27(5)15-11-12-16-28(6)18-14-20-30(8)22-24-32(10)26(3)4/h15-16,19-20,31-32H,1,3,11-14,17-18,21-24H2,2,4-10H3/b27-15+,28-16+,29-19+,30-20+", + "name": "3,22-Dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene", + "names": [ + "3,22-Dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene" + ] + }, + { + "compound_id": "C20413", + "inchi": "InChI=1/C33H52N7O20P3S/c1-4-5-6-7-19(41)12-20(42)13-21(43)14-24(45)64-11-10-35-23(44)8-9-36-31(48)28(47)33(2,3)16-57-63(54,55)60-62(52,53)56-15-22-27(59-61(49,50)51)26(46)32(58-22)40-18-39-25-29(34)37-17-38-30(25)40/h17-18,22,26-28,32,46-47H,4-16H2,1-3H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/t22-,26-,27-,28+,32-/m1/s1/f/h35-36,49-50,52,54H,34H2", + "name": "3,5,7-Trioxododecanoyl-CoA", + "names": [ + "3,5,7-Trioxododecanoyl-CoA" + ] + }, + { + "compound_id": "C20414", + "inchi": "InChI=1/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H", + "name": "4-Hydroxycoumarin", + "names": [ + "4-Hydroxycoumarin" + ] + }, + { + "compound_id": "C20415", + "inchi": "InChI=1/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1/f/h19-20,28,30H", + "name": "dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose", + "names": [ + "dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose" + ] + }, + { + "compound_id": "C20416", + "inchi": "InChI=1/C64H107NO16P2/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-76-82(72,73)81-83(74,75)80-63-57(65-55(13)67)62(59(69)56(43-66)78-63)79-64-61(71)60(70)58(68)54(12)77-64/h23,25,27,29,31,33,35,37,39,41,54,56-64,66,68-71H,14-22,24,26,28,30,32,34,36,38,40,42-43H2,1-13H3,(H,65,67)(H,72,73)(H,74,75)/b45-25+,46-27-,47-29-,48-31-,49-33-,50-35-,51-37-,52-39-,53-41-/t54-,56+,57+,58-,59+,60+,61+,62+,63+,64-/m0/s1/f/h65,72,74H", + "name": "alpha-L-Rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol", + "names": [ + "alpha-L-Rhamnopyranosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-diphospho-trans,octacis-decaprenol" + ] + }, + { + "compound_id": "C20417", + "inchi": "InChI=1/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)/f/h15H", + "name": "2,4-Dihydroxy-6-pentylbenzoate", + "names": [ + "2,4-Dihydroxy-6-pentylbenzoate" + ] + }, + { + "compound_id": "C20418", + "inchi": "InChI=1/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8+,9-,10-,11+,13+/m1/s1/f/h14-15,20H", + "name": "N,N'-Diacetyllegionaminate", + "names": [ + "N,N'-Diacetyllegionaminate" + ] + }, + { + "compound_id": "C20419", + "inchi": "InChI=1/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11+,12-,14-,15-,16-,17-,18+,19-,22-/m1/s1/f/h24-25,34,37H,23H2", + "name": "CMP-N,N'-diacetyllegionaminate", + "names": [ + "CMP-N,N'-diacetyllegionaminate" + ] + }, + { + "compound_id": "C20420", + "inchi": "InChI=1/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-/f/h56-57H", + "name": "tritrans,heptacis-Undecaprenyl phosphate", + "names": [ + "tritrans,heptacis-Undecaprenyl phosphate" + ] + }, + { + "compound_id": "C20421", + "inchi": "InChI=1/C65H108N2O11P2/c1-48(2)26-16-27-49(3)28-17-29-50(4)30-18-31-51(5)32-19-33-52(6)34-20-35-53(7)36-21-37-54(8)38-22-39-55(9)40-23-41-56(10)42-24-43-57(11)44-25-45-58(12)46-47-75-79(71,72)78-80(73,74)77-65-63(67-61(15)69)64(70)62(59(13)76-65)66-60(14)68/h26,28,30,32,34,36,38,40,42,44,46,59,62-65,70H,16-25,27,29,31,33,35,37,39,41,43,45,47H2,1-15H3,(H,66,68)(H,67,69)(H,71,72)(H,73,74)/b49-28+,50-30+,51-32+,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-,58-46-/t59-,62-,63-,64+,65-/m1/s1/f/h66-67,71,73H", + "name": "N,N'-Diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol", + "names": [ + "N,N'-Diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol" + ] + }, + { + "compound_id": "C20422", + "inchi": "InChI=1/C6H16O16P4/c1-23(9,10)20-6-5(8)4(7)3(19-6)2-18-25(14,15)22-26(16,17)21-24(11,12)13/h3-8H,2H2,1H3,(H,9,10)(H,14,15)(H,16,17)(H2,11,12,13)/t3-,4-,5-,6-/m1/s1/f/h9,11-12,14,16H", + "name": "alpha-D-Ribose 1-methylphosphonate 5-triphosphate", + "names": [ + "alpha-D-Ribose 1-methylphosphonate 5-triphosphate" + ] + }, + { + "compound_id": "C20423", + "inchi": "InChI=1/C6H14O10P2/c1-17(9,10)16-6-5(8)4(7)3(15-6)2-14-18(11,12)13/h3-8H,2H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,5-,6-/m1/s1/f/h9,11-12H", + "name": "alpha-D-Ribose 1-methylphosphonate 5-phosphate", + "names": [ + "alpha-D-Ribose 1-methylphosphonate 5-phosphate" + ] + }, + { + "compound_id": "C20424", + "inchi": "InChI=1/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8+,9+,10+/m1/s1/f/h11-12H", + "name": "2,4-Diacetamido-2,4,6-trideoxy-D-mannopyranose", + "names": [ + "2,4-Diacetamido-2,4,6-trideoxy-D-mannopyranose" + ] + }, + { + "compound_id": "C20427", + "inchi": "InChI=1/C73H121N3O16P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-87-93(83,84)92-94(85,86)91-73-68(76-64(16)80)71(66(61(13)88-73)74-62(14)78)90-72-67(75-63(15)79)70(82)69(81)65(49-77)89-72/h27,29,31,33,35,37,39,41,43,45,47,61,65-73,77,81-82H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,74,78)(H,75,79)(H,76,80)(H,83,84)(H,85,86)/b51-29+,52-31+,53-33+,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66-,67-,68-,69+,70-,71+,72-,73-/m1/s1/f/h74-76,83,85H", + "name": "N-Acetyl-D-galactosaminyl-alpha-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol", + "names": [ + "N-Acetyl-D-galactosaminyl-alpha-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyldiphospho-tritrans,heptacis-undecaprenol" + ] + }, + { + "compound_id": "C20432", + "inchi": "InChI=1/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22,24,29H,1,11-14,17-18,20,23H2,2-9H3/b24-22+,27-19+,28-21+/t29-,30?/m1/s1", + "name": "C30 Botryococcene", + "names": [ + "C30 Botryococcene" + ] + }, + { + "compound_id": "C20433", + "inchi": "InChI=1/C31H52/c1-11-31(10,23-14-19-27(6)16-12-15-25(2)3)24-22-29(8)18-13-17-28(7)20-21-30(9)26(4)5/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-19+,28-17+/t29-,30?,31?/m1/s1", + "name": "3-Methyl-1,2-didehydro-2,3-dihydrobotryococcene", + "names": [ + "3-Methyl-1,2-didehydro-2,3-dihydrobotryococcene" + ] + }, + { + "compound_id": "C20434", + "inchi": "InChI=1/C31H52/c1-11-31(10,23-14-19-28(7)20-21-30(9)26(4)5)24-22-29(8)18-13-17-27(6)16-12-15-25(2)3/h11,15,17,19,22,24,29-30H,1,4,12-14,16,18,20-21,23H2,2-3,5-10H3/b24-22+,27-17+,28-19+/t29-,30?,31?/m1/s1", + "name": "20-Methyl-21,22-didehydro-20,21-dihydrobotryococcene", + "names": [ + "20-Methyl-21,22-didehydro-20,21-dihydrobotryococcene" + ] + }, + { + "compound_id": "C20435", + "inchi": "InChI=1/C32H54/c1-12-32(11,23-14-17-28(7)19-21-31(10)26(4)5)24-22-29(8)16-13-15-27(6)18-20-30(9)25(2)3/h12,15,17,22,24,29-31H,1-2,4,13-14,16,18-21,23H2,3,5-11H3/b24-22+,27-15+,28-17+/t29-,30?,31?,32?/m1/s1", + "name": "3,20-Dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene", + "names": [ + "3,20-Dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene" + ] + }, + { + "compound_id": "C20436", + "inchi": "InChI=1/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18+/m1/s1", + "name": "Fumigaclavine A", + "names": [ + "Fumigaclavine A" + ] + }, + { + "compound_id": "C20437", + "inchi": "InChI=1/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/t9-,13-,15-,16+/m1/s1", + "name": "Fumigaclavine B", + "names": [ + "Fumigaclavine B" + ] + }, + { + "compound_id": "C20438", + "inchi": "InChI=1/C23H30N2O2/c1-7-23(4,5)22-16-11-18-20(15-9-8-10-17(24-22)19(15)16)21(27-14(3)26)13(2)12-25(18)6/h7-10,13,18,20-21,24H,1,11-12H2,2-6H3/t13-,18-,20-,21+/m1/s1", + "name": "Fumigaclavine C", + "names": [ + "Fumigaclavine C" + ] + }, + { + "compound_id": "C20440", + "inchi": "InChI=1/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1/f/h7-8,10H", + "name": "alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate", + "names": [ + "alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate" + ] + }, + { + "compound_id": "C20441", + "inchi": "InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2", + "name": "Furfuryl alcohol", + "names": [ + "Furfuryl alcohol" + ] + }, + { + "compound_id": "C20443", + "inchi": "InChI=1/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2", + "name": "5-Hydroxymethylfurfuryl alcohol", + "names": [ + "5-Hydroxymethylfurfuryl alcohol" + ] + }, + { + "compound_id": "C20444", + "inchi": "InChI=1/C17H12O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-3,6-7,17-19H,4-5H2/t7-,17+/m0/s1", + "name": "Dihydrodemethylsterigmatocystin", + "names": [ + "Dihydrodemethylsterigmatocystin" + ] + }, + { + "compound_id": "C20445", + "inchi": "InChI=1/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3/t8-,18+/m0/s1", + "name": "Dihydrosterigmatocystin", + "names": [ + "Dihydrosterigmatocystin" + ] + }, + { + "compound_id": "C20447", + "inchi": "InChI=1/C26H40N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,38-39H,3-10H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,18-,19-,20+,24-/m1/s1/f/h28-29,36,42-43,45,47H,27H2", + "name": "2-Oxoglutaryl-CoA", + "names": [ + "2-Oxoglutaryl-CoA" + ] + }, + { + "compound_id": "C20448", + "inchi": "InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)/f/h8H", + "name": "5-Hydroxymethyl-2-furoate", + "names": [ + "5-Hydroxymethyl-2-furoate" + ] + }, + { + "compound_id": "C20449", + "inchi": "InChI=1/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)/f/h8H", + "name": "5-Formyl-2-furoate", + "names": [ + "5-Formyl-2-furoate" + ] + }, + { + "compound_id": "C20450", + "inchi": "InChI=1/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)/f/h7,9H", + "name": "2,5-Furandicarboxylate", + "names": [ + "2,5-Furandicarboxylate" + ] + }, + { + "compound_id": "C20452", + "inchi": "InChI=1/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3", + "name": "Norsolorinic acid", + "names": [ + "Norsolorinic acid" + ] + }, + { + "compound_id": "C20453", + "inchi": "InChI=1/C20H20O6/c1-2-3-4-5-13(22)18-14(23)8-11-6-10-7-12(21)9-15(24)16(10)19(25)17(11)20(18)26/h7-9,21,23-24,26H,2-6H2,1H3", + "name": "Norsolorinic acid anthrone", + "names": [ + "Norsolorinic acid anthrone" + ] + }, + { + "compound_id": "C20454", + "inchi": "InChI=1/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1", + "name": "(-)-Lariciresinol", + "names": [ + "(-)-Lariciresinol" + ] + }, + { + "compound_id": "C20455", + "inchi": "InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1", + "name": "(-)-Pinoresinol", + "names": [ + "(-)-Pinoresinol" + ] + }, + { + "compound_id": "C20456", + "inchi": "InChI=1/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1", + "name": "(+)-Secoisolariciresinol", + "names": [ + "(+)-Secoisolariciresinol" + ] + }, + { + "compound_id": "C20457", + "inchi": "InChI=1/C16H17N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8-9,13,15,17H,7H2,1-2H3/q+1/t13-,15-/m1/s1", + "name": "6,8-Dimethyl-6,7,8,9-tetradehydroergoline", + "names": [ + "6,8-Dimethyl-6,7,8,9-tetradehydroergoline" + ] + }, + { + "compound_id": "C20462", + "inchi": "InChI=1/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3", + "name": "5,7-Dihydroxy-2-methyl-4H-chromen-4-one", + "names": [ + "5,7-Dihydroxy-2-methyl-4H-chromen-4-one" + ] + }, + { + "compound_id": "C20463", + "inchi": "InChI=1/C10H12N4O3/c15-3-8-7(16)1-9(17-8)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15-16H,1,3H2/t7-,8+,9+/m0/s1", + "name": "Purine deoxyribonucleoside", + "names": [ + "Purine deoxyribonucleoside" + ] + }, + { + "compound_id": "C20464", + "inchi": "InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2-7,10H,1H3/b3-2+", + "name": "Isochavicol", + "names": [ + "Isochavicol" + ] + }, + { + "compound_id": "C20465", + "inchi": "InChI=1/C11H12O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h2-7,13H,8H2,1H3/b3-2+", + "name": "Coumaryl acetate", + "names": [ + "Coumaryl acetate" + ] + }, + { + "compound_id": "C20466", + "inchi": "InChI=1/C46H78NO8P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-52-33-44(34-54-56(50,51)55-35-45(47)46(48)49)53-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h17-18,21-22,25-26,29-30,44-45H,11-16,19-20,23-24,27-28,31-35,47H2,1-10H3,(H,48,49)(H,50,51)/b38-21+,39-22+,40-25+,41-26+,42-29+,43-30+/t44-,45-/m0/s1/f/h48,50H", + "name": "2,3-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine", + "names": [ + "2,3-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine" + ] + }, + { + "compound_id": "C20468", + "inchi": "InChI=1/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20+,21+,22-,24-,25+,26-/m1/s1/fC26H29O15/h28-31H/q+1", + "name": "Cyanidin 3-O-(beta-D-xylosyl-(1->2)-beta-D-galactoside)", + "names": [ + "Cyanidin 3-O-(beta-D-xylosyl-(1->2)-beta-D-galactoside)" + ] + }, + { + "compound_id": "C20469", + "inchi": "InChI=1/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-16(41-27-24(38)22(36)20(34)18(8-29)43-27)25(40-15(11)5-10)9-1-2-12(30)14(32)3-9/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1/fC27H31O16/h30-32H/q+1", + "name": "Cyanidin 3,7-di-O-beta-D-glucoside", + "names": [ + "Cyanidin 3,7-di-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C20470", + "inchi": "InChI=1/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1", + "name": "1-O-Vanilloyl-beta-D-glucose", + "names": [ + "1-O-Vanilloyl-beta-D-glucose" + ] + }, + { + "compound_id": "C20475", + "inchi": "InChI=1/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3/t25-,27+,28-,29+,30-,32+,33-,34+,35-/m1/s1", + "name": "Sporulenol", + "names": [ + "Sporulenol" + ] + }, + { + "compound_id": "C20476", + "inchi": "InChI=1/C15H24/c1-10-7-11-8-14(2,3)9-13(11)15(4)6-5-12(10)15/h11,13H,5-9H2,1-4H3/t11-,13+,15+/m1/s1", + "name": "Delta6-Protoilludene", + "names": [ + "Delta6-Protoilludene" + ] + }, + { + "compound_id": "C20477", + "inchi": "InChI=1/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15-/m1/s1", + "name": "(-)-alpha-Isocomene", + "names": [ + "(-)-alpha-Isocomene" + ] + }, + { + "compound_id": "C20478", + "inchi": "InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1", + "name": "(E)-2-epi-beta-Caryophyllene", + "names": [ + "(E)-2-epi-beta-Caryophyllene" + ] + }, + { + "compound_id": "C20479", + "inchi": "InChI=1/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15-/m0/s1", + "name": "(+)-epi-alpha-Bisabolol", + "names": [ + "(+)-epi-alpha-Bisabolol" + ] + }, + { + "compound_id": "C20480", + "inchi": "InChI=1/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h9,11,13-14H,5-8H2,1-4H3/t11-,13+,14-/m1/s1", + "name": "Valerena-4,7(11)-diene", + "names": [ + "Valerena-4,7(11)-diene" + ] + }, + { + "compound_id": "C20481", + "inchi": "InChI=1/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19-,20+/m0/s1", + "name": "cis-Abienol", + "names": [ + "cis-Abienol" + ] + }, + { + "compound_id": "C20482", + "inchi": "InChI=1/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/f/h35,37H,22-23H2", + "name": "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide", + "names": [ + "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide" + ] + }, + { + "compound_id": "C20483", + "inchi": "InChI=1/C21H32N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)10(44-21)5-42-49(39,40)46-48(37,38)41-4-9-13(30)15(32)20(43-9)27-3-8(18(23)33)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-32H,1-2,4-5H2,(H2,23,33)(H,37,38)(H,39,40)(H2,22,24,25)(H2,34,35,36)/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/f/h34-35,37,39H,22-23H2", + "name": "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphate", + "names": [ + "(6R)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphate" + ] + }, + { + "compound_id": "C20484", + "inchi": "InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+", + "name": "9-cis-beta-Carotene", + "names": [ + "9-cis-beta-Carotene" + ] + }, + { + "compound_id": "C20485", + "inchi": "InChI=1/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m0/s1/f/h8,10H", + "name": "(4S)-4-Hydroxy-2-oxoglutarate", + "names": [ + "(4S)-4-Hydroxy-2-oxoglutarate" + ] + }, + { + "compound_id": "C20486", + "inchi": "InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15-/m1/s1", + "name": "7-Epizingiberene", + "names": [ + "7-Epizingiberene" + ] + }, + { + "compound_id": "C20487", + "inchi": "InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/f/h11H", + "name": "L-beta-Phenylalanine", + "names": [ + "L-beta-Phenylalanine" + ] + }, + { + "compound_id": "C20488", + "inchi": "InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/f/h11H", + "name": "D-beta-Phenylalanine", + "names": [ + "D-beta-Phenylalanine" + ] + }, + { + "compound_id": "C20489", + "inchi": "InChI=1/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1/fC26H29O14/h28-30H/q+1", + "name": "Pelargonidin 3-O-beta-D-sambubioside", + "names": [ + "Pelargonidin 3-O-beta-D-sambubioside" + ] + }, + { + "compound_id": "C20490", + "inchi": "InChI=1/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1/fC26H29O15/h28-31H/q+1", + "name": "Cyanidin 3-O-beta-D-sambubioside", + "names": [ + "Cyanidin 3-O-beta-D-sambubioside" + ] + }, + { + "compound_id": "C20491", + "inchi": "InChI=1/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19+,20-,21+,22-,24-,25+,26-/m1/s1/fC26H29O16/h28-31,33H/q+1", + "name": "Delphinidin 3-O-beta-D-sambubioside", + "names": [ + "Delphinidin 3-O-beta-D-sambubioside" + ] + }, + { + "compound_id": "C20492", + "inchi": "InChI=1/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1/fC32H39O19/h35-36H/q+1", + "name": "Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside", + "names": [ + "Pelargonidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside" + ] + }, + { + "compound_id": "C20493", + "inchi": "InChI=1/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1/fC32H39O20/h35-37H/q+1", + "name": "Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside", + "names": [ + "Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside" + ] + }, + { + "compound_id": "C20494", + "inchi": "InChI=1/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1/t14-,18-,19-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1/fC32H39O21/h35-37,39H/q+1", + "name": "Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside", + "names": [ + "Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside" + ] + }, + { + "compound_id": "C20495", + "inchi": "InChI=1/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-12-5-14(31)13-7-16(40-27-24(37)22(35)20(33)18(9-29)42-27)25(39-15(13)6-12)10-1-3-11(30)4-2-10/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1/fC27H31O15/h30-31H/q+1", + "name": "Pelargonidin 3,7-di-O-beta-D-glucoside", + "names": [ + "Pelargonidin 3,7-di-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C20496", + "inchi": "InChI=1/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1/fC27H31O17/h30-33H/q+1", + "name": "Delphinidin 3,7-di-O-beta-D-glucoside", + "names": [ + "Delphinidin 3,7-di-O-beta-D-glucoside" + ] + }, + { + "compound_id": "C20497", + "inchi": "InChI=1/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/b49-27+,50-29+,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-,58-45-/t61-,62+,63-,64-,65-,66+,67-,68+,70-,71-/m1/s1/f/h72-73,80,82,84H", + "name": "N-Acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "N-Acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20498", + "inchi": "InChI=1/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1/f/h80-82,91,93,95H", + "name": "4-Acetamido-4,6-dideoxy-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "4-Acetamido-4,6-dideoxy-alpha-D-galactosyl-(1->4)-N-acetyl-beta-D-mannosaminuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20499", + "inchi": "InChI=1/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/t12-/m0/s1", + "name": "(1'S)-Averantin", + "names": [ + "(1'S)-Averantin" + ] + }, + { + "compound_id": "C20500", + "inchi": "InChI=1/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12-/m0/s1", + "name": "(1'S,5'S)-5'-Hydroxyaverantin", + "names": [ + "(1'S,5'S)-5'-Hydroxyaverantin" + ] + }, + { + "compound_id": "C20501", + "inchi": "InChI=1/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12+/m1/s1", + "name": "(1'S,5'R)-5'-Hydroxyaverantin", + "names": [ + "(1'S,5'R)-5'-Hydroxyaverantin" + ] + }, + { + "compound_id": "C20502", + "inchi": "InChI=1/C20H18O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-7,12,22-25,28H,2-4H2,1H3/t12-/m0/s1", + "name": "5'-Oxoaverantin", + "names": [ + "5'-Oxoaverantin" + ] + }, + { + "compound_id": "C20503", + "inchi": "InChI=1/C20H16O8/c1-7(21)2-3-9-15-13(28-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/t9-,20-/m0/s1", + "name": "1'-Hydroxyversicolorone", + "names": [ + "1'-Hydroxyversicolorone" + ] + }, + { + "compound_id": "C20504", + "inchi": "InChI=1/C20H18O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/t9-/m1/s1", + "name": "Versicolorone", + "names": [ + "Versicolorone" + ] + }, + { + "compound_id": "C20505", + "inchi": "InChI=1/C20H16O9/c1-7(21)28-3-2-9-15-13(29-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/t9-,20-/m0/s1", + "name": "Versiconal hemiacetal acetate", + "names": [ + "Versiconal hemiacetal acetate" + ] + }, + { + "compound_id": "C20506", + "inchi": "InChI=1/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/t9-/m1/s1", + "name": "Versiconol acetate", + "names": [ + "Versiconol acetate" + ] + }, + { + "compound_id": "C20507", + "inchi": "InChI=1/C18H14O8/c19-2-1-7-13-11(26-18(7)25)5-9-14(17(13)24)16(23)12-8(15(9)22)3-6(20)4-10(12)21/h3-5,7,18-21,24-25H,1-2H2/t7-,18-/m0/s1", + "name": "Versiconal", + "names": [ + "Versiconal" + ] + }, + { + "compound_id": "C20508", + "inchi": "InChI=1/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2/t7-/m1/s1", + "name": "Versiconol", + "names": [ + "Versiconol" + ] + }, + { + "compound_id": "C20509", + "inchi": "InChI=1/C18H34N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-12,14-18,23-27,29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,14-,15+,16-,17-,18-/m1/s1", + "name": "2'-Dehydrokanamycin A", + "names": [ + "2'-Dehydrokanamycin A" + ] + }, + { + "compound_id": "C20510", + "inchi": "InChI=1/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1", + "name": "30-Hydroxy-11-oxo-beta-amyrin", + "names": [ + "30-Hydroxy-11-oxo-beta-amyrin" + ] + }, + { + "compound_id": "C20511", + "inchi": "InChI=1/C30H46O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,18,20,22-24,33H,8-15,17H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1", + "name": "Glycyrrhetaldehyde", + "names": [ + "Glycyrrhetaldehyde" + ] + }, + { + "compound_id": "C20512", + "inchi": "InChI=1/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1/f/h23H", + "name": "Tryprostatin B", + "names": [ + "Tryprostatin B" + ] + }, + { + "compound_id": "C20513", + "inchi": "InChI=1/C21H25N3O3/c1-12(2)5-8-16-15(14-7-6-13(25)10-17(14)22-16)11-18-21(27)24-9-3-4-19(24)20(26)23-18/h5-7,10,18-19,22,25H,3-4,8-9,11H2,1-2H3,(H,23,26)/t18-,19-/m0/s1/f/h23H", + "name": "6-Hydroxytryprostatin B", + "names": [ + "6-Hydroxytryprostatin B" + ] + }, + { + "compound_id": "C20514", + "inchi": "InChI=1/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1/f/h13-14H", + "name": "Cyclo(L-leucyl-L-leucyl)", + "names": [ + "Cyclo(L-leucyl-L-leucyl)" + ] + }, + { + "compound_id": "C20515", + "inchi": "InChI=1/C12H20N2O4/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17/h7-8,15-16H,5-6H2,1-4H3", + "name": "Pulcherriminic acid", + "names": [ + "Pulcherriminic acid" + ] + }, + { + "compound_id": "C20516", + "inchi": "InChI=1/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1/f/h19-20H", + "name": "Cyclo(L-tyrosyl-L-tyrosyl)", + "names": [ + "Cyclo(L-tyrosyl-L-tyrosyl)" + ] + }, + { + "compound_id": "C20517", + "inchi": "InChI=1/C18H16N2O4/c21-15-3-1-9-5-11(15)12-6-10(2-4-16(12)22)8-14-18(24)19-13(7-9)17(23)20-14/h1-6,13-14,21-22H,7-8H2,(H,19,24)(H,20,23)/t13-,14-/m0/s1/f/h19-20H", + "name": "Mycocyclosin", + "names": [ + "Mycocyclosin" + ] + }, + { + "compound_id": "C20518", + "inchi": "InChI=1/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1/f/h44-45H", + "name": "2,3-Bis-(O-phytanyl)-sn-glycerol 1-phosphate", + "names": [ + "2,3-Bis-(O-phytanyl)-sn-glycerol 1-phosphate" + ] + }, + { + "compound_id": "C20519", + "inchi": "InChI=1/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1/f/h16-17H", + "name": "Cyclo(L-leucyl-L-phenylalanyl)", + "names": [ + "Cyclo(L-leucyl-L-phenylalanyl)" + ] + }, + { + "compound_id": "C20520", + "inchi": "InChI=1/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-/f/h16-17H", + "name": "Albonoursin", + "names": [ + "Albonoursin" + ] + }, + { + "compound_id": "C20521", + "inchi": "InChI=1/C15H18N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/b13-9-/t12-/m0/s1/f/h16-17H", + "name": "Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]", + "names": [ + "Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]" + ] + }, + { + "compound_id": "C20525", + "inchi": "InChI=1/C28H39N/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29-28-18-7-6-17-27(26)28/h6-7,11,13,15,17-19,21,29H,8-10,12,14,16,20H2,1-5H3/b23-13+,24-15+,25-19+", + "name": "3-Geranylgeranylindole", + "names": [ + "3-Geranylgeranylindole" + ] + }, + { + "compound_id": "C20526", + "inchi": "InChI=1/C28H39NO/c1-21(2)10-9-19-28(5)27(30-28)18-16-23(4)12-8-11-22(3)15-17-24-20-29-26-14-7-6-13-25(24)26/h6-7,10,12-15,20,27,29H,8-9,11,16-19H2,1-5H3/b22-15+,23-12+/t27-,28-/m0/s1", + "name": "10,11-Epoxy-3-geranylgeranylindole", + "names": [ + "10,11-Epoxy-3-geranylgeranylindole" + ] + }, + { + "compound_id": "C20527", + "inchi": "InChI=1/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1", + "name": "Emindole SB", + "names": [ + "Emindole SB" + ] + }, + { + "compound_id": "C20529", + "inchi": "InChI=1/C28H39NO2/c1-25(2)23(31-25)13-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-12-22(26)30/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23+,26-,27-,28+/m0/s1", + "name": "14,15-Epoxyemindole SB", + "names": [ + "14,15-Epoxyemindole SB" + ] + }, + { + "compound_id": "C20530", + "inchi": "InChI=1/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1", + "name": "Paspaline", + "names": [ + "Paspaline" + ] + }, + { + "compound_id": "C20531", + "inchi": "InChI=1/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1", + "name": "13-Desoxypaxilline", + "names": [ + "13-Desoxypaxilline" + ] + }, + { + "compound_id": "C20532", + "inchi": "InChI=1/C37H51NO5/c1-20(2)9-11-22-12-14-26-28(24(22)13-10-21(3)4)25-19-23-15-18-36(41)34(7,35(23,8)30(25)38-26)17-16-27-37(36)32(43-37)29(39)31(42-27)33(5,6)40/h9-10,12,14,23,27,29,31-32,38-41H,11,13,15-19H2,1-8H3/t23-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1", + "name": "20,21-Diprenylterpendole I", + "names": [ + "20,21-Diprenylterpendole I" + ] + }, + { + "compound_id": "C20534", + "inchi": "InChI=1/C27H35NO2/c1-25(2,29)23-12-10-18-20-11-9-16-15-19-17-7-5-6-8-21(17)28-24(19)27(16,4)26(20,3)14-13-22(18)30-23/h5-8,10,16,20,22-23,28-29H,9,11-15H2,1-4H3/t16-,20-,22-,23-,26-,27+/m0/s1", + "name": "12-Demethyl-11,12-dehydropaspaline", + "names": [ + "12-Demethyl-11,12-dehydropaspaline" + ] + }, + { + "compound_id": "C20535", + "inchi": "InChI=1/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3/t15-,19-,21+,22-,24-,26-,27+/m0/s1", + "name": "beta-PC-M6", + "names": [ + "beta-PC-M6" + ] + }, + { + "compound_id": "C20536", + "inchi": "InChI=1/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1", + "name": "Terpendole E", + "names": [ + "Terpendole E" + ] + }, + { + "compound_id": "C20542", + "inchi": "InChI=1/C27H35NO4/c1-24(2,30)22-20(29)23-27(32-23)18-10-9-14-13-16-15-7-5-6-8-17(15)28-21(16)26(14,4)25(18,3)12-11-19(27)31-22/h5-8,14,18-20,22-23,28-30H,9-13H2,1-4H3/t14-,18+,19-,20+,22-,23+,25-,26+,27-/m0/s1", + "name": "13-Desoxyterpendole I", + "names": [ + "13-Desoxyterpendole I" + ] + }, + { + "compound_id": "C20543", + "inchi": "InChI=1/C27H35NO5/c1-23(2,30)21-19(29)22-27(33-22)18(32-21)10-11-24(3)25(4)14(9-12-26(24,27)31)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,18-19,21-22,28-31H,9-13H2,1-4H3/t14-,18-,19+,21-,22+,24+,25+,26-,27-/m0/s1", + "name": "Terpendole I", + "names": [ + "Terpendole I" + ] + }, + { + "compound_id": "C20545", + "inchi": "InChI=1/C32H43NO5/c1-18(2)13-16-36-28(3,4)26-24(34)27-32(38-27)23(37-26)12-14-29(5)30(6)19(11-15-31(29,32)35)17-21-20-9-7-8-10-22(20)33-25(21)30/h7-10,13,19,23-24,26-27,33-35H,11-12,14-17H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1", + "name": "Terpendole J", + "names": [ + "Terpendole J" + ] + }, + { + "compound_id": "C20546", + "inchi": "InChI=1/C32H41NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1", + "name": "Terpendole C", + "names": [ + "Terpendole C" + ] + }, + { + "compound_id": "C20548", + "inchi": "InChI=1/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21+,23-,25-,27+,29-,30+,34+,35+,36-,37-/m0/s1", + "name": "Lolitriol", + "names": [ + "Lolitriol" + ] + }, + { + "compound_id": "C20550", + "inchi": "InChI=1/C42H57NO7/c1-21(2)15-18-47-38(7,8)34-32(45)35-42(49-35)28(48-34)14-16-39(9)40(10)22(13-17-41(39,42)46)19-25-29-24-20-26-30(37(5,6)50-36(26,3)4)31(44)23(24)11-12-27(29)43-33(25)40/h11-12,15,22,26,28,30,32,34-35,43,45-46H,13-14,16-20H2,1-10H3/t22-,26+,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1", + "name": "Lolitrem E", + "names": [ + "Lolitrem E" + ] + }, + { + "compound_id": "C20551", + "inchi": "InChI=1/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1", + "name": "Lolitrem B", + "names": [ + "Lolitrem B" + ] + }, + { + "compound_id": "C20552", + "inchi": "InChI=1/C32H39NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,12,15,18,23-24,26-27,33-34H,11,13-14,16H2,1-6H3/t18-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1", + "name": "Terpendole K", + "names": [ + "Terpendole K" + ] + }, + { + "compound_id": "C20553", + "inchi": "InChI=1/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1", + "name": "Paspalicine", + "names": [ + "Paspalicine" + ] + }, + { + "compound_id": "C20554", + "inchi": "InChI=1/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3/t15-,22-,24+,25+,26+,27-/m0/s1", + "name": "Paspalinine", + "names": [ + "Paspalinine" + ] + }, + { + "compound_id": "C20555", + "inchi": "InChI=1/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1", + "name": "Aflatrem", + "names": [ + "Aflatrem" + ] + }, + { + "compound_id": "C20559", + "inchi": "InChI=1/C11H16NO7P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-11,13-14H,5,12H2,(H2,15,16,17)/t8-,9-,10-,11+/m1/s1/f/h15-16H", + "name": "4-(beta-D-Ribofuranosyl)aniline 5'-phosphate", + "names": [ + "4-(beta-D-Ribofuranosyl)aniline 5'-phosphate" + ] + }, + { + "compound_id": "C20560", + "inchi": "InChI=1/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)/f/h10,13H,11H2", + "name": "N1-(3-Aminopropyl)agmatine", + "names": [ + "N1-(3-Aminopropyl)agmatine" + ] + }, + { + "compound_id": "C20561", + "inchi": "InChI=1/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1", + "name": "21,22-Diprenylpaxilline", + "names": [ + "21,22-Diprenylpaxilline" + ] + }, + { + "compound_id": "C20562", + "inchi": "InChI=1/C18H23N6O8P/c19-18-23-16-12(17(27)24-18)22-10(6-21-16)5-20-9-3-1-8(2-4-9)15-14(26)13(25)11(32-15)7-31-33(28,29)30/h1-4,11,13-15,20,25-26H,5-7H2,(H2,28,29,30)(H4,19,21,23,24,27)/t11-,13-,14-,15+/m1/s1/f/h21,24,28-29H,19H2", + "name": "N-[(7,8-Dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate", + "names": [ + "N-[(7,8-Dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate" + ] + }, + { + "compound_id": "C20563", + "inchi": "InChI=1/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1/f/h18H", + "name": "Brevianamide F", + "names": [ + "Brevianamide F" + ] + }, + { + "compound_id": "C20564", + "inchi": "InChI=1/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1", + "name": "Fumitremorgin A", + "names": [ + "Fumitremorgin A" + ] + }, + { + "compound_id": "C20565", + "inchi": "InChI=1/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1/f/h33,35H,21-22H2", + "name": "Cyclic di-3',5'-adenylate", + "names": [ + "Cyclic di-3',5'-adenylate" + ] + }, + { + "compound_id": "C20566", + "inchi": "InChI=1/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(2-15)21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1/f/h11,14,18-19H,10H2", + "name": "7,8-Dihydroneopterin 2'-phosphate", + "names": [ + "7,8-Dihydroneopterin 2'-phosphate" + ] + }, + { + "compound_id": "C20567", + "inchi": "InChI=1/C9H12N5O6P/c10-9-13-7-5(8(16)14-9)12-3(1-11-7)6(15)4-2-19-21(17,18)20-4/h4,6,15H,1-2H2,(H,17,18)(H4,10,11,13,14,16)/t4-,6+/m1/s1/f/h11,14,17H,10H2", + "name": "7,8-Dihydroneopterin 2',3'-cyclic phosphate", + "names": [ + "7,8-Dihydroneopterin 2',3'-cyclic phosphate" + ] + }, + { + "compound_id": "C20568", + "inchi": "InChI=1/C10H18O9/c11-1-3-5(13)7(15)10(18-3)19-8-6(14)4(2-12)17-9(8)16/h3-16H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10+/m0/s1", + "name": "beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranose", + "names": [ + "beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranose" + ] + }, + { + "compound_id": "C20569", + "inchi": "InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m0/s1", + "name": "beta-L-Arabinofuranose", + "names": [ + "beta-L-Arabinofuranose" + ] + }, + { + "compound_id": "C20574", + "inchi": "InChI=1/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12?,20-/m0/s1", + "name": "(1'S,5'S)-Averufin", + "names": [ + "(1'S,5'S)-Averufin" + ] + }, + { + "compound_id": "C20575", + "inchi": "InChI=1/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/t7-,18+/m0/s1", + "name": "Versicolorin B", + "names": [ + "Versicolorin B" + ] + }, + { + "compound_id": "C20576", + "inchi": "InChI=1/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14-16H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-,15+/m1/s1", + "name": "Kunzeaol", + "names": [ + "Kunzeaol" + ] + }, + { + "compound_id": "C20577", + "inchi": "InChI=1/C11H18O8/c1-5(2-3-12)10(16)18-4-6-7(13)8(14)9(15)11(17)19-6/h6-9,11-15,17H,1-4H2/t6-,7-,8+,9-,11?/m1/s1", + "name": "6-Tuliposide A", + "names": [ + "6-Tuliposide A" + ] + }, + { + "compound_id": "C20578", + "inchi": "InChI=1/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2", + "name": "Tulipalin A", + "names": [ + "Tulipalin A" + ] + }, + { + "compound_id": "C20579", + "inchi": "InChI=1/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m0/s1/f/h18H", + "name": "Cyclopeptine", + "names": [ + "Cyclopeptine" + ] + }, + { + "compound_id": "C20581", + "inchi": "InChI=1/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/b5-4-/f/h9,11,13H", + "name": "cis-(Homo)2-aconitate", + "names": [ + "cis-(Homo)2-aconitate" + ] + }, + { + "compound_id": "C20582", + "inchi": "InChI=1/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)/b6-5-/f/h10,12,14H", + "name": "cis-(Homo)3-aconitate", + "names": [ + "cis-(Homo)3-aconitate" + ] + }, + { + "compound_id": "C20583", + "inchi": "InChI=1/C18H10O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h1-5,7,18-20,23H/t7-,18+/m0/s1", + "name": "Versicolorin A", + "names": [ + "Versicolorin A" + ] + }, + { + "compound_id": "C20587", + "inchi": "InChI=1/C28H37NO3/c1-25(2,31)22-12-14-28(16-30)21-10-9-17-15-19-18-7-5-6-8-20(18)29-24(19)27(17,4)26(21,3)13-11-23(28)32-22/h5-8,16-17,21-23,29,31H,9-15H2,1-4H3/t17-,21+,22-,23-,26-,27+,28+/m0/s1", + "name": "Paspaline B", + "names": [ + "Paspaline B" + ] + }, + { + "compound_id": "C20589", + "inchi": "InChI=1/C6H14NO9P/c7-3(6(11)12)5(10)4(9)2(8)1-16-17(13,14)15/h2-5,8-10H,1,7H2,(H,11,12)(H2,13,14,15)/t2-,3-,4-,5-/m1/s1/f/h11,13-14H", + "name": "6-Phospho-D-glucosaminate", + "names": [ + "6-Phospho-D-glucosaminate" + ] + }, + { + "compound_id": "C20593", + "inchi": "InChI=1/C27H35NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,20-21,23,28-31H,9-13H2,1-4H3/t15-,20+,21-,23-,25+,26+,27+/m0/s1", + "name": "beta-Paxitriol", + "names": [ + "beta-Paxitriol" + ] + }, + { + "compound_id": "C20594", + "inchi": "InChI=1/C42H59NO5/c1-24(2)11-13-27-14-16-31-33(29(27)15-12-25(3)4)30-23-28-17-21-41(45)39(9,40(28,10)35(30)43-31)20-18-32-42(41)37(48-42)34(44)36(47-32)38(7,8)46-22-19-26(5)6/h11-12,14,16,19,28,32,34,36-37,43-45H,13,15,17-18,20-23H2,1-10H3/t28-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1", + "name": "20,21-Diprenylterpendole J", + "names": [ + "20,21-Diprenylterpendole J" + ] + }, + { + "compound_id": "C20595", + "inchi": "InChI=1/C42H57NO5/c1-23(2)11-13-26-14-16-30-33(28(26)15-12-24(3)4)29-22-27-17-20-41(44)39(9,40(27,10)35(29)43-30)19-18-31-42(41)37(48-42)34-36(45-31)38(7,8)47-32(46-34)21-25(5)6/h11-12,14,16,21,27,31-32,34,36-37,43-44H,13,15,17-20,22H2,1-10H3/t27-,31-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1", + "name": "20,21-Diprenylterpendole C", + "names": [ + "20,21-Diprenylterpendole C" + ] + }, + { + "compound_id": "C20602", + "inchi": "InChI=1/C6H12N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1/f/h8-11H", + "name": "L-Enduracididine", + "names": [ + "L-Enduracididine" + ] + }, + { + "compound_id": "C20603", + "inchi": "InChI=1/C6H12N4O3/c7-3(5(12)13)4(11)2-1-9-6(8)10-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3-,4-/m0/s1/f/h8-10,12H", + "name": "(3S)-3-Hydroxy-L-enduracididine", + "names": [ + "(3S)-3-Hydroxy-L-enduracididine" + ] + }, + { + "compound_id": "C20604", + "inchi": "InChI=1/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1", + "name": "Fumitremorgin C", + "names": [ + "Fumitremorgin C" + ] + }, + { + "compound_id": "C20605", + "inchi": "InChI=1/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1", + "name": "12alpha,13alpha-Dihydroxyfumitremorgin C", + "names": [ + "12alpha,13alpha-Dihydroxyfumitremorgin C" + ] + }, + { + "compound_id": "C20607", + "inchi": "InChI=1/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1/f/h24H", + "name": "Tryprostatin A", + "names": [ + "Tryprostatin A" + ] + }, + { + "compound_id": "C20608", + "inchi": "InChI=1/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1/f/h5H", + "name": "(S)-2-Chloropropanoate", + "names": [ + "(S)-2-Chloropropanoate" + ] + }, + { + "compound_id": "C20609", + "inchi": "InChI=1/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)/f/h5H", + "name": "2-Chloroacrylate", + "names": [ + "2-Chloroacrylate" + ] + }, + { + "compound_id": "C20612", + "inchi": "InChI=1/C16H23N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-5,7-8,10-11,14-15,23-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,7+,8-,10-,11-,14-,15-/m1/s1/f/h20,27,29H,17H2", + "name": "GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose", + "names": [ + "GDP-4-dehydro-3,6-dideoxy-alpha-D-mannose" + ] + }, + { + "compound_id": "C20613", + "inchi": "InChI=1/C16H25N5O14P2/c1-5-6(22)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)21-4-18-9-12(21)19-16(17)20-13(9)26/h4-8,10-11,14-15,22-25H,2-3H2,1H3,(H,27,28)(H,29,30)(H3,17,19,20,26)/t5-,6-,7-,8+,10+,11+,14+,15+/m0/s1/f/h20,27,29H,17H2", + "name": "GDP-beta-L-colitose", + "names": [ + "GDP-beta-L-colitose" + ] + }, + { + "compound_id": "C20614", + "inchi": "InChI=1/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1", + "name": "Kanamycin X", + "names": [ + "Kanamycin X" + ] + }, + { + "compound_id": "C20617", + "inchi": "InChI=1/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63+,64-,65+,66-,67-,68-,69+/m1/s1/f/h70,78,80H", + "name": "beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "beta-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20618", + "inchi": "InChI=1/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)64(75)67(61(47-72)84-68)85-69-66(77)65(76)63(74)60(46-71)83-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63+,64-,65+,66-,67-,68-,69+/m1/s1/f/h70,78,80H", + "name": "beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20619", + "inchi": "InChI=1/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64-,65+,66-,67-,68-,69+/m1/s1/f/h70,78,80H", + "name": "beta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "beta-D-Glc-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20620", + "inchi": "InChI=1/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61+,62-,63-/m1/s1/f/h64,69,71H", + "name": "N-Acetyl-alpha-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "N-Acetyl-alpha-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20621", + "inchi": "InChI=1/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81,82)90-92(83,84)89-71-65(73-61(14)77)69(67(79)63(48-75)87-71)88-70-64(72-60(13)76)68(80)66(78)62(47-74)86-70/h25,27,29,31,33,35,37,39,41,43,45,62-71,74-75,78-80H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,72,76)(H,73,77)(H,81,82)(H,83,84)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64-,65-,66+,67+,68-,69-,70-,71-/m1/s1/f/h72-73,81,83H", + "name": "alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20622", + "inchi": "InChI=1/C77H128N2O22P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-94-102(90,91)101-103(92,93)100-76-67(79-62(14)84)74(70(87)65(49-82)96-76)98-75-66(78-61(13)83)73(69(86)64(48-81)95-75)99-77-72(89)71(88)68(85)63(47-80)97-77/h25,27,29,31,33,35,37,39,41,43,45,63-77,80-82,85-89H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,78,83)(H,79,84)(H,90,91)(H,92,93)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t63-,64-,65-,66-,67-,68+,69+,70+,71+,72-,73-,74-,75-,76-,77+/m1/s1/f/h78-79,90,92H", + "name": "beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20625", + "inchi": "InChI=1/C83H138N2O26P2/c1-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)46-47-102-112(98,99)111-113(100,101)110-81-69(85-64(15)90)78(73(94)67(50-88)105-81)107-80-68(84-63(14)89)77(72(93)66(49-87)104-80)108-83-79(75(96)71(92)65(48-86)106-83)109-82-76(97)74(95)70(91)62(13)103-82/h26,28,30,32,34,36,38,40,42,44,46,62,65-83,86-88,91-97H,16-25,27,29,31,33,35,37,39,41,43,45,47-50H2,1-15H3,(H,84,89)(H,85,90)(H,98,99)(H,100,101)/b52-28+,53-30+,54-32-,55-34-,56-36-,57-38-,58-40-,59-42-,60-44-,61-46-/t62-,65+,66+,67+,68+,69+,70+,71-,72-,73-,74+,75-,76-,77+,78+,79+,80+,81+,82-,83-/m0/s1/f/h84-85,98,100H", + "name": "alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20626", + "inchi": "InChI=1/C89H148N2O31P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-111-123(107,108)122-124(109,110)121-86-71(91-65(15)97)82(75(101)68(50-94)114-86)117-85-70(90-64(14)96)81(74(100)67(49-93)113-85)118-89-84(120-87-79(105)77(103)72(98)63(13)112-87)83(76(102)69(51-95)116-89)119-88-80(106)78(104)73(99)66(48-92)115-88/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,92-95,98-106H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,96)(H,91,97)(H,107,108)(H,109,110)/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78-,79-,80+,81+,82+,83-,84+,85+,86+,87-,88?,89-/m0/s1/f/h90-91,107,109H", + "name": "alpha-D-Gal-(1->3)-(alpha-L-Fuc-(1->2))-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol", + "names": [ + "alpha-D-Gal-(1->3)-(alpha-L-Fuc-(1->2))-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol" + ] + }, + { + "compound_id": "C20627", + "inchi": "InChI=1/C52H101N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h29,32,38-47,49-51,56-57H,11-28,30-31,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/t40?,41?,42?,43?,44?,45?,46-,47+,49+,50+,51+/m0/s1/f/h59,61H,53H2", + "name": "CDP-2,3-bis-(O-phytanyl)-sn-glycerol", + "names": [ + "CDP-2,3-bis-(O-phytanyl)-sn-glycerol" + ] + }, + { + "compound_id": "C20628", + "inchi": "InChI=1/C46H94NO8P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-52-33-44(34-54-56(50,51)55-35-45(47)46(48)49)53-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h36-45H,11-35,47H2,1-10H3,(H,48,49)(H,50,51)/t38?,39?,40?,41?,42?,43?,44-,45-/m0/s1/f/h48,50H", + "name": "2,3-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine", + "names": [ + "2,3-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine" + ] + }, + { + "compound_id": "C20629", + "inchi": "InChI=1/C21H19NO6/c1-11(2)3-4-12-9-13(5-8-16(12)24)20(26)22-18-19(25)15-7-6-14(23)10-17(15)28-21(18)27/h3,5-10,23-25H,4H2,1-2H3,(H,22,26)/f/h22H", + "name": "8-Demethylnovobiocic acid", + "names": [ + "8-Demethylnovobiocic acid" + ] + }, + { + "compound_id": "C20630", + "inchi": "InChI=1/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1", + "name": "Fumitremorgin B", + "names": [ + "Fumitremorgin B" + ] + }, + { + "compound_id": "C20631", + "inchi": "InChI=1/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1/f/h9H,6H2", + "name": "(2S,3S)-3-Hydroxyasparagine", + "names": [ + "(2S,3S)-3-Hydroxyasparagine" + ] + }, + { + "compound_id": "C20632", + "inchi": "InChI=1/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3/t12-,13-,14-,15-,18-,19+,20-/m1/s1", + "name": "Methyl gibberellin A9", + "names": [ + "Methyl gibberellin A9" + ] + }, + { + "compound_id": "C20633", + "inchi": "InChI=1/C20H26O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h11-15,21H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15-,18-,19+,20-/m1/s1", + "name": "Methyl gibberellin A4", + "names": [ + "Methyl gibberellin A4" + ] + }, + { + "compound_id": "C20634", + "inchi": "InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3", + "name": "O-Methyl anthranilate", + "names": [ + "O-Methyl anthranilate" + ] + }, + { + "compound_id": "C20635", + "inchi": "InChI=1/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3", + "name": "Methyl (indol-3-yl)acetate", + "names": [ + "Methyl (indol-3-yl)acetate" + ] + }, + { + "compound_id": "C20636", + "inchi": "InChI=1/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1/f/h23H", + "name": "Deoxybrevianamide E", + "names": [ + "Deoxybrevianamide E" + ] + }, + { + "compound_id": "C20637", + "inchi": "InChI=1/C16H12N2O7/c1-6-9(15(22)23)5-17-11(6)14(21)18-12-13(20)8-3-2-7(19)4-10(8)25-16(12)24/h2-5,17,19-20H,1H3,(H,18,21)(H,22,23)/f/h18,22H", + "name": "5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate", + "names": [ + "5-[[(4,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-methyl-1H-pyrrole-3-carboxylate" + ] + }, + { + "compound_id": "C20638", + "inchi": "InChI=1/C16H26N6O14P2/c1-4-6(17)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2,17H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1/f/h21,28,30H,18H2", + "name": "GDP-4-amino-4,6-dideoxy-alpha-D-mannose", + "names": [ + "GDP-4-amino-4,6-dideoxy-alpha-D-mannose" + ] + }, + { + "compound_id": "C20639", + "inchi": "InChI=1/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1/f/h7-8H,6H2", + "name": "O-Ureido-L-serine", + "names": [ + "O-Ureido-L-serine" + ] + }, + { + "compound_id": "C20640", + "inchi": "InChI=1/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1/f/h28,34,36H,21-22H2", + "name": "Cyclic GMP-AMP", + "names": [ + "Cyclic GMP-AMP" + ] + }, + { + "compound_id": "C20641", + "inchi": "InChI=1/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1/f/h20,25,28H,16H2", + "name": "L-Threonylcarbamoyladenylate", + "names": [ + "L-Threonylcarbamoyladenylate" + ] + }, + { + "compound_id": "C20642", + "inchi": "InChI=1/C49H100O14P2/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-59-33-43(60-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4)34-61-65(57,58)63-49-46(52)44(50)45(51)48(47(49)53)62-64(54,55)56/h35-53H,11-34H2,1-10H3,(H,57,58)(H2,54,55,56)/t37?,38?,39?,40?,41?,42?,43-,44-,45-,46+,47+,48+,49-/m0/s1/f/h54-55,57H", + "name": "1-Archaetidyl-1D-myo-inositol 3-phosphate", + "names": [ + "1-Archaetidyl-1D-myo-inositol 3-phosphate" + ] + }, + { + "compound_id": "C20643", + "inchi": "InChI=1/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)/f/h17H", + "name": "2-Heptyl-4(1H)-quinolone", + "names": [ + "2-Heptyl-4(1H)-quinolone" + ] + }, + { + "compound_id": "C20644", + "inchi": "InChI=1/C7H14NO9P/c8-3(7(12)13)1-4(9)6(11)5(10)2-17-18(14,15)16/h3-4,6,9,11H,1-2,8H2,(H,12,13)(H2,14,15,16)/t3-,4?,6?/m0/s1/f/h12,14-15H", + "name": "2-Amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate", + "names": [ + "2-Amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoate" + ] + }, + { + "compound_id": "C20645", + "inchi": "InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3", + "name": "Methyl benzoate", + "names": [ + "Methyl benzoate" + ] + }, + { + "compound_id": "C20646", + "inchi": "InChI=1/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m0/s1/f/h12H", + "name": "(3S)-2-Oxo-3-phenylbutanoate", + "names": [ + "(3S)-2-Oxo-3-phenylbutanoate" + ] + }, + { + "compound_id": "C20651", + "inchi": "InChI=1/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1/f/h7-8H,6H2", + "name": "O-Ureido-D-serine", + "names": [ + "O-Ureido-D-serine" + ] + }, + { + "compound_id": "C20653", + "inchi": "InChI=1/C11H12O5/c12-9(13)7-11(16,10(14)15)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,13)(H,14,15)/t11-/m1/s1/f/h12,14H", + "name": "2-Benzylmalic acid", + "names": [ + "2-Benzylmalic acid" + ] + }, + { + "compound_id": "C20654", + "inchi": "InChI=1/C11H12O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)(H,15,16)/f/h13,15H", + "name": "3-Benzylmalic acid", + "names": [ + "3-Benzylmalic acid" + ] + }, + { + "compound_id": "C20657", + "inchi": "InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+", + "name": "meso-2,3-Butanediol", + "names": [ + "meso-2,3-Butanediol" + ] + }, + { + "compound_id": "C20664", + "inchi": "InChI=1/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7?,8-,10?/m1/s1/f/h11-12,14H", + "name": "(-)-Bornyl diphosphate", + "names": [ + "(-)-Bornyl diphosphate" + ] + }, + { + "compound_id": "C20668", + "inchi": "InChI=1/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-3,5-7,9-10H,1H2,(H2,11,12,13)/t2-,3-,5-,6?/m1/s1/f/h11-12H", + "name": "3-Dehydro-D-glucose 6-phosphate", + "names": [ + "3-Dehydro-D-glucose 6-phosphate" + ] + }, + { + "compound_id": "C20669", + "inchi": "InChI=1/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2", + "name": "2-Amino-5-chlorophenol", + "names": [ + "2-Amino-5-chlorophenol" + ] + }, + { + "compound_id": "C20670", + "inchi": "InChI=1/C6H6ClNO3/c7-4(3-9)1-2-5(8)6(10)11/h1-3H,8H2,(H,10,11)/b4-1+,5-2+/f/h10H", + "name": "2-Amino-5-chloromuconate 6-semialdehyde", + "names": [ + "2-Amino-5-chloromuconate 6-semialdehyde" + ] + }, + { + "compound_id": "C20672", + "inchi": "InChI=1/C18H28N6O15P2/c1-5-8(21-6(2)25)11(27)13(29)17(36-5)38-41(33,34)39-40(31,32)35-3-7-10(26)12(28)16(37-7)24-4-20-9-14(24)22-18(19)23-15(9)30/h4-5,7-8,10-13,16-17,26-29H,3H2,1-2H3,(H,21,25)(H,31,32)(H,33,34)(H3,19,22,23,30)/t5-,7-,8-,10-,11+,12-,13+,16-,17-/m1/s1/f/h21,23,31,33H,19H2", + "name": "GDP-4-acetamido-4,6-dideoxy-alpha-D-mannose", + "names": [ + "GDP-4-acetamido-4,6-dideoxy-alpha-D-mannose" + ] + }, + { + "compound_id": "C20673", + "inchi": "InChI=1/C9H15NO3/c1-6(2)5-8(11)10-7-3-4-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m0/s1/f/h10H", + "name": "N-Isovaleryl-L-homoserine lactone", + "names": [ + "N-Isovaleryl-L-homoserine lactone" + ] + }, + { + "compound_id": "C20674", + "inchi": "InChI=1/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1/fC11H16N5O5/h14H,12H2/q+1", + "name": "N7-Methylguanosine", + "names": [ + "N7-Methylguanosine" + ] + }, + { + "compound_id": "C20677", + "inchi": "InChI=1/C13H13NO4/c15-10-4-1-9(2-5-10)3-6-12(16)14-11-7-8-18-13(11)17/h1-6,11,15H,7-8H2,(H,14,16)/b6-3+/t11-/m0/s1/f/h14H", + "name": "N-(4-Coumaroyl)-L-homoserine lactone", + "names": [ + "N-(4-Coumaroyl)-L-homoserine lactone" + ] + }, + { + "compound_id": "C20680", + "inchi": "InChI=1/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m0/s1/f/h11H", + "name": "2-Dehydro-3-deoxy-L-galactonate", + "names": [ + "2-Dehydro-3-deoxy-L-galactonate" + ] + }, + { + "compound_id": "C20681", + "inchi": "InChI=1/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+", + "name": "(E,E)-Geranyllinalool", + "names": [ + "(E,E)-Geranyllinalool" + ] + }, + { + "compound_id": "C20682", + "inchi": "InChI=1/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)11(21)13(31-15)7(2)19/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12-,13+,15-/m1/s1/f/h17,25,27H", + "name": "dTDP-alpha-D-fucofuranose", + "names": [ + "dTDP-alpha-D-fucofuranose" + ] + }, + { + "compound_id": "C20684", + "inchi": "InChI=1/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1/f/h21H,12-13H2", + "name": "O-Carbamoyladenylate", + "names": [ + "O-Carbamoyladenylate" + ] + }, + { + "compound_id": "C20685", + "inchi": "InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1/f/h12H", + "name": "(R)-(2,4-Dichlorophenoxy)propanoate", + "names": [ + "(R)-(2,4-Dichlorophenoxy)propanoate" + ] + }, + { + "compound_id": "C20686", + "inchi": "InChI=1/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m0/s1/f/h12H", + "name": "(S)-2-(4-Chloro-2-methylphenoxy)propanoate", + "names": [ + "(S)-2-(4-Chloro-2-methylphenoxy)propanoate" + ] + }, + { + "compound_id": "C20687", + "inchi": "InChI=1/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1/f/h12H", + "name": "(S)-(2,4-Dichlorophenoxy)propanoate", + "names": [ + "(S)-(2,4-Dichlorophenoxy)propanoate" + ] + }, + { + "compound_id": "C20689", + "inchi": "InChI=1/C29H33NO10/c1-5-29(38)11-18(40-19-10-16(30(3)4)24(32)12(2)39-19)21-14(23(29)28(36)37)9-15-22(27(21)35)26(34)20-13(25(15)33)7-6-8-17(20)31/h6-9,12,16,18-19,23-24,31-32,35,38H,5,10-11H2,1-4H3,(H,36,37)/t12-,16-,18-,19-,23-,24+,29+/m0/s1/f/h36H", + "name": "15-Demethylaclacinomycin T", + "names": [ + "15-Demethylaclacinomycin T" + ] + }, + { + "compound_id": "C20690", + "inchi": "InChI=1/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1/f/h7-8,10-11,13-14,16-17,19-20,22-23,25,27H", + "name": "1D-myo-Inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate", + "names": [ + "1D-myo-Inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate" + ] + }, + { + "compound_id": "C20692", + "inchi": "InChI=1/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15-", + "name": "9-cis-10'-Apo-beta-carotenal", + "names": [ + "9-cis-10'-Apo-beta-carotenal" + ] + }, + { + "compound_id": "C20693", + "inchi": "InChI=1/C19H26O3/c1-13(12-21-17-11-15(3)18(20)22-17)8-9-16-14(2)7-6-10-19(16,4)5/h8-9,11-12,17H,6-7,10H2,1-5H3/b9-8+,13-12-", + "name": "Carlactone", + "names": [ + "Carlactone" + ] + }, + { + "compound_id": "C20694", + "inchi": "InChI=1/C8H10O2/c1-8(4-2-6-9)5-3-7-10/h2-7,9H,1H3/b5-3+,6-2+,8-4+", + "name": "(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal", + "names": [ + "(2E,4E,6E)-7-Hydroxy-4-methylhepta-2,4,6-trienal" + ] + }, + { + "compound_id": "C20695", + "inchi": "InChI=1/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+", + "name": "all-trans-10'-Apo-beta-carotenal", + "names": [ + "all-trans-10'-Apo-beta-carotenal" + ] + }, + { + "compound_id": "C20696", + "inchi": "InChI=1/C18H26O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+", + "name": "13-Apo-beta-carotenone", + "names": [ + "13-Apo-beta-carotenone" + ] + }, + { + "compound_id": "C20697", + "inchi": "InChI=1/C9H10O2/c1-9(6-4-8-11)5-2-3-7-10/h2-8H,1H3/b3-2+,6-4+,9-5+", + "name": "(2E,4E,6E)-4-Methylocta-2,4,6-trienedial", + "names": [ + "(2E,4E,6E)-4-Methylocta-2,4,6-trienedial" + ] + }, + { + "compound_id": "C20699", + "inchi": "InChI=1/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1/f/h24H2", + "name": "6''-O-Carbamoylkanamycin A", + "names": [ + "6''-O-Carbamoylkanamycin A" + ] + }, + { + "compound_id": "C20700", + "inchi": "InChI=1/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,9-10,13H,1,7-8,11-12H2,2-5H3/b15-9+,16-13+", + "name": "(E,E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene", + "names": [ + "(E,E)-4,8,12-Trimethyltrideca-1,3,7,11-tetraene" + ] + }, + { + "compound_id": "C20701", + "inchi": "InChI=1/C4H6O/c1-3-4(2)5/h3H,1H2,2H3", + "name": "But-3-en-2-one", + "names": [ + "But-3-en-2-one" + ] + }, + { + "compound_id": "C20702", + "inchi": "InChI=1/C18H34O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m0/s1/f/h19H", + "name": "(8E,10S)-10-Hydroperoxyoctadeca-8-enoate", + "names": [ + "(8E,10S)-10-Hydroperoxyoctadeca-8-enoate" + ] + }, + { + "compound_id": "C20703", + "inchi": "InChI=1/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m0/s1/f/h19H", + "name": "(8E,10S,12Z)-10-Hydroperoxyoctadeca-8,12-dienoate", + "names": [ + "(8E,10S,12Z)-10-Hydroperoxyoctadeca-8,12-dienoate" + ] + }, + { + "compound_id": "C20704", + "inchi": "InChI=1/C18H30O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h3-4,8,11-12,15,17,21H,2,5-7,9-10,13-14,16H2,1H3,(H,19,20)/b4-3-,11-8-,15-12+/t17-/m0/s1/f/h19H", + "name": "(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate", + "names": [ + "(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate" + ] + }, + { + "compound_id": "C20705", + "inchi": "InChI=1/C20H33NO15/c22-3-8-11(25)14(28)18(32-8)35-16-13(27)10(5-24)34-20(16)36-15-12(26)9(4-23)33-19(15)31-6-1-7(17(29)30)21-2-6/h6-16,18-28H,1-5H2,(H,29,30)/t6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16+,18+,19-,20+/m0/s1/f/h29H", + "name": "4-O-(beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyproline", + "names": [ + "4-O-(beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyproline" + ] + }, + { + "compound_id": "C20706", + "inchi": "InChI=1/C10H17NO7/c12-3-6-7(13)8(14)10(18-6)17-4-1-5(9(15)16)11-2-4/h4-8,10-14H,1-3H2,(H,15,16)/t4-,5-,6-,7-,8+,10-/m0/s1/f/h15H", + "name": "4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline", + "names": [ + "4-O-(beta-L-Arabinofuranosyl)-(2S,4S)-4-hydroxyproline" + ] + }, + { + "compound_id": "C20709", + "inchi": "InChI=1/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1", + "name": "Diosgenin 3-O-beta-D-glucopyranoside", + "names": [ + "Diosgenin 3-O-beta-D-glucopyranoside" + ] + }, + { + "compound_id": "C20710", + "inchi": "InChI=1/C7H8O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m1/s1/f/h10H", + "name": "(4R,5R)-4,5-Dihydroxycyclohexa-1(6),2-diene-1-carboxylate", + "names": [ + "(4R,5R)-4,5-Dihydroxycyclohexa-1(6),2-diene-1-carboxylate" + ] + }, + { + "compound_id": "C20711", + "inchi": "InChI=1/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1", + "name": "Miltiradiene", + "names": [ + "Miltiradiene" + ] + }, + { + "compound_id": "C20712", + "inchi": "InChI=1/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1", + "name": "(S)-Laudanine", + "names": [ + "(S)-Laudanine" + ] + }, + { + "compound_id": "C20714", + "inchi": "InChI=1/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2-8H2,1H3,(H,12,13)/f/h12H", + "name": "3-Oxodecanoate", + "names": [ + "3-Oxodecanoate" + ] + }, + { + "compound_id": "C20715", + "inchi": "InChI=1/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1", + "name": "Protopanaxadiol", + "names": [ + "Protopanaxadiol" + ] + }, + { + "compound_id": "C20716", + "inchi": "InChI=1/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1", + "name": "Protopanaxatriol", + "names": [ + "Protopanaxatriol" + ] + }, + { + "compound_id": "C20717", + "inchi": "InChI=1/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3", + "name": "4-Hydroxy-2,5-dimethylfuran-3(2H)-one", + "names": [ + "4-Hydroxy-2,5-dimethylfuran-3(2H)-one" + ] + }, + { + "compound_id": "C20718", + "inchi": "InChI=1/C6H6O3/c1-3-5(7)6(8)4(2)9-3/h8H,1H2,2H3", + "name": "4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one", + "names": [ + "4-Hydroxy-5-methyl-2-methylenefuran-3(2H)-one" + ] + }, + { + "compound_id": "C20724", + "inchi": "InChI=1/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m1/s1", + "name": "(+)-Thujopsene", + "names": [ + "(+)-Thujopsene" + ] + }, + { + "compound_id": "C20726", + "inchi": "InChI=1/C11H15O8P/c12-9-8(6-17-20(14,15)16)19-11(10(9)13)18-7-4-2-1-3-5-7/h1-5,8-13H,6H2,(H2,14,15,16)/t8-,9-,10-,11+/m1/s1/f/h14-15H", + "name": "Phenyl 5-phospho-alpha-D-ribofuranoside", + "names": [ + "Phenyl 5-phospho-alpha-D-ribofuranoside" + ] + }, + { + "compound_id": "C20727", + "inchi": "InChI=1/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1", + "name": "Kaempferol 3-O-beta-D-xyloside", + "names": [ + "Kaempferol 3-O-beta-D-xyloside" + ] + }, + { + "compound_id": "C20737", + "inchi": "InChI=1/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h10,12,14,16,18-19,28-29H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16+", + "name": "6-Geranylgeranyl-2-methylbenzene-1,4-diol", + "names": [ + "6-Geranylgeranyl-2-methylbenzene-1,4-diol" + ] + }, + { + "compound_id": "C20738", + "inchi": "InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h11,13,15,17,19,29-30H,8-10,12,14,16,18H2,1-7H3/b21-13+,22-15+,23-17+", + "name": "6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol", + "names": [ + "6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol" + ] + }, + { + "compound_id": "C20739", + "inchi": "InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1", + "name": "Neopikromycin", + "names": [ + "Neopikromycin" + ] + }, + { + "compound_id": "C20740", + "inchi": "InChI=1/C28H47NO9/c1-14-12-15(2)24(37-27-23(33)20(29(8)9)13-16(3)36-27)17(4)22(32)18(5)26(34)38-25(19(6)30)28(7,35)11-10-21(14)31/h10-11,14-20,23-25,27,30,33,35H,12-13H2,1-9H3/b11-10+/t14-,15+,16-,17+,18-,19-,20+,23-,24+,25-,27+,28+/m1/s1", + "name": "Novapikromyin", + "names": [ + "Novapikromyin" + ] + }, + { + "compound_id": "C20741", + "inchi": "InChI=1/C25H43NO8/c1-13-11-14(2)21(33-24-20(29)18(26(7)8)12-15(3)32-24)16(4)23(30)34-22(17(5)27)25(6,31)10-9-19(13)28/h9-10,13-18,20-22,24,27,29,31H,11-12H2,1-8H3/b10-9+/t13-,14+,15-,16-,17-,18+,20-,21+,22-,24+,25+/m1/s1", + "name": "Novamethymycin", + "names": [ + "Novamethymycin" + ] + }, + { + "compound_id": "C20742", + "inchi": "InChI=1/C15H22N5O16P3/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(33-14)1-31-38(27,28)36-39(29,30)32-2-6-9(22)11(35-37(24,25)26)15(34-6)20(13)3-17-7/h3-6,8-11,14-16,21-23H,1-2H2,(H,27,28)(H,29,30)(H2,24,25,26)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1/f/h24-25,27,29H", + "name": "2'-Phospho-cyclic ADP-ribose", + "names": [ + "2'-Phospho-cyclic ADP-ribose" + ] + }, + { + "compound_id": "C20744", + "inchi": "InChI=1/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1/f/h34,36H,22-23H2", + "name": "alpha-NADH", + "names": [ + "alpha-NADH" + ] + }, + { + "compound_id": "C20745", + "inchi": "InChI=1/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1/f/h33-34,36,38H,22-23H2", + "name": "alpha-NADPH", + "names": [ + "alpha-NADPH" + ] + }, + { + "compound_id": "C20746", + "inchi": "InChI=1/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,26-/m1/s1/f/h28-29,39,42-43,45,47H,27H2", + "name": "(3R)-Citramalyl-CoA", + "names": [ + "(3R)-Citramalyl-CoA" + ] + }, + { + "compound_id": "C20747", + "inchi": "InChI=1/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13-,17-,18-,19+,23-/m1/s1/f/h27-28,39,41-42,44,46H,26H2", + "name": "(R)-Malyl-CoA", + "names": [ + "(R)-Malyl-CoA" + ] + }, + { + "compound_id": "C20748", + "inchi": "InChI=1/C28H47N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h6-7,15-17,21-23,27,39-40H,8-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p+1/b7-6+/t17-,21-,22-,23+,27-/m1/s1/fC28H48N8O17P3S/h30-31,42-43,45,47H,29H2/q+1", + "name": "(E)-4-(Trimethylammonio)but-2-enoyl-CoA", + "names": [ + "(E)-4-(Trimethylammonio)but-2-enoyl-CoA" + ] + }, + { + "compound_id": "C20749", + "inchi": "InChI=1/C28H49N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,39-40H,6-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p+1/t17-,21-,22-,23+,27-/m1/s1/fC28H50N8O17P3S/h30-31,42-43,45,47H,29H2/q+1", + "name": "4-Trimethylammoniobutanoyl-CoA", + "names": [ + "4-Trimethylammoniobutanoyl-CoA" + ] + }, + { + "compound_id": "C20750", + "inchi": "InChI=1/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/p+1/t16-,17-,21-,22-,23+,27-/m1/s1/fC28H50N8O18P3S/h30-31,43-44,46,48H,29H2/q+1", + "name": "L-Carnitinyl-CoA", + "names": [ + "L-Carnitinyl-CoA" + ] + }, + { + "compound_id": "C20760", + "inchi": "InChI=1/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1", + "name": "20-Oxo-5-O-beta-mycaminosyltylactone", + "names": [ + "20-Oxo-5-O-beta-mycaminosyltylactone" + ] + }, + { + "compound_id": "C20764", + "inchi": "InChI=1/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)/b20-15+/t18-,19-/m1/s1/f/h21-22H", + "name": "Phytyl phosphate", + "names": [ + "Phytyl phosphate" + ] + }, + { + "compound_id": "C20765", + "inchi": "InChI=1/C18H31N3O13P2/c1-9-7-21(17(24)20-16(9)23)13-5-11(22)12(32-13)8-30-35(25,26)34-36(27,28)33-14-6-18(3,19)15(29-4)10(2)31-14/h7,10-15,22H,5-6,8,19H2,1-4H3,(H,25,26)(H,27,28)(H,20,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1/f/h20,25,27H", + "name": "dTDP-beta-L-evernosamine", + "names": [ + "dTDP-beta-L-evernosamine" + ] + }, + { + "compound_id": "C20766", + "inchi": "InChI=1/C18H31N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,20,22,25H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1/f/h19,26,28H", + "name": "dTDP-N-hydroxy-beta-L-evernosamine", + "names": [ + "dTDP-N-hydroxy-beta-L-evernosamine" + ] + }, + { + "compound_id": "C20767", + "inchi": "InChI=1/C18H29N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1/f/h19,26,28H", + "name": "dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose", + "names": [ + "dTDP-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-beta-L-arabino-hexopyranose" + ] + }, + { + "compound_id": "C20768", + "inchi": "InChI=1/C17H27N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10-16,23-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8+,10+,11+,12+,13-,14+,15+,16+/m0/s1/f/h18-19,28,30H", + "name": "UDP-2-acetamido-2,6-dideoxy-beta-L-talose", + "names": [ + "UDP-2-acetamido-2,6-dideoxy-beta-L-talose" + ] + }, + { + "compound_id": "C20770", + "inchi": "InChI=1/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3", + "name": "N-Methylpavine", + "names": [ + "N-Methylpavine" + ] + }, + { + "compound_id": "C20771", + "inchi": "InChI=1/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3", + "name": "(+/-)-Pavine", + "names": [ + "(+/-)-Pavine" + ] + }, + { + "compound_id": "C20772", + "inchi": "InChI=1/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)/f/h11,13H", + "name": "3-[(1-Carboxyvinyl)oxy]benzoate", + "names": [ + "3-[(1-Carboxyvinyl)oxy]benzoate" + ] + }, + { + "compound_id": "C20773", + "inchi": "InChI=1/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1/f/h28H,20H2", + "name": "6-Amino-6-deoxyfutalosine", + "names": [ + "6-Amino-6-deoxyfutalosine" + ] + }, + { + "compound_id": "C20774", + "inchi": "InChI=1/C17H27N3O16P2/c1-6-11(23)13(25)10(18-7(2)21)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)20-4-3-9(22)19-17(20)27/h3-4,6,8,10-16,23-26H,5H2,1-2H3,(H,18,21)(H,28,29)(H,30,31)(H,19,22,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1/f/h18-19,28,30H", + "name": "UDP-N-acetyl-beta-L-fucosamine", + "names": [ + "UDP-N-acetyl-beta-L-fucosamine" + ] + }, + { + "compound_id": "C20775", + "inchi": "InChI=1/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1/f/h12-13,15,17,19H", + "name": "beta-Citryl-L-glutamate", + "names": [ + "beta-Citryl-L-glutamate" + ] + }, + { + "compound_id": "C20776", + "inchi": "InChI=1/C16H23N3O11/c1-7(20)17-10(6-13(25)26)15(28)18-8(2-4-11(21)22)14(27)19-9(16(29)30)3-5-12(23)24/h8-10H,2-6H2,1H3,(H,17,20)(H,18,28)(H,19,27)(H,21,22)(H,23,24)(H,25,26)(H,29,30)/t8-,9-,10-/m0/s1/f/h17-19,21,23,25,29H", + "name": "N-Acetylaspartylglutamylglutamate", + "names": [ + "N-Acetylaspartylglutamylglutamate" + ] + }, + { + "compound_id": "C20781", + "inchi": "InChI=1/C6H8O5/c1-3(7)4(8)2-5(9)6(10)11/h3,7H,2H2,1H3,(H,10,11)/t3-/m0/s1/f/h10H", + "name": "2,4-Diketo-3-deoxy-L-fuconate", + "names": [ + "2,4-Diketo-3-deoxy-L-fuconate" + ] + }, + { + "compound_id": "C20782", + "inchi": "InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1", + "name": "(S)-2-Phenyloxirane", + "names": [ + "(S)-2-Phenyloxirane" + ] + }, + { + "compound_id": "C20783", + "inchi": "InChI=1/C3H8/c1-3-2/h3H2,1-2H3", + "name": "Propane", + "names": [ + "Propane" + ] + }, + { + "compound_id": "C20784", + "inchi": "InChI=1/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/t8-,11-,12-,16-/m1/s1/f/h26,28,30H,18H2", + "name": "ADP-5-ethyl-4-methylthiazole-2-carboxylate", + "names": [ + "ADP-5-ethyl-4-methylthiazole-2-carboxylate" + ] + }, + { + "compound_id": "C20787", + "inchi": "InChI=1/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1", + "name": "23,24-Dihydrocucurbitacin B", + "names": [ + "23,24-Dihydrocucurbitacin B" + ] + }, + { + "compound_id": "C20788", + "inchi": "InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/f/h11,13H", + "name": "Homocystine", + "names": [ + "Homocystine" + ] + }, + { + "compound_id": "C20789", + "inchi": "InChI=1/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1/f/h11H", + "name": "7-Deoxyloganetate", + "names": [ + "7-Deoxyloganetate" + ] + }, + { + "compound_id": "C20790", + "inchi": "InChI=1/C11H16O4/c1-6-3-4-7-8(10(12)14-2)5-15-11(13)9(6)7/h5-7,9,11,13H,3-4H2,1-2H3/t6-,7+,9+,11+/m0/s1", + "name": "7-Deoxyloganetin", + "names": [ + "7-Deoxyloganetin" + ] + }, + { + "compound_id": "C20797", + "inchi": "InChI=1/C3H8O5S/c4-1-3(5)2-9(6,7)8/h3-5H,1-2H2,(H,6,7,8)/f/h6H", + "name": "2,3-Dihydroxypropane-1-sulfonate", + "names": [ + "2,3-Dihydroxypropane-1-sulfonate" + ] + }, + { + "compound_id": "C20798", + "inchi": "InChI=1/C3H6O5S/c4-1-3(5)2-9(6,7)8/h1,3,5H,2H2,(H,6,7,8)/f/h6H", + "name": "2-Hydroxy-3-oxopropane-1-sulfonate", + "names": [ + "2-Hydroxy-3-oxopropane-1-sulfonate" + ] + }, + { + "compound_id": "C20799", + "inchi": "InChI=1/C18H15N3O7S/c1-7(22)20-10(18(26)27)6-29-16-14(19)11(23)5-13-15(16)21-9-4-8(17(24)25)2-3-12(9)28-13/h2-5,10H,6,19H2,1H3,(H,20,22)(H,24,25)(H,26,27)/t10-/m0/s1/f/h20,24,26H", + "name": "Grixazone B", + "names": [ + "Grixazone B" + ] + }, + { + "compound_id": "C20800", + "inchi": "InChI=1/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1/f/h13H", + "name": "3-Methyl-L-tyrosine", + "names": [ + "3-Methyl-L-tyrosine" + ] + }, + { + "compound_id": "C20801", + "inchi": "InChI=1/C10H13NO4/c1-5-2-6(3-7(11)10(14)15)4-8(12)9(5)13/h2,4,7,12-13H,3,11H2,1H3,(H,14,15)/t7-/m0/s1/f/h14H", + "name": "3-Hydroxy-5-methyl-L-tyrosine", + "names": [ + "3-Hydroxy-5-methyl-L-tyrosine" + ] + }, + { + "compound_id": "C20802", + "inchi": "InChI=1/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1/f/h9H", + "name": "(4S)-4-Hydroxy-L-isoleucine", + "names": [ + "(4S)-4-Hydroxy-L-isoleucine" + ] + }, + { + "compound_id": "C20803", + "inchi": "InChI=1/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)/f/h13H", + "name": "5-Methyl-1-naphthoate", + "names": [ + "5-Methyl-1-naphthoate" + ] + }, + { + "compound_id": "C20804", + "inchi": "InChI=1/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,15-/m1/s1", + "name": "alpha-Longipinene", + "names": [ + "alpha-Longipinene" + ] + }, + { + "compound_id": "C20805", + "inchi": "InChI=1/C12H10O3/c1-7-3-2-4-9-10(7)5-8(13)6-11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/f/h14H", + "name": "3-Hydroxy-5-methyl-1-naphthoate", + "names": [ + "3-Hydroxy-5-methyl-1-naphthoate" + ] + }, + { + "compound_id": "C20806", + "inchi": "InChI=1/C31H46O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,17-19,22-23,25,32H,8-16,20-21H2,1-5H3/b24-19+", + "name": "omega-Hydroxyphylloquinone", + "names": [ + "omega-Hydroxyphylloquinone" + ] + }, + { + "compound_id": "C20807", + "inchi": "InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h12H", + "name": "3-Hydroxy-L-phenylalanine", + "names": [ + "3-Hydroxy-L-phenylalanine" + ] + }, + { + "compound_id": "C20808", + "inchi": "InChI=1/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3", + "name": "2-Methyl-1-pyrroline", + "names": [ + "2-Methyl-1-pyrroline" + ] + }, + { + "compound_id": "C20809", + "inchi": "InChI=1/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1", + "name": "(R)-2-Methylpyrrolidine", + "names": [ + "(R)-2-Methylpyrrolidine" + ] + }, + { + "compound_id": "C20811", + "inchi": "InChI=1/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1", + "name": "(-)-exo-alpha-Bergamotene", + "names": [ + "(-)-exo-alpha-Bergamotene" + ] + }, + { + "compound_id": "C20813", + "inchi": "InChI=1/C20H31N3O7S/c1-4-11-12-9-13(15(19(29)30)23(12)18(11)28)31-8-7-21-14(25)5-6-22-17(27)16(26)20(2,3)10-24/h11-12,16,24,26H,4-10H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)/t11-,12-,16+/m1/s1/f/h21-22,29H", + "name": "OA-6129 A", + "names": [ + "OA-6129 A" + ] + }, + { + "compound_id": "C20814", + "inchi": "InChI=1/C20H31N3O11S2/c1-10(34-36(31,32)33)14-11-8-12(15(19(29)30)23(11)18(14)28)35-7-6-21-13(25)4-5-22-17(27)16(26)20(2,3)9-24/h10-11,14,16,24,26H,4-9H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)(H,31,32,33)/t10-,11+,14-,16-/m0/s1/f/h21-22,29,31H", + "name": "OA-6129 C", + "names": [ + "OA-6129 C" + ] + }, + { + "compound_id": "C20815", + "inchi": "InChI=1/C13H16N2O9S2/c1-6(24-26(21,22)23)10-8-5-9(25(20)4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,21,22,23)/b4-3+/t6-,8+,10-,25?/m0/s1/f/h14,18,21H", + "name": "MM 4550", + "names": [ + "MM 4550" + ] + }, + { + "compound_id": "C20816", + "inchi": "InChI=1/C11H16N2O7S2/c1-5(20-22(17,18)19)8-6-4-7(21-3-2-12)9(11(15)16)13(6)10(8)14/h5-6,8H,2-4,12H2,1H3,(H,15,16)(H,17,18,19)/t5-,6+,8-/m0/s1/f/h15,17H", + "name": "Deacetylepithienamycin F", + "names": [ + "Deacetylepithienamycin F" + ] + }, + { + "compound_id": "C20817", + "inchi": "InChI=1/C9H14N2O3S/c10-1-2-15-6-3-5-4-7(12)11(5)8(6)9(13)14/h5-6,8H,1-4,10H2,(H,13,14)/t5-,6?,8?/m1/s1/f/h13H", + "name": "C20817", + "names": [ + "C20817" + ] + }, + { + "compound_id": "C20818", + "inchi": "InChI=1/C10H16N2O3S/c1-5-6-4-7(16-3-2-11)8(10(14)15)12(6)9(5)13/h5-8H,2-4,11H2,1H3,(H,14,15)/f/h14H", + "name": "C20818", + "names": [ + "C20818" + ] + }, + { + "compound_id": "C20819", + "inchi": "InChI=1/C11H18N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h6-9H,2-5,12H2,1H3,(H,15,16)/f/h15H", + "name": "C20819", + "names": [ + "C20819" + ] + }, + { + "compound_id": "C20820", + "inchi": "InChI=1/C11H18N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h5-9,14H,2-4,12H2,1H3,(H,16,17)/f/h16H", + "name": "2,3-Dihydrothienamycin", + "names": [ + "2,3-Dihydrothienamycin" + ] + }, + { + "compound_id": "C20822", + "inchi": "InChI=1/C10H14N2O3S/c1-5-6-4-7(16-3-2-11)8(10(14)15)12(6)9(5)13/h6-8H,1-4,11H2,(H,14,15)/f/h14H", + "name": "C20822", + "names": [ + "C20822" + ] + }, + { + "compound_id": "C20823", + "inchi": "InChI=1/C11H16N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h2,7-9H,3-5,12H2,1H3,(H,15,16)/b6-2-/f/h15H", + "name": "C20823", + "names": [ + "C20823" + ] + }, + { + "compound_id": "C20829", + "inchi": "InChI=1/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1/f/h11H", + "name": "Sulfoquinovose", + "names": [ + "Sulfoquinovose" + ] + }, + { + "compound_id": "C20830", + "inchi": "InChI=1/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6?/m1/s1/f/h11H", + "name": "6-Deoxy-6-sulfo-D-fructose", + "names": [ + "6-Deoxy-6-sulfo-D-fructose" + ] + }, + { + "compound_id": "C20831", + "inchi": "InChI=1/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6?/m1/s1/f/h10-11,13H", + "name": "6-Deoxy-6-sulfo-D-fructose 1-phosphate", + "names": [ + "6-Deoxy-6-sulfo-D-fructose 1-phosphate" + ] + }, + { + "compound_id": "C20834", + "inchi": "InChI=1/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m0/s1", + "name": "Cyclooctat-9-en-7-ol", + "names": [ + "Cyclooctat-9-en-7-ol" + ] + }, + { + "compound_id": "C20835", + "inchi": "InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1", + "name": "alpha-L-Fucopyranose", + "names": [ + "alpha-L-Fucopyranose" + ] + }, + { + "compound_id": "C20836", + "inchi": "InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1", + "name": "beta-L-Fucopyranose", + "names": [ + "beta-L-Fucopyranose" + ] + }, + { + "compound_id": "C20838", + "inchi": "InChI=1/C34H52N7O19P3S/c1-33(2,28(47)31(48)37-11-9-23(44)36-12-13-64-24(45)7-4-18-19-5-6-22(43)34(19,3)10-8-20(18)42)15-57-63(54,55)60-62(52,53)56-14-21-27(59-61(49,50)51)26(46)32(58-21)41-17-40-25-29(35)38-16-39-30(25)41/h16-19,21,26-28,32,46-47H,4-15H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t18-,19-,21+,26+,27+,28-,32+,34-/m0/s1/f/h36-37,49-50,52,54H,35H2", + "name": "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA", + "names": [ + "3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" + ] + }, + { + "compound_id": "C20839", + "inchi": "InChI=1/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1/f/h29H", + "name": "(25S)-3-Oxocholest-4-en-26-oate", + "names": [ + "(25S)-3-Oxocholest-4-en-26-oate" + ] + }, + { + "compound_id": "C20840", + "inchi": "InChI=1/C48H76N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t27-,28-,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1/f/h50-51,62-63,65,67H,49H2", + "name": "(25S)-3-Oxocholest-4-en-26-oyl-CoA", + "names": [ + "(25S)-3-Oxocholest-4-en-26-oyl-CoA" + ] + }, + { + "compound_id": "C20841", + "inchi": "InChI=1/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)/f/h15H", + "name": "2-Hydroxy-7-methoxy-5-methyl-1-naphthoate", + "names": [ + "2-Hydroxy-7-methoxy-5-methyl-1-naphthoate" + ] + }, + { + "compound_id": "C20842", + "inchi": "InChI=1/C34H46N7O19P3S/c1-17-11-18(55-4)12-20-19(17)5-6-21(42)24(20)33(47)64-10-9-36-23(43)7-8-37-31(46)28(45)34(2,3)14-57-63(53,54)60-62(51,52)56-13-22-27(59-61(48,49)50)26(44)32(58-22)41-16-40-25-29(35)38-15-39-30(25)41/h5-6,11-12,15-16,22,26-28,32,42,44-45H,7-10,13-14H2,1-4H3,(H,36,43)(H,37,46)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1/f/h36-37,48-49,51,53H,35H2", + "name": "2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA", + "names": [ + "2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA" + ] + }, + { + "compound_id": "C20843", + "inchi": "InChI=1/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1/f/h13,15H", + "name": "N5-Phenyl-L-glutamine", + "names": [ + "N5-Phenyl-L-glutamine" + ] + }, + { + "compound_id": "C20844", + "inchi": "InChI=1/C6H11NO5/c7-3(6(11)12)1-4(9)5(10)2-8/h1,4-5,8-10H,2,7H2,(H,11,12)/b3-1-/t4-,5+/m0/s1/f/h11H", + "name": "(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate", + "names": [ + "(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate" + ] + }, + { + "compound_id": "C20845", + "inchi": "InChI=1/C6H11NO5/c7-3(6(11)12)1-4(9)5(10)2-8/h4-5,7-10H,1-2H2,(H,11,12)/t4-,5+/m0/s1/f/h11H", + "name": "(4S,5R)-4,5,6-Trihydroxy-2-iminohexanoate", + "names": [ + "(4S,5R)-4,5,6-Trihydroxy-2-iminohexanoate" + ] + }, + { + "compound_id": "C20846", + "inchi": "InChI=1/C5H8N2O4/c1-2(4(9)10)3(8)7-5(6)11/h2H,1H3,(H,9,10)(H3,6,7,8,11)/f/h7,9H,6H2", + "name": "3-Oxo-3-ureidoisobutyrate", + "names": [ + "3-Oxo-3-ureidoisobutyrate" + ] + }, + { + "compound_id": "C20847", + "inchi": "InChI=1/C6H13O7P/c1-6(2-3-7,4-5(8)9)13-14(10,11)12/h7H,2-4H2,1H3,(H,8,9)(H2,10,11,12)/t6-/m1/s1/f/h8,10-11H", + "name": "(R)-Mevalonate 3-phosphate", + "names": [ + "(R)-Mevalonate 3-phosphate" + ] + }, + { + "compound_id": "C20848", + "inchi": "InChI=1/C6H14O10P2/c1-6(4-5(7)8,16-18(12,13)14)2-3-15-17(9,10)11/h2-4H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14)/t6-/m1/s1/f/h7,9-10,12-13H", + "name": "(R)-Mevalonate 3,5-bisphosphate", + "names": [ + "(R)-Mevalonate 3,5-bisphosphate" + ] + }, + { + "compound_id": "C20849", + "inchi": "InChI=1/C17H25N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-12,14-16,21,24-25,27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,14-,15-,16-/m1/s1/f/h18-19,29,31H", + "name": "UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose", + "names": [ + "UDP-2-acetamido-3-dehydro-2-deoxy-alpha-D-glucopyranose" + ] + }, + { + "compound_id": "C20850", + "inchi": "InChI=1/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1/f/h8H", + "name": "N5-Hydroxy-L-ornithine", + "names": [ + "N5-Hydroxy-L-ornithine" + ] + }, + { + "compound_id": "C20851", + "inchi": "InChI=1/C19H32O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,12-18,20-21H,3,6-11H2,1-2H3,(H,22,23)/t12-,13+,14+,15-,16-,17+,18+/m1/s1/f/h22H", + "name": "Dihydromonacolin L acid", + "names": [ + "Dihydromonacolin L acid" + ] + }, + { + "compound_id": "C20852", + "inchi": "InChI=1/C19H32O5/c1-11-3-5-17-13(7-11)8-18(22)12(2)16(17)6-4-14(20)9-15(21)10-19(23)24/h8,11-12,14-18,20-22H,3-7,9-10H2,1-2H3,(H,23,24)/t11-,12-,14-,15-,16+,17+,18-/m1/s1/f/h23H", + "name": "3alpha-Hydroxy-3,5-dihydromonacolin L acid", + "names": [ + "3alpha-Hydroxy-3,5-dihydromonacolin L acid" + ] + }, + { + "compound_id": "C20853", + "inchi": "InChI=1/C19H30O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,9,12-13,15-18,20-21H,3,6-8,10-11H2,1-2H3,(H,22,23)/t12-,13+,15-,16-,17+,18+/m1/s1/f/h22H", + "name": "Monacolin L acid", + "names": [ + "Monacolin L acid" + ] + }, + { + "compound_id": "C20854", + "inchi": "InChI=1/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1/f/h23H", + "name": "Monacolin J acid", + "names": [ + "Monacolin J acid" + ] + }, + { + "compound_id": "C20855", + "inchi": "InChI=1/C22H32O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h2-5,8-11,14-17,23H,1,6-7,12-13,18-21H2,(H,24,25)/b4-2-,5-3-,10-8-,11-9-,16-14-,17-15-/f/h24H", + "name": "22-Hydroxydocosahexaenoate", + "names": [ + "22-Hydroxydocosahexaenoate" + ] + }, + { + "compound_id": "C20856", + "inchi": "InChI=1/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/f/h14H", + "name": "2-Hydroxy-5-methyl-1-naphthoate", + "names": [ + "2-Hydroxy-5-methyl-1-naphthoate" + ] + }, + { + "compound_id": "C20857", + "inchi": "InChI=1/C12H10O4/c1-6-4-7(13)5-9-8(6)2-3-10(14)11(9)12(15)16/h2-5,13-14H,1H3,(H,15,16)/f/h15H", + "name": "2,7-Dihydroxy-5-methyl-1-naphthoate", + "names": [ + "2,7-Dihydroxy-5-methyl-1-naphthoate" + ] + }, + { + "compound_id": "C20861", + "inchi": "InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11?,12+/m1/s1", + "name": "Mannobiose", + "names": [ + "Mannobiose" + ] + }, + { + "compound_id": "C20870", + "inchi": "InChI=1/C25H42N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1/f/h27-28,38-39,41,43H,26H2", + "name": "3-(Methylthio)propanoyl-CoA", + "names": [ + "3-(Methylthio)propanoyl-CoA" + ] + }, + { + "compound_id": "C20871", + "inchi": "InChI=1/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H", + "name": "3'-Hydroxyflavone", + "names": [ + "3'-Hydroxyflavone" + ] + }, + { + "compound_id": "C20872", + "inchi": "InChI=1/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3", + "name": "3'-Methoxyflavone", + "names": [ + "3'-Methoxyflavone" + ] + }, + { + "compound_id": "C20887", + "inchi": "InChI=1/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13?,14+/m1/s1/f/h15H", + "name": "beta-D-Mannosyl-1,4-N-acetyl-D-glucosamine", + "names": [ + "beta-D-Mannosyl-1,4-N-acetyl-D-glucosamine" + ] + }, + { + "compound_id": "C20888", + "inchi": "InChI=1/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1/f/h21H", + "name": "Cellobionate", + "names": [ + "Cellobionate" + ] + }, + { + "compound_id": "C20889", + "inchi": "InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2+,3+,4-/m0/s1/f/h10H", + "name": "D-Galactaro-1,5-lactone", + "names": [ + "D-Galactaro-1,5-lactone" + ] + }, + { + "compound_id": "C20890", + "inchi": "InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1/f/h10H", + "name": "D-Glucaro-1,5-lactone", + "names": [ + "D-Glucaro-1,5-lactone" + ] + }, + { + "compound_id": "C20891", + "inchi": "InChI=1/C3H3NO2/c5-3-1-2-4-6-3/h1-2,4H", + "name": "Isoxazolin-5-one", + "names": [ + "Isoxazolin-5-one" + ] + }, + { + "compound_id": "C20892", + "inchi": "InChI=1/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)/t4-/m0/s1/f/h10H", + "name": "3-(5-Oxoisoxazolin-2-yl)-L-alanine", + "names": [ + "3-(5-Oxoisoxazolin-2-yl)-L-alanine" + ] + }, + { + "compound_id": "C20893", + "inchi": "InChI=1/C6H8N2O4/c7-4(5(9)10)1-3-2-8-12-6(3)11/h2,4,8H,1,7H2,(H,9,10)/t4-/m0/s1/f/h9H", + "name": "3-(5-Oxoisoxazolin-4-yl)-L-alanine", + "names": [ + "3-(5-Oxoisoxazolin-4-yl)-L-alanine" + ] + }, + { + "compound_id": "C20894", + "inchi": "InChI=1/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1", + "name": "beta-Citraurin", + "names": [ + "beta-Citraurin" + ] + }, + { + "compound_id": "C20895", + "inchi": "InChI=1/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1/f/h12H", + "name": "(2S,3S)-3-Methylphenylalanine", + "names": [ + "(2S,3S)-3-Methylphenylalanine" + ] + }, + { + "compound_id": "C20896", + "inchi": "InChI=1/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m1/s1/f/h10H", + "name": "D-Galactaro-1,4-lactone", + "names": [ + "D-Galactaro-1,4-lactone" + ] + }, + { + "compound_id": "C20899", + "inchi": "InChI=1/C6H4O3/c7-3-5-1-2-6(4-8)9-5/h1-4H", + "name": "Furan-2,5-dicarbaldehyde", + "names": [ + "Furan-2,5-dicarbaldehyde" + ] + }, + { + "compound_id": "C20900", + "inchi": "InChI=1/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,6,8-9H", + "name": "5-(Dihydroxymethyl)furan-2-carbaldehyde", + "names": [ + "5-(Dihydroxymethyl)furan-2-carbaldehyde" + ] + }, + { + "compound_id": "C20901", + "inchi": "InChI=1/C6H6O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5,7-8H,(H,9,10)/f/h9H", + "name": "5-(Dihydroxymethyl)furan-2-carboxylate", + "names": [ + "5-(Dihydroxymethyl)furan-2-carboxylate" + ] + }, + { + "compound_id": "C20902", + "inchi": "InChI=1/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1", + "name": "3,6-Anhydro-alpha-L-galactopyranose", + "names": [ + "3,6-Anhydro-alpha-L-galactopyranose" + ] + }, + { + "compound_id": "C20903", + "inchi": "InChI=1/C6H10O6/c7-2-1-12-5(3(2)8)4(9)6(10)11/h2-5,7-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1/f/h10H", + "name": "3,6-Anhydro-L-galactonate", + "names": [ + "3,6-Anhydro-L-galactonate" + ] + }, + { + "compound_id": "C20904", + "inchi": "InChI=1/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)/f/h5H", + "name": "2-Iminopropanoate", + "names": [ + "2-Iminopropanoate" + ] + }, + { + "compound_id": "C20905", + "inchi": "InChI=1/C4H7NO2/c1-2-3(5)4(6)7/h5H,2H2,1H3,(H,6,7)/f/h6H", + "name": "2-Iminobutanoate", + "names": [ + "2-Iminobutanoate" + ] + }, + { + "compound_id": "C20910", + "inchi": "InChI=1/C14H21N5O4/c15-11(8-3-5-9(20)6-4-8)12(21)19-10(13(22)23)2-1-7-18-14(16)17/h3-6,10-11,20H,1-2,7,15H2,(H,19,21)(H,22,23)(H4,16,17,18)/t10-,11-/m0/s1/f/h16,18-19,22H,17H2", + "name": "L-4-Hydroxyphenylglycyl-L-arginine", + "names": [ + "L-4-Hydroxyphenylglycyl-L-arginine" + ] + }, + { + "compound_id": "C20913", + "inchi": "InChI=1/C8H14N2O6/c9-4(7(13)14)2-1-3(6(11)12)5(10)8(15)16/h3-5H,1-2,9-10H2,(H,11,12)(H,13,14)(H,15,16)/t3?,4-,5?/m0/s1/f/h11,13,15H", + "name": "C20913", + "names": [ + "C20913" + ] + }, + { + "compound_id": "C20914", + "inchi": "InChI=1/C7H14N2O4/c8-3-4(6(10)11)1-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4?,5-/m0/s1/f/h10,12H", + "name": "C20914", + "names": [ + "C20914" + ] + }, + { + "compound_id": "C20917", + "inchi": "InChI=1/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6(12)2-3-11(20)4-13-10(11)19/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1/f/h13-14,17H", + "name": "Tabtoxin", + "names": [ + "Tabtoxin" + ] + }, + { + "compound_id": "C20918", + "inchi": "InChI=1/C7H12N2O4/c8-4(5(10)11)1-2-7(13)3-9-6(7)12/h4,13H,1-3,8H2,(H,9,12)(H,10,11)/t4-,7-/m0/s1/f/h9-10H", + "name": "Tabtoxinine-beta-lactam", + "names": [ + "Tabtoxinine-beta-lactam" + ] + }, + { + "compound_id": "C20919", + "inchi": "InChI=1/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6-2-3-11(20,4-12)10(19)13-6/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1/f/h13-14,17H", + "name": "Isotabtoxin", + "names": [ + "Isotabtoxin" + ] + }, + { + "compound_id": "C20920", + "inchi": "InChI=1/C7H12N2O4/c8-3-7(13)2-1-4(5(10)11)9-6(7)12/h4,13H,1-3,8H2,(H,9,12)(H,10,11)/t4-,7-/m0/s1/f/h9-10H", + "name": "Tabtoxinine-delta-lactam", + "names": [ + "Tabtoxinine-delta-lactam" + ] + }, + { + "compound_id": "C20921", + "inchi": "InChI=1/C9H14N2O5/c1-5(12)11-6(7(13)14)2-3-9(16)4-10-8(9)15/h6,16H,2-4H2,1H3,(H,10,15)(H,11,12)(H,13,14)/t6-,9-/m0/s1/f/h10-11,13H", + "name": "N1-Acetyl-tabtoxinine-beta-lactam", + "names": [ + "N1-Acetyl-tabtoxinine-beta-lactam" + ] + }, + { + "compound_id": "C20922", + "inchi": "InChI=1/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+", + "name": "Cembrene C", + "names": [ + "Cembrene C" + ] + }, + { + "compound_id": "C20923", + "inchi": "InChI=1/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m0/s1", + "name": "(R)-Nephthenol", + "names": [ + "(R)-Nephthenol" + ] + }, + { + "compound_id": "C20924", + "inchi": "InChI=1/C20H34O/c1-16-8-6-10-17(2)12-13-19(21)20(4,5)15-14-18(3)11-7-9-16/h9-10,14,19,21H,6-8,11-13,15H2,1-5H3/b16-9+,17-10+,18-14+/t19-/m0/s1", + "name": "(1S,4E,8E,12E)-2,2,5,9,13-Pentamethylcyclopentadeca-4,8,12-trien-1-ol", + "names": [ + "(1S,4E,8E,12E)-2,2,5,9,13-Pentamethylcyclopentadeca-4,8,12-trien-1-ol" + ] + }, + { + "compound_id": "C20925", + "inchi": "InChI=1/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/t7-,8+,9-,10+/m0/s1/f/h18-19,22,24,26H", + "name": "L-Alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate", + "names": [ + "L-Alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate" + ] + }, + { + "compound_id": "C20926", + "inchi": "InChI=1/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1/f/h15,18H", + "name": "gamma-Glutamyltyramine", + "names": [ + "gamma-Glutamyltyramine" + ] + }, + { + "compound_id": "C20936", + "inchi": "InChI=1/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1/f/h50-51,53,55,57,59H,31-33H2", + "name": "pppA2'p5'A2'p5'A", + "names": [ + "pppA2'p5'A2'p5'A" + ] + }, + { + "compound_id": "C20940", + "inchi": "InChI=1/C9H15NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-8,11H,1-3,10H2,(H,12,13)/t4-,5-,6+,7+,8-/m0/s1/f/h12H", + "name": "L-Dihydroanticapsin", + "names": [ + "L-Dihydroanticapsin" + ] + }, + { + "compound_id": "C20941", + "inchi": "InChI=1/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1/f/h12H", + "name": "L-Anticapsin", + "names": [ + "L-Anticapsin" + ] + }, + { + "compound_id": "C20942", + "inchi": "InChI=1/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7-,9+,10-/m0/s1/f/h14,17H", + "name": "Bacilysin", + "names": [ + "Bacilysin" + ] + }, + { + "compound_id": "C20943", + "inchi": "InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3/t10-/m0/s1", + "name": "(R)-Ipsdienol", + "names": [ + "(R)-Ipsdienol" + ] + }, + { + "compound_id": "C20944", + "inchi": "InChI=1/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3", + "name": "Ipsdienone", + "names": [ + "Ipsdienone" + ] + }, + { + "compound_id": "C20945", + "inchi": "InChI=1/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1", + "name": "Erythrodiol", + "names": [ + "Erythrodiol" + ] + }, + { + "compound_id": "C20946", + "inchi": "InChI=1/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1", + "name": "Oleanolic aldehyde", + "names": [ + "Oleanolic aldehyde" + ] + }, + { + "compound_id": "C20953", + "inchi": "InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-3,7,10H,4-5H2,(H,12,13)/t7-/m0/s1/f/h12H", + "name": "3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate", + "names": [ + "3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate" + ] + }, + { + "compound_id": "C20954", + "inchi": "InChI=1/C6H7O6P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1-3H,4H2,(H2,8,9,10)/f/h8-9H", + "name": "(5-Formylfuran-3-yl)methyl phosphate", + "names": [ + "(5-Formylfuran-3-yl)methyl phosphate" + ] + }, + { + "compound_id": "C20955", + "inchi": "InChI=1/C25H40N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h5,8,12-14,18-20,24,35-36H,4,6-7,9-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b8-5+/t14-,18-,19-,20+,24-/m1/s1/f/h27-28,38-39,41,43H,26H2", + "name": "3-(Methylthio)acryloyl-CoA", + "names": [ + "3-(Methylthio)acryloyl-CoA" + ] + }, + { + "compound_id": "C20956", + "inchi": "InChI=1/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7+/m1/s1/f/h13-14H", + "name": "alpha-D-Sedoheptulopyranose 7-phosphate", + "names": [ + "alpha-D-Sedoheptulopyranose 7-phosphate" + ] + }, + { + "compound_id": "C20957", + "inchi": "InChI=1/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5+/m0/s1/f/h10-11,14H", + "name": "L-Alanyl-D-glutamate", + "names": [ + "L-Alanyl-D-glutamate" + ] + }, + { + "compound_id": "C20958", + "inchi": "InChI=1/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1/f/h10-11,14H", + "name": "L-Alanyl-L-glutamate", + "names": [ + "L-Alanyl-L-glutamate" + ] + }, + { + "compound_id": "C20959", + "inchi": "InChI=1/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m0/s1/f/h9-10H", + "name": "(4S)-4-Hydroxy-5-phosphonooxypentane-2,3-dione", + "names": [ + "(4S)-4-Hydroxy-5-phosphonooxypentane-2,3-dione" + ] + }, + { + "compound_id": "C20960", + "inchi": "InChI=1/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/f/h9-10H", + "name": "3-Hydroxy-5-phosphonooxypentane-2,4-dione", + "names": [ + "3-Hydroxy-5-phosphonooxypentane-2,4-dione" + ] + }, + { + "compound_id": "C20961", + "inchi": "InChI=1/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/b2-1+/t4-/m0/s1/f/h9,11,13H", + "name": "N3-Fumaroyl-(S)-2,3-diaminopropanoate", + "names": [ + "N3-Fumaroyl-(S)-2,3-diaminopropanoate" + ] + }, + { + "compound_id": "C20968", + "inchi": "InChI=1/C25H42N7O18P3S2/c1-25(2,20(37)23(38)28-5-4-14(33)27-6-7-55-16(35)8-15(34)54-3)10-47-53(44,45)50-52(42,43)46-9-13-19(49-51(39,40)41)18(36)24(48-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,15,18-20,24,34,36-37H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,15?,18-,19-,20+,24-/m1/s1/f/h27-28,39-40,42,44H,26H2", + "name": "3-Hydroxy-3-(methylthio)propanoyl-CoA", + "names": [ + "3-Hydroxy-3-(methylthio)propanoyl-CoA" + ] + }, + { + "compound_id": "C20969", + "inchi": "InChI=1/CH3O6P/c2-1(3)7-8(4,5)6/h(H,2,3)(H2,4,5,6)/f/h2,4-5H", + "name": "Carboxyphosphate", + "names": [ + "Carboxyphosphate" + ] + }, + { + "compound_id": "C20974", + "inchi": "InChI=1/C28H28O15/c1-8-15-10(6-12(16(8)25(37)41-4)43-26-21(33)20(32)18(30)9(2)42-26)5-11-17(19(15)31)24(36)27(38)14(29)7-13(40-3)23(35)28(27,39)22(11)34/h5-7,9,18,20-21,23,26,30-33,35,38-39H,1-4H3/t9-,18-,20+,21+,23+,26-,27+,28+/m0/s1", + "name": "8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C", + "names": [ + "8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C" + ] + }, + { + "compound_id": "C20975", + "inchi": "InChI=1/C29H30O15/c1-9-16-11(7-13(17(9)26(37)42-5)44-27-22(41-4)21(33)19(31)10(2)43-27)6-12-18(20(16)32)25(36)28(38)15(30)8-14(40-3)24(35)29(28,39)23(12)34/h6-8,10,19,21-22,24,27,31-33,35,38-39H,1-5H3/t10-,19-,21+,22+,24+,27-,28+,29+/m0/s1", + "name": "8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C", + "names": [ + "8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C" + ] + }, + { + "compound_id": "C20976", + "inchi": "InChI=1/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1", + "name": "8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C", + "names": [ + "8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C" + ] + }, + { + "compound_id": "C20977", + "inchi": "InChI=1/C31H34O15/c1-11-18-13(9-15(19(11)28(37)44-7)46-29-24(43-6)23(42-5)22(41-4)12(2)45-29)8-14-20(21(18)33)27(36)30(38)17(32)10-16(40-3)26(35)31(30,39)25(14)34/h8-10,12,22-24,26,29,33,35,38-39H,1-7H3/t12-,22-,23+,24+,26+,29-,30+,31+/m0/s1", + "name": "8-Demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C", + "names": [ + "8-Demethyl-8-(2,3,4-tri-O-methyl-alpha-L-rhamnosyl)tetracenomycin C" + ] + }, + { + "compound_id": "C20980", + "inchi": "InChI=1/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15)/f/h14H", + "name": "3-Methoxy-5-methyl-1-naphthoate", + "names": [ + "3-Methoxy-5-methyl-1-naphthoate" + ] + }, + { + "compound_id": "C20981", + "inchi": "InChI=1/C13H10N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7,14-15H,(H,16,17)/f/h16H", + "name": "5,10-Dihydrophenazine-1-carboxylate", + "names": [ + "5,10-Dihydrophenazine-1-carboxylate" + ] + }, + { + "compound_id": "C20982", + "inchi": "InChI=1/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)/f/h21H", + "name": "9-(Dimethylallyl)-5,10-dihydrophenazine-1-carboxylate", + "names": [ + "9-(Dimethylallyl)-5,10-dihydrophenazine-1-carboxylate" + ] + }, + { + "compound_id": "C20983", + "inchi": "InChI=1/C14H19NO3/c1-10(2)7-8-18-12-5-3-11(4-6-12)9-13(15)14(16)17/h3-7,13H,8-9,15H2,1-2H3,(H,16,17)/t13-/m0/s1/f/h16H", + "name": "4-O-Dimethylallyl-L-tyrosine", + "names": [ + "4-O-Dimethylallyl-L-tyrosine" + ] + }, + { + "compound_id": "C20984", + "inchi": "InChI=1/C20H22O5/c1-5-20(4,8-6-7-11(2)3)16-18(24)15-13(17(23)19(16)25)9-12(21)10-14(15)22/h5,7,9-10,21-22,25H,1,6,8H2,2-4H3", + "name": "3-Linalylflaviolin", + "names": [ + "3-Linalylflaviolin" + ] + }, + { + "compound_id": "C20985", + "inchi": "InChI=1/C12H22O14S/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1/f/h20H", + "name": "2-Sulfotrehalose", + "names": [ + "2-Sulfotrehalose" + ] + }, + { + "compound_id": "C20986", + "inchi": "InChI=1/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(7)4(3)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5?/m1/s1/f/h8-9,11-12H", + "name": "D-Ribose 2,5-bisphosphate", + "names": [ + "D-Ribose 2,5-bisphosphate" + ] + }, + { + "compound_id": "C20987", + "inchi": "InChI=1/C24H40N7O19P3S2/c1-24(2,19(35)22(36)27-5-3-14(32)26-6-7-54-15(33)4-8-55(44)45)10-47-53(42,43)50-52(40,41)46-9-13-18(49-51(37,38)39)17(34)23(48-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,3-10H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H,44,45)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1/f/h26-27,37-38,40,42,44H,25H2", + "name": "3-Sulfinopropanoyl-CoA", + "names": [ + "3-Sulfinopropanoyl-CoA" + ] + }, + { + "compound_id": "C20992", + "inchi": "InChI=1/C17H28O3/c1-5-14(9-7-8-13(3)12-16(18)19)10-11-15-17(4,6-2)20-15/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,19)/b13-12+,14-9+/t15-,17+/m1/s1/f/h18H", + "name": "Juvenile hormone I acid", + "names": [ + "Juvenile hormone I acid" + ] + }, + { + "compound_id": "C20993", + "inchi": "InChI=1/C9H14N4O5S/c10-4(8(14)15)1-6-7(13-3-12-6)19(18)2-5(11)9(16)17/h3-5H,1-2,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t4-,5-,19?/m0/s1/f/h13-14,16H", + "name": "S-(L-Histidin-5-yl)-L-cysteine S-oxide", + "names": [ + "S-(L-Histidin-5-yl)-L-cysteine S-oxide" + ] + }, + { + "compound_id": "C20994", + "inchi": "InChI=1/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/p+1/t8-,9-,22?/m0/s1/fC12H21N4O5S/h14,17,19H/q+1", + "name": "S-(Hercyn-2-yl)-L-cysteine S-oxide", + "names": [ + "S-(Hercyn-2-yl)-L-cysteine S-oxide" + ] + }, + { + "compound_id": "C20995", + "inchi": "InChI=1/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p+1/t10-,11-,12-,31?/m0/s1/fC17H28N5O8S/h19,21,24,26,28H/q+1", + "name": "gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide", + "names": [ + "gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide" + ] + }, + { + "compound_id": "C21001", + "inchi": "InChI=1/C12H10O5/c1-5-10(15)9-7(11(16)12(5)17-2)3-6(13)4-8(9)14/h3-4,13-14H,1-2H3", + "name": "2-O,3-Dimethylflaviolin", + "names": [ + "2-O,3-Dimethylflaviolin" + ] + }, + { + "compound_id": "C21002", + "inchi": "InChI=1/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3", + "name": "6-Linalyl-2-O,3-dimethylflaviolin", + "names": [ + "6-Linalyl-2-O,3-dimethylflaviolin" + ] + }, + { + "compound_id": "C21003", + "inchi": "InChI=1/C22H26O5/c1-13(2)7-6-8-14(3)9-10-27-16-11-17-19(18(23)12-16)20(24)15(4)22(26-5)21(17)25/h7,9,11-12,23H,6,8,10H2,1-5H3/b14-9+", + "name": "7-O-Geranyl-2-O,3-dimethylflaviolin", + "names": [ + "7-O-Geranyl-2-O,3-dimethylflaviolin" + ] + }, + { + "compound_id": "C21004", + "inchi": "InChI=1/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2", + "name": "Norspermine", + "names": [ + "Norspermine" + ] + }, + { + "compound_id": "C21005", + "inchi": "InChI=1/C39H68N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,26-28,32-34,38,47,50-51H,5-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b4-3-/t28-,32-,33-,34+,38-/m1/s1/f/h41-42,53-54,56,58H,40H2", + "name": "18-Hydroxyoleoyl-CoA", + "names": [ + "18-Hydroxyoleoyl-CoA" + ] + }, + { + "compound_id": "C21006", + "inchi": "InChI=1/C39H66N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,7,9,26-28,32-34,38,47,50-51H,5-6,8,10-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b4-3-,9-7-/t28-,32-,33-,34+,38-/m1/s1/f/h41-42,53-54,56,58H,40H2", + "name": "18-Hydroxylinoleoyl-CoA", + "names": [ + "18-Hydroxylinoleoyl-CoA" + ] + }, + { + "compound_id": "C21007", + "inchi": "InChI=1/C9H15N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h3-4,6,12,15-17H,1-2H2,(H4,10,11,13,14,18)/t3?,4-,6-/m0/s1/f/h11,14H,10H2", + "name": "5,6,7,8-Tetrahydromonapterin", + "names": [ + "5,6,7,8-Tetrahydromonapterin" + ] + }, + { + "compound_id": "C21008", + "inchi": "InChI=1/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1/f/h11,14H,10H2", + "name": "7,8-Dihydromonapterin", + "names": [ + "7,8-Dihydromonapterin" + ] + }, + { + "compound_id": "C21015", + "inchi": "InChI=1/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6-/m0/s1/f/h11,13,15H", + "name": "gamma-L-Glutamyl-L-2-aminobutyrate", + "names": [ + "gamma-L-Glutamyl-L-2-aminobutyrate" + ] + }, + { + "compound_id": "C21016", + "inchi": "InChI=1/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1/f/h13-14,16,19H", + "name": "Ophthalmate", + "names": [ + "Ophthalmate" + ] + }, + { + "compound_id": "C21017", + "inchi": "InChI=1/C15H24N4O8P2S/c1-4-12(20)15-19(8-11-7-17-10(3)18-14(11)16)9(2)13(30-15)5-6-26-29(24,25)27-28(21,22)23/h7,12,20H,4-6,8H2,1-3H3,(H4-,16,17,18,21,22,23,24,25)/p+1/fC15H25N4O8P2S/h21-22,24H,16H2/q+1", + "name": "2-(alpha-Hydroxypropyl)thiamine diphosphate", + "names": [ + "2-(alpha-Hydroxypropyl)thiamine diphosphate" + ] + }, + { + "compound_id": "C21026", + "inchi": "InChI=1/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/f/h8,10-11H,9H2", + "name": "Iminoarginine", + "names": [ + "Iminoarginine" + ] + }, + { + "compound_id": "C21027", + "inchi": "InChI=1/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1/f/h12,16,18-19H", + "name": "N-Acetylmuramic acid alpha-1-phosphate", + "names": [ + "N-Acetylmuramic acid alpha-1-phosphate" + ] + }, + { + "compound_id": "C21028", + "inchi": "InChI=1/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m1/s1/f/h6-7H", + "name": "(R)-5,6-Dihydrothymine", + "names": [ + "(R)-5,6-Dihydrothymine" + ] + }, + { + "compound_id": "C21029", + "inchi": "InChI=1/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m1/s1/f/h7-8H,6H2", + "name": "(R)-3-Ureidoisobutyrate", + "names": [ + "(R)-3-Ureidoisobutyrate" + ] + }, + { + "compound_id": "C21030", + "inchi": "InChI=1/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m1/s1/f/h6H", + "name": "(R)-Methylmalonate semialdehyde", + "names": [ + "(R)-Methylmalonate semialdehyde" + ] + }, + { + "compound_id": "C21064", + "inchi": "InChI=1/C6H10O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H,11,12,13)/t2-,3-,4+,5-/m1/s1/f/h11H", + "name": "6-Deoxy-6-sulfo-D-glucono-1,5-lactone", + "names": [ + "6-Deoxy-6-sulfo-D-glucono-1,5-lactone" + ] + }, + { + "compound_id": "C21065", + "inchi": "InChI=1/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13)/f/h8-9,11H,7H2", + "name": "7,8-Dihydroxanthopterin", + "names": [ + "7,8-Dihydroxanthopterin" + ] + }, + { + "compound_id": "C21068", + "inchi": "InChI=1/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)/f/h8-9H", + "name": "[5-(aminomethyl)furan-3-yl]methyl phosphate", + "names": [ + "[5-(aminomethyl)furan-3-yl]methyl phosphate" + ] + }, + { + "compound_id": "C21069", + "inchi": "InChI=1/C6H11NO8P2/c7-2-6-1-5(3-13-6)4-14-17(11,12)15-16(8,9)10/h1,3H,2,4,7H2,(H,11,12)(H2,8,9,10)/f/h8-9,11H", + "name": "[5-(aminomethyl)furan-3-yl]methyl diphosphate", + "names": [ + "[5-(aminomethyl)furan-3-yl]methyl diphosphate" + ] + }, + { + "compound_id": "C21070", + "inchi": "InChI=1/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/f/h22,24H", + "name": "(4-{4-[2-(gamma-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine", + "names": [ + "(4-{4-[2-(gamma-L-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine" + ] + }, + { + "compound_id": "C21071", + "inchi": "InChI=1/C17H26N2O14P2/c1-8-6-19(17(23)18-16(8)22)13-4-10(20)12(31-13)7-29-34(24,25)33-35(26,27)32-14-5-11(28-3)15(21)9(2)30-14/h6,9-14,20H,4-5,7H2,1-3H3,(H,24,25)(H,26,27)(H,18,22,23)/t9-,10-,11-,12+,13+,14+/m0/s1/f/h18,24,26H", + "name": "dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose", + "names": [ + "dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose" + ] + }, + { + "compound_id": "C21073", + "inchi": "InChI=1/C18H29N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11-,12+,13-,14-,15-/m1/s1/f/h19,26,28H", + "name": "dTDP-3-N,N-dimethylamino-2,3,6-trideoxy-4-keto-D-glucose", + "names": [ + "dTDP-3-N,N-dimethylamino-2,3,6-trideoxy-4-keto-D-glucose" + ] + }, + { + "compound_id": "C21074", + "inchi": "InChI=1/C18H29N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12-,13+,14+,15+/m0/s1/f/h19,26,28H", + "name": "dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-L-allose", + "names": [ + "dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-L-allose" + ] + }, + { + "compound_id": "C21075", + "inchi": "InChI=1/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7H,2,6H2,1H3,(H,11,13)/f/h13H", + "name": "5-(N-Methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol", + "names": [ + "5-(N-Methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol" + ] + }, + { + "compound_id": "C21078", + "inchi": "InChI=1/C12H14O2/c1-11(6-3-4-9-13)7-5-8-12(2)10-14/h3-10H,1-2H3/b4-3+,7-5+,11-6+,12-8+", + "name": "2,6-Dimethyldeca-2,4,6,8-tetraenedial", + "names": [ + "2,6-Dimethyldeca-2,4,6,8-tetraenedial" + ] + }, + { + "compound_id": "C21079", + "inchi": "InChI=1/C9H10N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-4,6-8,14-15H,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/f/h10H", + "name": "5'-Dehydrouridine", + "names": [ + "5'-Dehydrouridine" + ] + }, + { + "compound_id": "C21080", + "inchi": "InChI=1/C12H24O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/f/h14H", + "name": "7-Hydroxydodecanoate", + "names": [ + "7-Hydroxydodecanoate" + ] + }, + { + "compound_id": "C21081", + "inchi": "InChI=1/C28H40N7O19P3S/c1-28(2,22(40)25(41)31-6-5-18(38)30-7-8-58-27(42)15-9-14(36)3-4-16(15)37)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)35-13-34-19-23(29)32-12-33-24(19)35/h3-4,9,12-13,17,20-22,26,36-37,39-40H,5-8,10-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t17-,20-,21-,22+,26-/m1/s1/f/h30-31,43-44,46,48H,29H2", + "name": "Gentisyl-CoA", + "names": [ + "Gentisyl-CoA" + ] + }, + { + "compound_id": "C21084", + "inchi": "InChI=1/C30H46O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24,31-32H,8-16,20H2,1-5H3/b25-19+", + "name": "Demethylphylloquinol", + "names": [ + "Demethylphylloquinol" + ] + }, + { + "compound_id": "C21085", + "inchi": "InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,5,7,10H,2,4H2,(H,12,13)/b6-5-/t7-/m0/s1/f/h12H", + "name": "3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate", + "names": [ + "3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate" + ] + }, + { + "compound_id": "C21086", + "inchi": "InChI=1/C9H10O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h3,5,7-8,10H,1-2H2,(H,12,13)/b4-3+/t5-,7-,8+/m1/s1/f/h12H", + "name": "(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate", + "names": [ + "(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate" + ] + }, + { + "compound_id": "C21087", + "inchi": "InChI=1/C9H12O5/c10-5-2-1-4(7-8(5)14-7)3-6(11)9(12)13/h4-5,7-8,10H,1-3H2,(H,12,13)/t4-,5+,7+,8-/m0/s1/f/h12H", + "name": "3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate", + "names": [ + "3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate" + ] + }, + { + "compound_id": "C21088", + "inchi": "InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3-,4-/m1/s1/f/h11,13H", + "name": "L-Altarate", + "names": [ + "L-Altarate" + ] + }, + { + "compound_id": "C21089", + "inchi": "InChI=1/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1/f/h29-30,41-42,44,46H,28H2", + "name": "(R)-2-Hydroxyisocaproyl-CoA", + "names": [ + "(R)-2-Hydroxyisocaproyl-CoA" + ] + }, + { + "compound_id": "C21090", + "inchi": "InChI=1/C27H44N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h5-6,13-16,20-22,26,37-38H,7-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5+/t16-,20-,21-,22+,26-/m1/s1/f/h29-30,40-41,43,45H,28H2", + "name": "Isocaprenoyl-CoA", + "names": [ + "Isocaprenoyl-CoA" + ] + }, + { + "compound_id": "C21091", + "inchi": "InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4+/m1/s1/f/h10,12H", + "name": "(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate", + "names": [ + "(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate" + ] + }, + { + "compound_id": "C21092", + "inchi": "InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1/f/h8H", + "name": "D-allo-Isoleucine", + "names": [ + "D-allo-Isoleucine" + ] + }, + { + "compound_id": "C21094", + "inchi": "InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6-/m0/s1/f/h11,14,18-19,21,23H,10H2", + "name": "7,8-Dihydromonapterin 3'-triphosphate", + "names": [ + "7,8-Dihydromonapterin 3'-triphosphate" + ] + }, + { + "compound_id": "C21095", + "inchi": "InChI=1/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1/f/h10H", + "name": "D-Glucaro-1,4-lactone", + "names": [ + "D-Glucaro-1,4-lactone" + ] + }, + { + "compound_id": "C21100", + "inchi": "InChI=1/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2", + "name": "Caldopentamine", + "names": [ + "Caldopentamine" + ] + }, + { + "compound_id": "C21102", + "inchi": "InChI=1/C10H12N4O4/c1-4-6(15)7(16)10(18-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H3,(H,11,12,17)/t4-,6-,7-,10-/m1/s1/f/h12H", + "name": "5'-Deoxyinosine", + "names": [ + "5'-Deoxyinosine" + ] + }, + { + "compound_id": "C21103", + "inchi": "InChI=1/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H", + "name": "2,6-Dichloro-p-benzoquinone", + "names": [ + "2,6-Dichloro-p-benzoquinone" + ] + }, + { + "compound_id": "C21104", + "inchi": "InChI=1/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H", + "name": "2,5-Dichloro-p-benzoquinone", + "names": [ + "2,5-Dichloro-p-benzoquinone" + ] + }, + { + "compound_id": "C21105", + "inchi": "InChI=1/C6H3ClO3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H", + "name": "5-Chloro-2-hydroxy-p-benzoquinone", + "names": [ + "5-Chloro-2-hydroxy-p-benzoquinone" + ] + }, + { + "compound_id": "C21106", + "inchi": "InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23?,24+,25-,26-,27-,28+/m0/s1", + "name": "24-epi-Campesterol", + "names": [ + "24-epi-Campesterol" + ] + }, + { + "compound_id": "C21107", + "inchi": "InChI=1/C11H15O8P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-14H,5H2,(H2,15,16,17)/t8-,9-,10-,11+/m1/s1/f/h15-16H", + "name": "4-(beta-D-Ribofuranosyl)phenol 5'-phosphate", + "names": [ + "4-(beta-D-Ribofuranosyl)phenol 5'-phosphate" + ] + }, + { + "compound_id": "C21109", + "inchi": "InChI=1/C10H8Cl2N2/c11-8-3-1-2-6(10(8)13)7-4-14-5-9(7)12/h1-5,14H,13H2", + "name": "Aminopyrrolnitrin", + "names": [ + "Aminopyrrolnitrin" + ] + }, + { + "compound_id": "C21110", + "inchi": "InChI=1/C10H9ClN2/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-6,13H,12H2", + "name": "Monodechloroaminopyrrolnitrin", + "names": [ + "Monodechloroaminopyrrolnitrin" + ] + }, + { + "compound_id": "C21113", + "inchi": "InChI=1/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1/f/h17-18H,12H2", + "name": "NMNH", + "names": [ + "NMNH" + ] + }, + { + "compound_id": "C21117", + "inchi": "InChI=1/C40H63N5O3/c1-23(9-10-26-31(46)32(47)35(48-26)45-22-44-30-33(41)42-21-43-34(30)45)24-13-18-37(4)25(24)14-19-39(6)28(37)11-12-29-38(5)17-8-16-36(2,3)27(38)15-20-40(29,39)7/h21-29,31-32,35,46-47H,8-20H2,1-7H3,(H2,41,42,43)/t23-,24-,25+,26-,27+,28-,29-,31-,32-,35-,37+,38+,39-,40-/m1/s1/f/h41H2", + "name": "Adenosylhopane", + "names": [ + "Adenosylhopane" + ] + }, + { + "compound_id": "C21118", + "inchi": "InChI=1/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-19-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8-20H2,1-7H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30?,32+,33+,34-,35-/m1/s1", + "name": "Ribosylhopane", + "names": [ + "Ribosylhopane" + ] + }, + { + "compound_id": "C21119", + "inchi": "InChI=1/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1", + "name": "Bacteriohopanetetrol", + "names": [ + "Bacteriohopanetetrol" + ] + }, + { + "compound_id": "C21120", + "inchi": "InChI=1/C43H75NO9/c1-24(10-11-28(47)35(49)29(48)23-52-38-34(44-25(2)46)37(51)36(50)30(22-45)53-38)26-14-19-40(5)27(26)15-20-42(7)32(40)12-13-33-41(6)18-9-17-39(3,4)31(41)16-21-43(33,42)8/h24,26-38,45,47-51H,9-23H2,1-8H3,(H,44,46)/t24-,26-,27+,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,40+,41+,42-,43-/m1/s1/f/h44H", + "name": "Bacteriohopanetetrol-acetylglucosamine", + "names": [ + "Bacteriohopanetetrol-acetylglucosamine" + ] + }, + { + "compound_id": "C21121", + "inchi": "InChI=1/C41H73NO8/c1-23(9-10-26(44)33(46)27(45)22-49-36-32(42)35(48)34(47)28(21-43)50-36)24-13-18-38(4)25(24)14-19-40(6)30(38)11-12-31-39(5)17-8-16-37(2,3)29(39)15-20-41(31,40)7/h23-36,43-48H,8-22,42H2,1-7H3/t23-,24-,25+,26-,27+,28-,29+,30-,31-,32-,33-,34-,35-,36-,38+,39+,40-,41-/m1/s1", + "name": "Bacteriohopanetetrol-glucosamine", + "names": [ + "Bacteriohopanetetrol-glucosamine" + ] + }, + { + "compound_id": "C21122", + "inchi": "InChI=1/C41H73NO8/c1-23(9-10-26(44)32(46)27(45)21-50-35-31(42)33(47)34(48)41(35,49)22-43)24-13-18-37(4)25(24)14-19-39(6)29(37)11-12-30-38(5)17-8-16-36(2,3)28(38)15-20-40(30,39)7/h23-35,43-49H,8-22,42H2,1-7H3/t23-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,37+,38+,39-,40-,41-/m1/s1", + "name": "Bacteriohopanetetrol cyclitol ether", + "names": [ + "Bacteriohopanetetrol cyclitol ether" + ] + }, + { + "compound_id": "C21123", + "inchi": "InChI=1/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1", + "name": "Aminobacteriohopanetriol", + "names": [ + "Aminobacteriohopanetriol" + ] + }, + { + "compound_id": "C21124", + "inchi": "InChI=1/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/f/h14H", + "name": "IPA imine", + "names": [ + "IPA imine" + ] + }, + { + "compound_id": "C80001", + "inchi": "InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/p+1/t6-/m0/s1", + "name": "1-Methyl-L-histidine", + "names": [ + "1-Methyl-L-histidine" + ] + }, + { + "compound_id": "C80002", + "inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H", + "name": "Monochlorobenzene", + "names": [ + "Monochlorobenzene" + ] + }, + { + "compound_id": "C80003", + "inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", + "name": "1,2-Dichlorobenzene", + "names": [ + "1,2-Dichlorobenzene" + ] + }, + { + "compound_id": "C80004", + "inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H", + "name": "1,3-Dichlorobenzene", + "names": [ + "1,3-Dichlorobenzene" + ] + }, + { + "compound_id": "C80005", + "inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H", + "name": "1,4-Dichlorobenzene", + "names": [ + "1,4-Dichlorobenzene" + ] + }, + { + "compound_id": "C80006", + "inchi": "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H", + "name": "1,2,3-Trichlorobenzene", + "names": [ + "1,2,3-Trichlorobenzene" + ] + }, + { + "compound_id": "C80007", + "inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H", + "name": "1,2,4-Trichlorobenzene", + "names": [ + "1,2,4-Trichlorobenzene" + ] + }, + { + "compound_id": "C80008", + "inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H", + "name": "1,3,5-Trichlorobenzene", + "names": [ + "1,3,5-Trichlorobenzene" + ] + }, + { + "compound_id": "C80009", + "inchi": "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H", + "name": "1,2,3,4-Tetrachlorobenzene", + "names": [ + "1,2,3,4-Tetrachlorobenzene" + ] + }, + { + "compound_id": "C80010", + "inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H", + "name": "1,2,3,5-Tetrachlorobenzene", + "names": [ + "1,2,3,5-Tetrachlorobenzene" + ] + }, + { + "compound_id": "C80011", + "inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H", + "name": "1,2,4,5-Tetrachlorobenzene", + "names": [ + "1,2,4,5-Tetrachlorobenzene" + ] + }, + { + "compound_id": "C80012", + "inchi": "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H", + "name": "Pentachlorobenzene", + "names": [ + "Pentachlorobenzene" + ] + }, + { + "compound_id": "C80013", + "inchi": "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9", + "name": "Hexachlorobenzene", + "names": [ + "Hexachlorobenzene" + ] + }, + { + "compound_id": "C80014", + "inchi": "InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", + "name": "3-Chlorobenzoate", + "names": [ + "3-Chlorobenzoate" + ] + }, + { + "compound_id": "C80015", + "inchi": "InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)", + "name": "2,3-Dichlorobenzoate", + "names": [ + "2,3-Dichlorobenzoate" + ] + }, + { + "compound_id": "C80016", + "inchi": "InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)", + "name": "2,5-Dichlorobenzoate", + "names": [ + "2,5-Dichlorobenzoate" + ] + }, + { + "compound_id": "C80017", + "inchi": "InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)", + "name": "2,6-Dichlorobenzoate", + "names": [ + "2,6-Dichlorobenzoate" + ] + }, + { + "compound_id": "C80018", + "inchi": "InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)", + "name": "3,4-Dichlorobenzoate", + "names": [ + "3,4-Dichlorobenzoate" + ] + }, + { + "compound_id": "C80019", + "inchi": "InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)", + "name": "3,5-Dichlorobenzoate", + "names": [ + "3,5-Dichlorobenzoate" + ] + }, + { + "compound_id": "C80020", + "inchi": "InChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)", + "name": "2,3,5-Trichlorobenzoate", + "names": [ + "2,3,5-Trichlorobenzoate" + ] + }, + { + "compound_id": "C80021", + "inchi": "InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)", + "name": "3,4,5-Trichlorobenzoate", + "names": [ + "3,4,5-Trichlorobenzoate" + ] + }, + { + "compound_id": "C80022", + "inchi": "InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", + "name": "2-Bromobenzoate", + "names": [ + "2-Bromobenzoate" + ] + }, + { + "compound_id": "C80023", + "inchi": "InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", + "name": "3-Bromobenzoate", + "names": [ + "3-Bromobenzoate" + ] + }, + { + "compound_id": "C80024", + "inchi": "InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", + "name": "4-Bromobenzoate", + "names": [ + "4-Bromobenzoate" + ] + }, + { + "compound_id": "C80025", + "inchi": "InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)", + "name": "2-Iodobenzoate", + "names": [ + "2-Iodobenzoate" + ] + }, + { + "compound_id": "C80026", + "inchi": "InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)", + "name": "3-Iodobenzoate", + "names": [ + "3-Iodobenzoate" + ] + }, + { + "compound_id": "C80027", + "inchi": "InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)", + "name": "4-Iodobenzoate", + "names": [ + "4-Iodobenzoate" + ] + }, + { + "compound_id": "C80028", + "inchi": "InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)", + "name": "2-Amino-5-chlorobenzoate", + "names": [ + "2-Amino-5-chlorobenzoate" + ] + }, + { + "compound_id": "C80029", + "inchi": "InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)", + "name": "2-Hydroxy-5-chlorobenzoate", + "names": [ + "2-Hydroxy-5-chlorobenzoate" + ] + }, + { + "compound_id": "C80030", + "inchi": "InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)", + "name": "2-Methyl-5-chlorobenzoate", + "names": [ + "2-Methyl-5-chlorobenzoate" + ] + }, + { + "compound_id": "C80031", + "inchi": "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H", + "name": "2,3-Dichlorophenol", + "names": [ + "2,3-Dichlorophenol" + ] + }, + { + "compound_id": "C80032", + "inchi": "InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H", + "name": "3,5-Dichlorophenol", + "names": [ + "3,5-Dichlorophenol" + ] + }, + { + "compound_id": "C80033", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H", + "name": "2,3,4-Trichlorophenol", + "names": [ + "2,3,4-Trichlorophenol" + ] + }, + { + "compound_id": "C80034", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H", + "name": "2,4,5-Trichlorophenol", + "names": [ + "2,4,5-Trichlorophenol" + ] + }, + { + "compound_id": "C80035", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H", + "name": "2,4,6-Trichlorophenol", + "names": [ + "2,4,6-Trichlorophenol" + ] + }, + { + "compound_id": "C80036", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H", + "name": "2,3,5-Trichlorophenol", + "names": [ + "2,3,5-Trichlorophenol" + ] + }, + { + "compound_id": "C80037", + "inchi": "InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H", + "name": "2,3,6-Trichlorophenol", + "names": [ + "2,3,6-Trichlorophenol" + ] + }, + { + "compound_id": "C80038", + "inchi": "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H", + "name": "3,4,5-Trichlorophenol", + "names": [ + "3,4,5-Trichlorophenol" + ] + }, + { + "compound_id": "C80039", + "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H", + "name": "2,3,4,5-Tetrachlorophenol", + "names": [ + "2,3,4,5-Tetrachlorophenol" + ] + }, + { + "compound_id": "C80040", + "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H", + "name": "2,3,4,6-Tetrachlorophenol", + "names": [ + "2,3,4,6-Tetrachlorophenol" + ] + }, + { + "compound_id": "C80041", + "inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H", + "name": "2,3,5,6-Tetrachlorophenol", + "names": [ + "2,3,5,6-Tetrachlorophenol" + ] + }, + { + "compound_id": "C80042", + "inchi": "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H", + "name": "Pentachlorophenol", + "names": [ + "Pentachlorophenol" + ] + }, + { + "compound_id": "C80043", + "inchi": "InChI=1S/CH3Cl/c1-2/h1H3", + "name": "Chloromethane", + "names": [ + "Chloromethane" + ] + }, + { + "compound_id": "C80045", + "inchi": "InChI=1S/C2H6/c1-2/h1-2H3", + "name": "Ethane", + "names": [ + "Ethane" + ] + }, + { + "compound_id": "C80046", + "inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H", + "name": "1,1,2,2-Tetrachloroethane", + "names": [ + "1,1,2,2-Tetrachloroethane" + ] + }, + { + "compound_id": "C80047", + "inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3", + "name": "Propane", + "names": [ + "Propane" + ] + }, + { + "compound_id": "C80048", + "inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3", + "name": "1-Chloropropane", + "names": [ + "1-Chloropropane" + ] + }, + { + "compound_id": "C80049", + "inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2", + "name": "1,3-Dichloropropane", + "names": [ + "1,3-Dichloropropane" + ] + }, + { + "compound_id": "C80050", + "inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3", + "name": "Butane", + "names": [ + "Butane" + ] + }, + { + "compound_id": "C80051", + "inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3", + "name": "1-Chlorobutane", + "names": [ + "1-Chlorobutane" + ] + }, + { + "compound_id": "C80052", + "inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3", + "name": "2-Chlorobutane", + "names": [ + "2-Chlorobutane" + ] + }, + { + "compound_id": "C80053", + "inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3", + "name": "Pentane", + "names": [ + "Pentane" + ] + }, + { + "compound_id": "C80054", + "inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3", + "name": "1-Chloropentane", + "names": [ + "1-Chloropentane" + ] + }, + { + "compound_id": "C80055", + "inchi": "InChI=1S/C3H10NO/c1-4(2,3)5/h5H,1-3H3/q+1", + "name": "CH3NHp", + "names": [ + "CH3NHp" + ] + }, + { + "compound_id": "C80056", + "inchi": "InChI=1/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)", + "name": "S-Aminomethyldihydro-lipoate", + "names": [ + "S-Aminomethyldihydro-lipoate" + ] + }, + { + "compound_id": "C80057", + "inchi": "InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/p+1/fC22H29N6O14P2/h34,36H,23H2/q+1", + "name": "ap-NAD", + "names": [ + "ap-NAD" + ] + }, + { + "compound_id": "C80058", + "inchi": "InChI=1S/C22H30N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2,4-5,8-9,12-13,15-18,21-22,30-33H,3,6-7H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/f/h34,36H,23H2", + "name": "ap-NADH", + "names": [ + "ap-NADH" + ] + }, + { + "compound_id": "C80059", + "inchi": null, + "name": "FADenz(ox)", + "names": [ + "FADenz(ox)" + ] + }, + { + "compound_id": "C80060", + "inchi": null, + "name": "FADenz(red)", + "names": [ + "FADenz(red)" + ] + }, + { + "compound_id": "C80061", + "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", + "name": "Isobutanal", + "names": [ + "Isobutanal" + ] + }, + { + "compound_id": "C80062", + "inchi": "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3-4,6-9H,1-2H2", + "name": "3-Ketoarabinitol", + "names": [ + "3-Ketoarabinitol" + ] + }, + { + "compound_id": "C80063", + "inchi": "InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3-4,6-7H,1-2H2,(H2,9,10,11)(H2,12,13,14)", + "name": "3-Ketoarabinitol 1,5-bisphosphate", + "names": [ + "3-Ketoarabinitol 1,5-bisphosphate" + ] + }, + { + "compound_id": "C80064", + "inchi": "InChI=1S/C6H10O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3,7-9,13H,1-2H2,(H,11,12)", + "name": "2-Carboxy-3-ketoarabinitol", + "names": [ + "2-Carboxy-3-ketoarabinitol" + ] + }, + { + "compound_id": "C80065", + "inchi": "InChI=1S/C6H12O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3,7,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)", + "name": "2-Carboxy-3-ketoarabinitol 1,5-bisphosphate", + "names": [ + "2-Carboxy-3-ketoarabinitol 1,5-bisphosphate" + ] + }, + { + "compound_id": "C80066", + "inchi": "InChI=1S/C3H7O7P/c4-1-2(5)3(6)10-11(7,8)9/h2,4-5H,1H2,(H2,7,8,9)", + "name": "D-Glycerate 1-phosphate", + "names": [ + "D-Glycerate 1-phosphate" + ] + }, + { + "compound_id": "C80067", + "inchi": null, + "name": "reduced Methyl viologen", + "names": [ + "reduced Methyl viologen" + ] + }, + { + "compound_id": "C80068", + "inchi": "InChI=1S/C8H16O9/c9-1-2(10)3(11)4(12)5(13)6(14)7(15)8(16)17/h2-7,9-15H,1H2,(H,16,17)", + "name": "n-Octonic acid", + "names": [ + "n-Octonic acid" + ] + }, + { + "compound_id": "C80069", + "inchi": "InChI=1S/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)", + "name": "S-aminomethyldihydro--lipoate", + "names": [ + "S-aminomethyldihydro--lipoate" + ] + }, + { + "compound_id": "C90010", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1", + "name": "(5S,6S)-di-HETE", + "names": [ + "(5S,6S)-di-HETE" + ] + }, + { + "compound_id": "C90029", + "inchi": "InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35-,36+,40+,41+,42-,46+/m0/s1", + "name": "(S)-3-hydroxyhexacosanoyl-CoA", + "names": [ + "(S)-3-hydroxyhexacosanoyl-CoA" + ] + }, + { + "compound_id": "C90040", + "inchi": "InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1", + "name": "1,2-dioleoyl-sn-glycero-3-phosphocholine", + "names": [ + "1,2-dioleoyl-sn-glycero-3-phosphocholine" + ] + }, + { + "compound_id": "C90041", + "inchi": "InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-", + "name": "1,2-dioleoylglycerol", + "names": [ + "1,2-dioleoylglycerol" + ] + }, + { + "compound_id": "C90073", + "inchi": "InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1", + "name": "2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone", + "names": [ + "2,5-diamino-6-(5-phosphono)ribitylamino-4(3H)-pyrimidinone" + ] + }, + { + "compound_id": "C90091", + "inchi": "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3", + "name": "2-hydroxyhexadecanal", + "names": [ + "2-hydroxyhexadecanal" + ] + }, + { + "compound_id": "C90092", + "inchi": "InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/p-2", + "name": "2-isopropylmalate(2-)", + "names": [ + "2-isopropylmalate(2-)" + ] + }, + { + "compound_id": "C90094", + "inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3", + "name": "2-methylbutan-1-ol", + "names": [ + "2-methylbutan-1-ol" + ] + }, + { + "compound_id": "C90096", + "inchi": "InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3", + "name": "2-methylbutyl acetate", + "names": [ + "2-methylbutyl acetate" + ] + }, + { + "compound_id": "C90126", + "inchi": "InChI=1S/C8H14O5/c1-4(2)5(7(10)11)6(9)8(12)13-3/h4-6,9H,1-3H3,(H,10,11)/p-1", + "name": "3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate", + "names": [ + "3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate" + ] + }, + { + "compound_id": "C90131", + "inchi": "InChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t31?,32-,36-,37-,38+,42-/m1/s1", + "name": "3-hydroxydocosanoyl-CoA", + "names": [ + "3-hydroxydocosanoyl-CoA" + ] + }, + { + "compound_id": "C90132", + "inchi": "InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29?,30-,34-,35-,36+,40-/m1/s1", + "name": "3-hydroxyicosanoyl-CoA", + "names": [ + "3-hydroxyicosanoyl-CoA" + ] + }, + { + "compound_id": "C90134", + "inchi": "InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33?,34-,38-,39-,40+,44-/m1/s1", + "name": "3-hydroxytetracosanoyl-CoA", + "names": [ + "3-hydroxytetracosanoyl-CoA" + ] + }, + { + "compound_id": "C90138", + "inchi": "InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-30,32,36-38,42,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t32-,36-,37-,38+,42-/m1/s1", + "name": "3-oxodocosanoyl-CoA", + "names": [ + "3-oxodocosanoyl-CoA" + ] + }, + { + "compound_id": "C90139", + "inchi": "InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t36-,40-,41-,42+,46-/m1/s1", + "name": "3-oxohexacosanoyl-CoA", + "names": [ + "3-oxohexacosanoyl-CoA" + ] + }, + { + "compound_id": "C90140", + "inchi": "InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1", + "name": "3-oxoicosanoyl-CoA", + "names": [ + "3-oxoicosanoyl-CoA" + ] + }, + { + "compound_id": "C90144", + "inchi": "InChI=1S/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-32,34,38-40,44,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t34-,38-,39-,40+,44-/m1/s1", + "name": "3-oxotetracosanoyl-CoA", + "names": [ + "3-oxotetracosanoyl-CoA" + ] + }, + { + "compound_id": "C90151", + "inchi": "InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m0/s1", + "name": "4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate", + "names": [ + "4,5-bis(diphospho)-1D-myo-inositol tetrakisphosphate" + ] + }, + { + "compound_id": "C90162", + "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m0/s1", + "name": "4-diphospho-1D-myo-inositol pentakisphosphate", + "names": [ + "4-diphospho-1D-myo-inositol pentakisphosphate" + ] + }, + { + "compound_id": "C90181", + "inchi": "InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m1/s1", + "name": "5,6-bis(diphospho)-1D-myo-inositol tetrakisphosphate", + "names": [ + "5,6-bis(diphospho)-1D-myo-inositol tetrakisphosphate" + ] + }, + { + "compound_id": "C90205", + "inchi": "InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m1/s1", + "name": "6-diphospho-1D-myo-inositol pentakisphosphate", + "names": [ + "6-diphospho-1D-myo-inositol pentakisphosphate" + ] + }, + { + "compound_id": "C90273", + "inchi": "InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)/p-1", + "name": "cerotate", + "names": [ + "cerotate" + ] + }, + { + "compound_id": "C90316", + "inchi": "InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1", + "name": "dCDP", + "names": [ + "dCDP" + ] + }, + { + "compound_id": "C90323", + "inchi": "InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)", + "name": "decaprenyl diphosphate", + "names": [ + "decaprenyl diphosphate" + ] + }, + { + "compound_id": "C90325", + "inchi": "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-,19-/m1/s1", + "name": "Delta(6)-trans,Delta(8)-cis-leukotriene B4", + "names": [ + "Delta(6)-trans,Delta(8)-cis-leukotriene B4" + ] + }, + { + "compound_id": "C90335", + "inchi": "InChI=1S/C110H180O7P2/c1-89(2)45-24-46-90(3)47-25-48-91(4)49-26-50-92(5)51-27-52-93(6)53-28-54-94(7)55-29-56-95(8)57-30-58-96(9)59-31-60-97(10)61-32-62-98(11)63-33-64-99(12)65-34-66-100(13)67-35-68-101(14)69-36-70-102(15)71-37-72-103(16)73-38-74-104(17)75-39-76-105(18)77-40-78-106(19)79-41-80-107(20)81-42-82-108(21)83-43-84-109(22)85-44-86-110(23)87-88-116-119(114,115)117-118(111,112)113/h45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87H,24-44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88H2,1-23H3,(H,114,115)(H2,111,112,113)", + "name": "docosaprenyl diphosphate", + "names": [ + "docosaprenyl diphosphate" + ] + }, + { + "compound_id": "C90336", + "inchi": "InChI=1S/C60H100O7P2/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-66-69(64,65)67-68(61,62)63/h25,27,29,31,33,35,37,39,41,43,45,47H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,64,65)(H2,61,62,63)", + "name": "dodecaprenyl diphosphate", + "names": [ + "dodecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90347", + "inchi": "InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,27,35,37-39,41-43H,4,8-14,17-26,28-34H2,1-3,5-7H3/b16-15-/t37-,38+,39+,41-,42+,43+,45+,46-/m1/s1", + "name": "episteryl oleate", + "names": [ + "episteryl oleate" + ] + }, + { + "compound_id": "C90348", + "inchi": "InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h13-14,25,33,35-37,39-41H,4,8-12,15-24,26-32H2,1-3,5-7H3/b14-13-/t35-,36+,37+,39-,40+,41+,43+,44-/m1/s1", + "name": "episteryl palmitoleate", + "names": [ + "episteryl palmitoleate" + ] + }, + { + "compound_id": "C90350", + "inchi": "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1", + "name": "ergosta-5,7,24(28)-trien-3beta-ol", + "names": [ + "ergosta-5,7,24(28)-trien-3beta-ol" + ] + }, + { + "compound_id": "C90352", + "inchi": "InChI=1S/C34H54O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-10,19-21,23,25-32,35-38H,11-18H2,1-6H3/b8-7+/t20-,21+,23-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34+/m0/s1", + "name": "ergosterol 3-beta-D-glucoside", + "names": [ + "ergosterol 3-beta-D-glucoside" + ] + }, + { + "compound_id": "C90354", + "inchi": "InChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,24-27,35-37,39,41-43H,8-14,17-23,28-34H2,1-7H3/b16-15-,25-24+/t36-,37+,39-,41+,42-,43-,45-,46+/m0/s1", + "name": "ergosteryl oleate", + "names": [ + "ergosteryl oleate" + ] + }, + { + "compound_id": "C90366", + "inchi": "InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,35,37-39,41-42H,4,8-14,17-34H2,1-3,5-7H3/b16-15-/t37-,38+,39+,41-,42+,45+,46-/m1/s1", + "name": "fecosteryl oleate", + "names": [ + "fecosteryl oleate" + ] + }, + { + "compound_id": "C90388", + "inchi": "InChI=1S/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/b31-15+,32-17+,33-19+/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-/m1/s1", + "name": "glycan G00006", + "names": [ + "glycan G00006" + ] + }, + { + "compound_id": "C90389", + "inchi": "InChI=1S/C113H192N2O77P2/c1-37(2)13-9-14-38(3)15-10-16-39(4)17-11-18-40(5)19-12-20-41(6)21-22-165-193(159,160)192-194(161,162)191-101-59(115-43(8)129)71(141)89(53(32-125)175-101)180-100-58(114-42(7)128)70(140)90(52(31-124)174-100)181-110-88(158)96(69(139)57(179-110)36-164-103-85(155)95(184-107-84(154)79(149)92(55(34-127)177-107)183-105-81(151)73(143)61(131)45(24-117)167-105)68(138)56(178-103)35-163-102-83(153)78(148)91(54(33-126)176-102)182-104-80(150)72(142)60(130)44(23-116)166-104)187-112-99(77(147)65(135)48(27-120)172-112)190-113-98(76(146)64(134)49(28-121)173-113)189-109-86(156)93(66(136)50(29-122)170-109)185-108-87(157)94(67(137)51(30-123)169-108)186-111-97(75(145)63(133)47(26-119)171-111)188-106-82(152)74(144)62(132)46(25-118)168-106/h13,15,17,19,41,44-113,116-127,130-158H,9-12,14,16,18,20-36H2,1-8H3,(H,114,128)(H,115,129)(H,159,160)(H,161,162)/b38-15+,39-17+,40-19+/t41?,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72+,73+,74+,75+,76+,77+,78-,79-,80+,81+,82-,83+,84+,85+,86+,87-,88+,89-,90-,91-,92-,93+,94+,95+,96+,97-,98+,99+,100+,101-,102+,103+,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-/m1/s1", + "name": "glycan G00008", + "names": [ + "glycan G00008" + ] + }, + { + "compound_id": "C90390", + "inchi": "InChI=1S/C77H132N2O47P2/c1-31(2)13-9-14-32(3)15-10-16-33(4)17-11-18-34(5)19-12-20-35(6)21-22-110-127(105,106)126-128(107,108)125-71-47(79-37(8)88)55(96)64(44(29-86)117-71)119-70-46(78-36(7)87)54(95)65(43(28-85)116-70)120-75-63(104)67(53(94)45(118-75)30-109-72-62(103)66(52(93)42(27-84)111-72)121-73-60(101)56(97)48(89)38(23-80)112-73)122-76-69(59(100)51(92)40(25-82)114-76)124-77-68(58(99)50(91)41(26-83)115-77)123-74-61(102)57(98)49(90)39(24-81)113-74/h13,15,17,19,35,38-77,80-86,89-104H,9-12,14,16,18,20-30H2,1-8H3,(H,78,87)(H,79,88)(H,105,106)(H,107,108)/b32-15+,33-17+,34-19+/t35?,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68+,69+,70+,71-,72+,73-,74-,75+,76-,77-/m1/s1", + "name": "glycan G10595", + "names": [ + "glycan G10595" + ] + }, + { + "compound_id": "C90391", + "inchi": "InChI=1S/C107H182N2O72P2/c1-36(2)13-9-14-37(3)15-10-16-38(4)17-11-18-39(5)19-12-20-40(6)21-22-156-182(150,151)181-183(152,153)180-96-57(109-42(8)122)68(133)85(51(31-118)165-96)170-95-56(108-41(7)121)67(132)86(50(30-117)164-95)171-105-84(149)92(177-106-94(73(138)62(127)46(26-113)162-106)179-107-93(72(137)61(126)47(27-114)163-107)178-104-83(148)90(64(129)49(29-116)161-104)176-103-82(147)89(63(128)48(28-115)160-103)174-101-78(143)71(136)60(125)45(25-112)159-101)66(131)55(169-105)35-155-98-81(146)91(175-102-80(145)75(140)88(53(33-120)167-102)173-100-77(142)70(135)59(124)44(24-111)158-100)65(130)54(168-98)34-154-97-79(144)74(139)87(52(32-119)166-97)172-99-76(141)69(134)58(123)43(23-110)157-99/h13,15,17,19,40,43-107,110-120,123-149H,9-12,14,16,18,20-35H2,1-8H3,(H,108,121)(H,109,122)(H,150,151)(H,152,153)/b37-15+,38-17+,39-19+/t40?,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73+,74-,75-,76+,77+,78-,79+,80+,81+,82-,83+,84+,85-,86-,87-,88-,89+,90+,91+,92+,93+,94+,95+,96-,97+,98+,99-,100-,101-,102-,103-,104-,105+,106-,107-/m1/s1", + "name": "glycan G10599", + "names": [ + "glycan G10599" + ] + }, + { + "compound_id": "C90411", + "inchi": "InChI=1S/C105H172O7P2/c1-85(2)43-23-44-86(3)45-24-46-87(4)47-25-48-88(5)49-26-50-89(6)51-27-52-90(7)53-28-54-91(8)55-29-56-92(9)57-30-58-93(10)59-31-60-94(11)61-32-62-95(12)63-33-64-96(13)65-34-66-97(14)67-35-68-98(15)69-36-70-99(16)71-37-72-100(17)73-38-74-101(18)75-39-76-102(19)77-40-78-103(20)79-41-80-104(21)81-42-82-105(22)83-84-111-114(109,110)112-113(106,107)108/h43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83H,23-42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84H2,1-22H3,(H,109,110)(H2,106,107,108)", + "name": "henicosaprenyl diphosphate", + "names": [ + "henicosaprenyl diphosphate" + ] + }, + { + "compound_id": "C90412", + "inchi": "InChI=1S/C85H140O7P2/c1-69(2)35-19-36-70(3)37-20-38-71(4)39-21-40-72(5)41-22-42-73(6)43-23-44-74(7)45-24-46-75(8)47-25-48-76(9)49-26-50-77(10)51-27-52-78(11)53-28-54-79(12)55-29-56-80(13)57-30-58-81(14)59-31-60-82(15)61-32-62-83(16)63-33-64-84(17)65-34-66-85(18)67-68-91-94(89,90)92-93(86,87)88/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67H,19-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68H2,1-18H3,(H,89,90)(H2,86,87,88)", + "name": "heptadecaprenyl diphosphate", + "names": [ + "heptadecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90413", + "inchi": "InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)", + "name": "heptaprenyl diphosphate", + "names": [ + "heptaprenyl diphosphate" + ] + }, + { + "compound_id": "C90414", + "inchi": "InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1", + "name": "hexacosanoyl-CoA", + "names": [ + "hexacosanoyl-CoA" + ] + }, + { + "compound_id": "C90418", + "inchi": "InChI=1S/C80H132O7P2/c1-65(2)33-18-34-66(3)35-19-36-67(4)37-20-38-68(5)39-21-40-69(6)41-22-42-70(7)43-23-44-71(8)45-24-46-72(9)47-25-48-73(10)49-26-50-74(11)51-27-52-75(12)53-28-54-76(13)55-29-56-77(14)57-30-58-78(15)59-31-60-79(16)61-32-62-80(17)63-64-86-89(84,85)87-88(81,82)83/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63H,18-32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64H2,1-17H3,(H,84,85)(H2,81,82,83)", + "name": "hexadecaprenyl diphosphate", + "names": [ + "hexadecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90419", + "inchi": "InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)", + "name": "hexaprenyl diphosphate", + "names": [ + "hexaprenyl diphosphate" + ] + }, + { + "compound_id": "C90427", + "inchi": "InChI=1S/C100H164O7P2/c1-81(2)41-22-42-82(3)43-23-44-83(4)45-24-46-84(5)47-25-48-85(6)49-26-50-86(7)51-27-52-87(8)53-28-54-88(9)55-29-56-89(10)57-30-58-90(11)59-31-60-91(12)61-32-62-92(13)63-33-64-93(14)65-34-66-94(15)67-35-68-95(16)69-36-70-96(17)71-37-72-97(18)73-38-74-98(19)75-39-76-99(20)77-40-78-100(21)79-80-106-109(104,105)107-108(101,102)103/h41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79H,22-40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80H2,1-21H3,(H,104,105)(H2,101,102,103)", + "name": "icosaprenyl diphosphate", + "names": [ + "icosaprenyl diphosphate" + ] + }, + { + "compound_id": "C90437", + "inchi": "InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1", + "name": "inositol-P-ceramide B", + "names": [ + "inositol-P-ceramide B" + ] + }, + { + "compound_id": "C90438", + "inchi": "InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1", + "name": "inositol-P-ceramide C", + "names": [ + "inositol-P-ceramide C" + ] + }, + { + "compound_id": "C90439", + "inchi": "InChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41-,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1", + "name": "inositol-P-ceramide D", + "names": [ + "inositol-P-ceramide D" + ] + }, + { + "compound_id": "C90444", + "inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3", + "name": "isobutyl acetate", + "names": [ + "isobutyl acetate" + ] + }, + { + "compound_id": "C90445", + "inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3", + "name": "isobutyraldehyde", + "names": [ + "isobutyraldehyde" + ] + }, + { + "compound_id": "C90497", + "inchi": "InChI=1S/C48H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-44(49)50-43-33-34-46(7)40-32-36-47(8)39(38(4)27-25-26-37(2)3)31-35-48(47,9)41(40)29-30-42(46)45(43,5)6/h17-18,26,38-39,42-43H,10-16,19-25,27-36H2,1-9H3/b18-17-/t38-,39-,42+,43+,46-,47-,48+/m1/s1", + "name": "lanosteryl oleate", + "names": [ + "lanosteryl oleate" + ] + }, + { + "compound_id": "C90498", + "inchi": "InChI=1S/C46H78O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-42(47)48-41-31-32-44(7)38-30-34-45(8)37(36(4)25-23-24-35(2)3)29-33-46(45,9)39(38)27-28-40(44)43(41,5)6/h15-16,24,36-37,40-41H,10-14,17-23,25-34H2,1-9H3/b16-15-/t36-,37-,40+,41+,44-,45-,46+/m1/s1", + "name": "lanosteryl palmitoleate", + "names": [ + "lanosteryl palmitoleate" + ] + }, + { + "compound_id": "C90534", + "inchi": "InChI=1S/C20H20N2O8/c23-9-21-15(19(27)28)7-11-1-3-17(25)13(5-11)14-6-12(2-4-18(14)26)8-16(20(29)30)22-10-24/h1-6,9-10,15-16,25-26H,7-8H2,(H,21,23)(H,22,24)(H,27,28)(H,29,30)", + "name": "N,N'-diformyldityrosine", + "names": [ + "N,N'-diformyldityrosine" + ] + }, + { + "compound_id": "C90535", + "inchi": "InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40?,41-/m0/s1", + "name": "N-(24-hydroxytetracosanyl)phytosphingosine", + "names": [ + "N-(24-hydroxytetracosanyl)phytosphingosine" + ] + }, + { + "compound_id": "C90536", + "inchi": "InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41?/m0/s1", + "name": "N-(24-hydroxytetracosanyl)sphinganine", + "names": [ + "N-(24-hydroxytetracosanyl)sphinganine" + ] + }, + { + "compound_id": "C90537", + "inchi": "InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42?,43-/m0/s1", + "name": "N-(26-hydroxyhexacosanyl)phytosphingosine", + "names": [ + "N-(26-hydroxyhexacosanyl)phytosphingosine" + ] + }, + { + "compound_id": "C90538", + "inchi": "InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h41-43,46-48H,3-40H2,1-2H3,(H,45,49)/t41-,42+,43?/m0/s1", + "name": "N-(26-hydroxyhexacosanyl)sphinganine", + "names": [ + "N-(26-hydroxyhexacosanyl)sphinganine" + ] + }, + { + "compound_id": "C90548", + "inchi": "InChI=1S/C10H11NO4/c12-6-11-9(10(14)15)5-7-1-3-8(13)4-2-7/h1-4,6,9,13H,5H2,(H,11,12)(H,14,15)/t9-/m0/s1", + "name": "N-formyl-L-tyrosine", + "names": [ + "N-formyl-L-tyrosine" + ] + }, + { + "compound_id": "C90549", + "inchi": "InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1", + "name": "N-hexacosanylphytosphingosine", + "names": [ + "N-hexacosanylphytosphingosine" + ] + }, + { + "compound_id": "C90550", + "inchi": "InChI=1S/C44H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h42-43,46-47H,3-41H2,1-2H3,(H,45,48)/t42-,43+/m0/s1", + "name": "N-hexacosanylsphinganine", + "names": [ + "N-hexacosanylsphinganine" + ] + }, + { + "compound_id": "C90552", + "inchi": "InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1", + "name": "N-tetracosanylphytosphingosine", + "names": [ + "N-tetracosanylphytosphingosine" + ] + }, + { + "compound_id": "C90553", + "inchi": "InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1", + "name": "N-tetracosanylsphinganine", + "names": [ + "N-tetracosanylsphinganine" + ] + }, + { + "compound_id": "C90563", + "inchi": "InChI=1S/C95H156O7P2/c1-77(2)39-21-40-78(3)41-22-42-79(4)43-23-44-80(5)45-24-46-81(6)47-25-48-82(7)49-26-50-83(8)51-27-52-84(9)53-28-54-85(10)55-29-56-86(11)57-30-58-87(12)59-31-60-88(13)61-32-62-89(14)63-33-64-90(15)65-34-66-91(16)67-35-68-92(17)69-36-70-93(18)71-37-72-94(19)73-38-74-95(20)75-76-101-104(99,100)102-103(96,97)98/h39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75H,21-38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76H2,1-20H3,(H,99,100)(H2,96,97,98)", + "name": "nonadecaprenyl diphosphate", + "names": [ + "nonadecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90565", + "inchi": "InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)", + "name": "nonaprenyl diphosphate", + "names": [ + "nonaprenyl diphosphate" + ] + }, + { + "compound_id": "C90575", + "inchi": "InChI=1S/C90H148O7P2/c1-73(2)37-20-38-74(3)39-21-40-75(4)41-22-42-76(5)43-23-44-77(6)45-24-46-78(7)47-25-48-79(8)49-26-50-80(9)51-27-52-81(10)53-28-54-82(11)55-29-56-83(12)57-30-58-84(13)59-31-60-85(14)61-32-62-86(15)63-33-64-87(16)65-34-66-88(17)67-35-68-89(18)69-36-70-90(19)71-72-96-99(94,95)97-98(91,92)93/h37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71H,20-36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72H2,1-19H3,(H,94,95)(H2,91,92,93)", + "name": "octadecaprenyl diphosphate", + "names": [ + "octadecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90579", + "inchi": "InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)", + "name": "octaprenyl diphosphate", + "names": [ + "octaprenyl diphosphate" + ] + }, + { + "compound_id": "C90590", + "inchi": "InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1", + "name": "P1-(5'-adenosyl),P4-(5'-guanosyl) tetraphosphate", + "names": [ + "P1-(5'-adenosyl),P4-(5'-guanosyl) tetraphosphate" + ] + }, + { + "compound_id": "C90598", + "inchi": "InChI=1S/C75H124O7P2/c1-61(2)31-17-32-62(3)33-18-34-63(4)35-19-36-64(5)37-20-38-65(6)39-21-40-66(7)41-22-42-67(8)43-23-44-68(9)45-24-46-69(10)47-25-48-70(11)49-26-50-71(12)51-27-52-72(13)53-28-54-73(14)55-29-56-74(15)57-30-58-75(16)59-60-81-84(79,80)82-83(76,77)78/h31,33,35,37,39,41,43,45,47,49,51,53,55,57,59H,17-30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60H2,1-16H3,(H,79,80)(H2,76,77,78)", + "name": "pentadecaprenyl diphosphate", + "names": [ + "pentadecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90599", + "inchi": "InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)", + "name": "pentaprenyl diphosphate", + "names": [ + "pentaprenyl diphosphate" + ] + }, + { + "compound_id": "C90616", + "inchi": "InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1", + "name": "phytosphingosine 1-phosphate", + "names": [ + "phytosphingosine 1-phosphate" + ] + }, + { + "compound_id": "C90640", + "inchi": "InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)", + "name": "S(8)-aminomethyldihydrolipoamide", + "names": [ + "S(8)-aminomethyldihydrolipoamide" + ] + }, + { + "compound_id": "C90678", + "inchi": "InChI=1S/C70H116O7P2/c1-57(2)29-16-30-58(3)31-17-32-59(4)33-18-34-60(5)35-19-36-61(6)37-20-38-62(7)39-21-40-63(8)41-22-42-64(9)43-23-44-65(10)45-24-46-66(11)47-25-48-67(12)49-26-50-68(13)51-27-52-69(14)53-28-54-70(15)55-56-76-79(74,75)77-78(71,72)73/h29,31,33,35,37,39,41,43,45,47,49,51,53,55H,16-28,30,32,34,36,38,40,42,44,46,48,50,52,54,56H2,1-15H3,(H,74,75)(H2,71,72,73)", + "name": "tetradecaprenyl diphosphate", + "names": [ + "tetradecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90694", + "inchi": "InChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b27-26+/t36-,40-,41-,42+,46-/m1/s1", + "name": "trans-hexacos-2-enoyl-CoA", + "names": [ + "trans-hexacos-2-enoyl-CoA" + ] + }, + { + "compound_id": "C90697", + "inchi": "InChI=1S/C65H108O7P2/c1-53(2)27-15-28-54(3)29-16-30-55(4)31-17-32-56(5)33-18-34-57(6)35-19-36-58(7)37-20-38-59(8)39-21-40-60(9)41-22-42-61(10)43-23-44-62(11)45-24-46-63(12)47-25-48-64(13)49-26-50-65(14)51-52-71-74(69,70)72-73(66,67)68/h27,29,31,33,35,37,39,41,43,45,47,49,51H,15-26,28,30,32,34,36,38,40,42,44,46,48,50,52H2,1-14H3,(H,69,70)(H2,66,67,68)", + "name": "tridecaprenyl diphosphate", + "names": [ + "tridecaprenyl diphosphate" + ] + }, + { + "compound_id": "C90703", + "inchi": "InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+", + "name": "ubiquinol-6", + "names": [ + "ubiquinol-6" + ] + }, + { + "compound_id": "C90724", + "inchi": "InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19-,21?,22-,23+,24+,26+,27-,28+/m1/s1", + "name": "zymosterol intermediate 1a", + "names": [ + "zymosterol intermediate 1a" + ] + }, + { + "compound_id": "C90725", + "inchi": "InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3/t19-,21?,22-,23+,24+,26+,27-,28+/m1/s1", + "name": "zymosterol intermediate 1b", + "names": [ + "zymosterol intermediate 1b" + ] + }, + { + "compound_id": "C90726", + "inchi": "InChI=1S/C29H46O2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h8,19,22-23,25-27,31H,7,9-17H2,1-6H3/t19-,22-,23+,25+,26+,27?,28-,29-/m1/s1", + "name": "zymosterol intermediate 1c", + "names": [ + "zymosterol intermediate 1c" + ] + }, + { + "compound_id": "C90727", + "inchi": "InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/m1/s1", + "name": "zymosterol intermediate 2", + "names": [ + "zymosterol intermediate 2" + ] + }, + { + "compound_id": "C90728", + "inchi": "InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,23,36-38,40-41H,7-13,16-22,24-34H2,1-6H3/b15-14-/t36-,37+,38+,40-,41+,44+,45-/m1/s1", + "name": "zymosteryl oleate", + "names": [ + "zymosteryl oleate" + ] + } +] \ No newline at end of file