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alxfgh

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Text2Mol

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Yadanziolide T is a quassinoid that is picras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 15 and 21 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. It has a role as a plant metabolite and an antineoplastic agent. It is a delta-lactone, an enone, a pentol, an organic heterotetracyclic compound, a quassinoid and a secondary alpha-hydroxy ketone. It derives from a hydride of a picrasane.

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5'-d[CTGCCTTCAG]-3' is a single-stranded DNA fragment comprised of one deoxyadenosine, four deoxycytidine, three thymidine and two deoxyguanidine residues connected by 3'->5' phosphodiester linkages in the sequence CTGCCTTCAG. It can exist as a hairpin structure, 5'-d [CTG(CCTT)CAG]-3', consisting of a four-nucleotide loop (CCTT) with a stem of three base-pairs, C-G, T-A and G-C.

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Beta-D-GalNAc-(1->4)-D-Gal is a glycosylgalactose derivative consisting of D-galactose having a beta-D-N-acetylgalactosaminyl residue attached at the 4-position. It is an amino disaccharide and a glycosylgalactose derivative.

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Tellurium-125 atom is the stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2.

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Alpha-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-alpha-D-GlcN6PEtn-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[alpha-LD-Hep-(1->7)]-alpha-LD-Hep6PEtn-(1->3)-[beta-D-Glc-(1->4)]-alpha-LD-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo is an oligosaccharide derivative that is a tridecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 25 lipopolysaccharide (LPS) core region.

-6.406789 61.871002 17.352983 -8.734779 -3.5040488 -110.53087 2.3694751 2.1208336 56.442276 20.30175 1.8429039 -27.096195 -54.469902 35.927856 18.631998 -6.0996704 29.864464 -33.627842 -137.37137 68.36769 -39.735752 -83.01228 -64.18456 -32.051037 -52.158722 22.0456 11.201981 41.915485 4.6186433 -33.314186 17.271515 -17.978632 10.939962 53.462017 97.05506 2.7773514 -26.47361 62.07429 -1.4845548 -0.9084097 -64.90506 23.0242 -8.010576 -3.4624093 -26.499796 -4.274924 -6.818699 37.70993 -17.377598 107.0435 42.80675 -16.914846 47.598618 8.682545 71.44366 7.164134 -13.232859 56.16517 -23.716343 -18.850027 21.744165 -46.590115 14.942163 53.855915 -33.16664 -7.4406424 33.94095 21.467133 1.8711675 -31.868774 0.74316394 32.573597 -56.445137 21.863031 0.9284022 -26.633377 -84.25178 69.117516 1.5484054 25.931232 -56.041485 -41.334835 -20.234915 19.830683 31.519077 -22.00623 49.996185 21.065641 58.518547 -20.01685 -5.307435 -11.792746 -7.292379 13.654149 -14.628999 -12.148623 41.654583 6.160188 1.0932925 -14.883582 59.609035 -3.6586885 -71.73242 -10.813764 48.853233 18.125044 -7.616745 11.738514 6.429325 31.9317 -39.93028 22.24763 13.780566 -8.602194 88.11237 -47.75122 -31.570614 26.776157 58.97189 39.98567 45.603123 23.13895 -79.748055 -18.442627 34.058456 -105.232346 87.20548 57.091854 -68.27377 43.14843 5.536328 19.29572 -70.99199 84.913574 124.48157 16.696451 27.444803 -12.351881 92.28235 68.45065 -40.359413 -4.6626315 18.659262 29.469307 116.52962 -55.06901 -40.651855 94.41809 -66.086205 12.491649 45.43845 29.185211 -52.456417 17.89592 -0.76956725 41.79433 108.525795 64.77155 98.961525 -28.34064 -93.680824 -1.5995209 -51.058235 -3.9495554 29.08925 -17.780256 154.6768 32.646553 -55.46918 1.062559 42.055614 56.72392 45.9383 -22.7505 -20.218771 6.33359 84.21157 71.29555 -23.920218 -14.458111 -56.895927 2.2489831 -60.810886 3.389854 19.164045 -9.255469 23.248995 -37.99243 29.240124 -0.21842052 40.957336 39.485607 15.543771 29.853926 3.8876762 42.32333 22.137701 9.828065 11.659617 6.607925 -2.2339592 -2.960853 38.505077 75.06769 38.614693 -5.1490207 -9.789477 -2.7996182 -0.7885426 44.66807 19.043861 -13.539261 -42.676815 -20.774323 -21.541733 43.90926 -12.862187 2.8612702 35.205975 -27.142147 -10.169302 -11.154145 -3.5867448 59.81834 -41.13394 -56.214005 -54.1953 22.788813 15.864784 28.729555 4.5986495 22.28085 11.049745 6.0280457 -2.1058898 2.388204 64.24113 2.8962479 -74.75354 -41.125305 -13.477262 -10.555297 -6.017518 -9.58275 57.452366 3.708252 0.07939607 -36.29509 -13.9909525 -10.041108 28.811682 17.877476 -29.471535 36.048645 34.38595 42.015976 5.5057144 -87.37428 -28.649078 24.655115 -37.563953 -33.003277 18.018246 -5.962338 22.527521 -26.80516 42.57806 21.30165 51.46132 -18.668919 4.87153 10.547632 -2.59165 -4.896795 90.04862 84.84775 -9.9961 -45.234715 30.3384 32.9827 8.35116 -20.341223 8.529025 3.197557 57.709282 -50.072285 -38.895645 -16.755394 62.98862 11.873531 28.814413 -44.686596 101.41644 -19.801638 18.01503 -86.68955 -19.106907 -25.920918 47.21001 28.020803

Jacarelhyperol B is a member of the class of pyranoxanthones isolated from Hypericum japonicum. It has been found to exhibit inhibitory activity against platelet-activating factor (PAF)-induced hypertension. It has a role as a plant metabolite. It is a member of pyranoxanthones and a polyphenol.

-2.949618 3.3720078 -5.597023 -2.091219 -4.0416846 -14.023415 -9.574265 6.329243 3.0326688 6.1691136 13.945718 -13.798528 -1.9285003 24.949444 15.136987 -2.7190757 20.049217 -0.20275402 -28.185057 6.896551 -8.672755 -16.495626 0.07054305 -8.267225 1.1517794 -1.1820785 -0.39779907 22.369501 -4.2364345 -5.711023 -0.15427531 -3.3903723 10.531534 9.8890915 5.463931 6.7618403 2.9617925 5.334177 -0.08816336 -6.214662 -1.0933559 3.586032 1.7916284 -18.316286 5.147865 -5.912199 15.387658 -8.072208 5.313496 14.6563835 12.139034 -2.1265311 12.312608 9.696035 -1.5766809 9.090307 -13.913655 -8.037676 -6.7540245 -5.644327 3.2543378 -7.2499914 -4.8281307 6.6342363 -1.6684896 -4.2613764 6.9450154 8.340828 0.2415413 6.8867064 1.641954 -6.0927496 -4.5936594 3.121424 -1.3428568 -8.434682 -10.119722 22.488405 17.69638 13.577393 0.82596564 -8.074375 2.0142157 2.3398943 2.6443722 -4.32035 -0.099877164 -6.7036934 19.769705 -7.80279 -0.7844243 -11.734817 -0.8069041 -1.5574193 4.1581616 5.7880692 4.59139 4.5177073 -7.9752455 -1.2956277 -1.1997446 -15.828627 -13.435445 -2.4545932 12.456087 5.6954627 0.042567134 -6.721314 7.0378804 -1.5275251 -12.41822 -0.8313346 -6.8874693 -1.3685633 15.727777 -8.714301 -0.6226238 -4.9989324 9.575884 17.01642 8.771242 1.8289495 -10.596974 -5.253911 15.858221 -17.450956 12.498771 10.185648 -11.53137 10.8882885 5.6129513 2.4094543 -17.359543 4.562084 23.272705 12.189888 -3.6309965 -5.951021 6.0780973 19.287998 -8.446559 -7.1270022 -3.306987 14.096271 20.83965 -13.454972 -3.6261814 3.1188135 -14.463966 -2.5610993 12.836497 -8.374609 -29.810879 7.8239813 -7.637781 3.5417783 11.338217 3.8233612 1.1258597 -15.342824 -5.28008 3.4663026 -3.7146032 -11.459793 13.795934 -3.5072863 23.648739 12.33552 -10.035996 -12.160626 1.5799813 11.464943 12.201952 -4.3525596 2.1617918 -3.458305 7.409603 3.6748233 -7.330956 8.571505 7.623874 -3.9545963 -17.288244 -6.854217 6.1125283 -3.647583 -13.811052 9.463577 2.5318363 3.2093987 8.970582 -2.5681121 0.41006887 2.0123115 -8.045375 -0.94828016 9.198136 -6.306782 -4.18084 -1.1887954 2.786798 -16.559372 4.1648026 8.407908 -3.8248568 0.5468503 -0.8282008 -6.5214577 9.92538 2.423129 -4.700327 12.5199175 -1.3469396 -3.8382833 7.0722036 3.53891 -2.15725 9.848807 -3.7956226 -5.8230968 5.8486037 -18.602152 -9.875347 -4.285925 -11.212573 -7.51128 13.4717045 -4.7669225 8.814283 -7.429186 11.992323 17.570648 8.967521 -2.5002873 -7.8646765 -1.901863 -1.7573496 1.7666168 -3.370988 -12.059039 2.145313 -11.964818 -12.411754 0.68430793 3.4375257 -1.2756139 6.8462753 -0.1161896 -9.107653 0.67498565 4.346776 14.8018 8.721179 2.690259 -8.965264 -0.17156705 7.187297 -13.918967 3.6898768 -11.7590885 -2.2459533 -7.0869694 -10.170423 8.559533 -15.41074 -0.55432856 -1.6813927 0.1173368 4.1319876 10.096639 11.99113 -9.968455 -2.341061 21.727571 21.520529 -4.672865 7.7965918 12.708227 3.7061098 -3.7779906 -23.545017 -11.932579 -13.48059 14.814231 11.452405 -12.367135 -0.59847105 -0.32463807 18.598711 7.135019 3.7828648 0.97423697 21.68969 -5.1850204 2.1041737 -13.385666 7.210237 -1.9839375 5.6068425 7.5819635

Beta-D-Manp-(1->3)-beta-D-Manp-(1->3)-alpha-L-Rhap-(1->3)-beta-D-GlcpO[CH2]3NH2 is a tetrasaccharide derivative consisting of a D-glucosyl residue beta-linked to a 3-aminopropyloxy group and which carries at O-3 a beta-D-mannosyl-(1->3)-beta-D-mannosyl-(1->3)-alpha-L-rhamnosyl linear trisaccharide unit. It contains a beta-D-Manp-(1->3)-beta-D-Manp-(1->3)-alpha-L-Rhap-(1->3)-beta-D-Glcp-yl group.

-3.1594286 12.982239 6.4367094 -0.7498755 3.1525764 -31.81362 2.018513 -0.3400109 18.974384 6.333469 -2.0826657 -8.896053 -17.559687 13.514929 7.824309 -3.8534439 8.788182 -12.36635 -41.084858 18.075478 -9.924157 -23.39621 -17.508858 -8.85824 -15.859346 5.241022 1.518581 10.2939 2.3706021 -9.0847025 3.8322434 -2.3506286 4.578137 14.290324 29.509203 -0.93049294 -8.957587 18.003864 1.879304 -0.094578415 -18.753447 3.608877 -4.182362 1.716653 -5.67977 -0.08145013 -2.3705633 11.287541 -0.4571229 34.507225 10.285236 -4.866409 15.792866 0.085801825 23.592926 0.49953955 -5.7295284 13.93895 -5.9232726 -3.9526386 4.2566485 -12.207434 1.7176931 10.222995 -7.9949665 -1.2761402 5.4803276 6.929618 -1.9696646 -12.4373 0.5416262 7.7874117 -14.985874 8.670633 0.45354834 -10.235957 -26.117125 20.275265 -2.1410239 5.0741425 -14.956336 -10.86158 -7.3877735 5.2100115 8.2960615 -2.7155437 14.881031 4.439983 13.975993 -7.0478635 -2.040615 -0.51454496 -1.3621818 2.6882536 -2.8298047 -9.377104 12.025779 4.941719 2.2435281 -4.0304737 15.613256 -0.4681512 -20.758223 -0.3159213 14.975826 8.247577 0.6552793 2.348892 2.9682846 7.7942734 -12.181835 10.811965 6.674777 -3.9194314 24.280233 -15.655995 -6.9824367 7.2806177 16.951332 13.043712 16.825283 6.3463144 -20.768349 -5.2517877 8.379969 -33.961735 25.902786 12.577987 -20.43919 13.013243 1.0791769 3.2203968 -17.500795 25.768627 34.934086 8.385672 9.340947 -4.728812 23.704813 21.84711 -15.088302 0.86355543 6.382029 6.1783485 35.594734 -11.555223 -14.390323 27.512386 -22.55821 4.9205704 16.578302 7.383284 -13.776008 5.714862 -3.0815346 11.878994 30.501253 16.7863 31.650032 -7.4112864 -28.683613 2.2922404 -13.505408 -1.3089861 10.512065 -3.5960505 46.202946 12.247131 -15.569735 0.43589398 13.774233 18.68285 11.912771 -5.3733344 -4.904328 1.0715847 19.885284 18.266678 -6.595638 -4.705072 -17.722815 3.7716122 -16.184526 -1.4095943 3.3877318 -5.6983824 6.219618 -13.452745 5.5833087 -1.3005363 11.023236 10.503717 2.7846203 10.966317 0.7407818 12.00865 1.4882762 2.4806626 4.086102 3.4179072 1.2511742 -2.1771214 9.973096 22.071619 9.448743 -2.4892502 -6.5778775 1.6445057 -1.7517041 13.41864 2.3012152 -4.6128745 -13.002679 -8.875338 -9.133718 13.200389 -3.1511934 0.9819308 7.2062798 -10.831556 -4.383293 -3.4178827 0.7470226 15.140779 -8.549178 -16.791594 -16.879166 3.2228422 8.283502 6.6266212 0.6280636 4.645423 4.7729335 2.8417618 -4.6582756 2.4023533 20.662882 -0.62614024 -21.86855 -9.475435 -6.0558963 -3.6533754 -0.84995246 -2.3905966 15.241371 4.5172777 2.664384 -11.713204 -3.011407 -3.2827988 5.8779354 4.7764044 -10.420348 9.870083 11.991671 13.497311 0.3011651 -26.194407 -11.182892 6.215096 -12.361202 -9.747289 4.2663755 -2.214384 5.6209545 -7.4934845 12.274676 6.7821693 15.082246 -2.5334632 0.019878581 1.2623569 1.6222267 0.059406623 25.367758 24.197712 -2.2741406 -12.2620325 11.149008 9.678274 2.0620632 -7.8397684 1.9104071 -0.89607817 17.114273 -14.219484 -9.619111 -7.496649 19.86847 5.8691278 5.9620714 -8.078729 28.139452 -2.331904 8.226366 -22.961386 -3.091206 -6.5067887 12.241789 6.572994

1-oleoyl-2-linolenoyl-PAP is a carboxylic ester that is a modified acyl glycerol with oleoyl and linolenoyl entities at C-1 and C-2, respectively, and an aniline moiety at C-3. It derives from an oleic acid, a PAP and an alpha-linolenic acid.

4.228463 14.103497 3.6074786 -14.382266 0.7911185 -10.660681 -12.049087 7.749444 -16.554592 10.57266 18.480804 -12.256603 6.9119983 -1.792954 1.4105147 -8.648581 4.1452074 12.651904 -20.662851 1.6729045 -6.7896943 -2.7985618 2.1831245 -21.322086 -6.633168 10.733444 1.8969873 20.143417 -10.273502 -12.6880665 0.8167224 -10.920205 -4.7309327 9.4366865 17.45196 13.539273 -3.9711974 21.997797 -1.7390791 11.560377 -2.7396884 -15.026448 -1.917925 -6.708831 -18.506273 0.6929737 0.1452443 4.624504 -5.147875 12.019342 17.971245 9.368654 13.0163145 10.386189 5.7351513 -13.483094 -0.007933378 -2.2248921 -2.3236616 -6.2872753 -1.0756965 -17.262001 -0.42539912 22.169516 8.482896 3.6467216 1.2906253 -2.180977 8.801071 -8.747264 2.8767467 -0.7196194 -10.077211 9.00952 -4.3001122 3.7483244 -5.2380633 14.789571 6.959116 6.5838776 -9.471472 -1.1466631 2.5931594 15.914732 3.2957377 -1.2618175 3.3645625 2.0136936 24.126257 -14.529916 4.749304 5.8953304 13.306051 -2.193629 -0.8397435 -1.8036598 1.7751659 0.06652505 4.8911586 10.72797 7.4968615 4.27396 -10.928647 -2.5492713 -15.545872 9.621835 1.8519762 -1.9505179 7.906172 16.213802 -9.283174 3.5027535 -20.11517 -6.2120624 1.7936325 1.2558992 -7.239569 11.208024 10.659066 18.00001 22.581728 2.2188613 -3.781266 -0.49384412 16.161007 -34.04285 16.774628 24.98881 -1.8680245 16.46208 22.55426 -13.809409 -10.110625 8.073563 15.688769 -5.19069 4.26745 1.0502259 22.127146 5.776566 -10.304075 0.1782628 2.3345232 9.510589 21.262146 -30.746403 -8.101437 19.108967 -18.095638 0.61210346 6.34682 -3.9902442 -19.737726 6.168352 -7.879086 4.5424676 6.894403 17.123528 27.727158 -7.936193 -20.501492 5.9936175 -9.245238 -13.25457 17.847502 1.2782961 11.283863 19.967556 -9.646583 10.752621 4.7164135 12.220399 -0.06692864 4.3619785 -0.72583055 -1.1407311 24.932661 6.967772 -22.083624 -17.575535 5.798027 3.8190434 -9.740949 2.3993998 14.237898 8.029036 -8.049545 1.4813712 7.5594583 14.620835 5.2544537 21.085182 -1.8839152 -3.885816 -0.10008308 3.9953074 8.650862 11.350421 10.270634 4.485083 -7.4587502 -3.4579744 6.0432663 4.8076005 5.0538454 -11.82056 2.506373 -4.3360915 5.016465 0.5398984 -9.332295 5.216721 12.535882 -16.728065 5.301385 -3.6870809 -7.1485395 -6.66792 15.166393 -7.5575557 -4.736788 11.785337 -14.211851 7.1759515 -35.31018 8.6238365 -8.488312 -1.4887596 -10.689943 10.600216 5.380695 7.356678 -5.780976 -11.985264 3.2970939 2.1077783 20.218254 -2.858511 -10.106045 -5.29542 -3.3040016 -4.770769 4.277052 -5.620952 1.6908194 6.392201 1.9254014 -2.6921957 -9.03661 21.300558 14.184592 2.431354 -0.19495293 1.5980612 3.4949472 -7.5484996 16.569956 -11.185269 -13.486439 -11.062328 5.312169 -10.856127 -5.942948 -6.497656 6.222739 0.80766845 4.0383945 -7.8657017 15.148862 -3.950035 -9.27333 -6.677765 2.629445 7.338682 3.4544983 21.093975 -3.8162398 -1.5913907 15.410739 -8.07333 -13.834473 1.6589764 -7.6296377 2.074147 16.60267 12.199386 5.0407777 -7.9473314 13.803157 11.024518 13.204661 5.1707835 12.559477 -2.3617277 9.551546 -9.410565 9.090275 1.0186892 3.3872938 8.378287

Oryzalin is a sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group. It has a role as a herbicide, an agrochemical and an antimitotic. It is a sulfonamide, a C-nitro compound, an aromatic amine and a tertiary amino compound.

2.0128613 7.2838535 -0.34835488 -2.7730386 3.2044885 -8.130886 -7.329611 4.930861 -3.7226288 5.4188356 11.242301 -9.50749 1.0255251 2.8995361 2.940792 -4.038774 -1.5129473 -0.62287444 -9.59757 4.2328563 -8.65956 -6.732471 0.25739402 -7.501313 -3.1545122 2.381236 -1.0413617 4.472295 -4.6800714 -6.8511076 -3.4058635 -3.1566992 -0.31411332 7.2037153 0.8932557 6.6415553 -3.0328279 9.764676 1.1393174 2.9523847 -3.355259 -5.451077 -0.67926025 -1.1920494 -2.2374506 3.5417762 7.5194874 -4.9331985 -3.5897737 2.958062 6.775727 -0.5283662 4.606455 6.9694605 1.1136408 -1.1898264 0.7040776 -2.1730094 -6.659241 -1.8674519 1.0483758 -1.457554 1.4793408 1.6393105 0.7865307 3.077849 3.7938125 2.6193428 -0.3935179 1.6328607 2.2707186 -6.0310016 -1.8598735 2.1104934 -4.0385413 -4.8516283 -0.9243066 6.1679926 13.219539 2.5767622 -0.07513128 -6.458659 -2.9957275 2.6065943 2.5135136 -3.1001053 -1.2026812 4.3825455 7.2411714 1.158035 -0.10950498 1.0032439 -2.6012475 0.77300197 -2.5827236 3.5682645 7.0037427 -4.7134733 0.2585435 4.0184965 -2.3022738 0.17992242 -5.0539007 1.2477531 -4.367307 0.4018979 2.116103 -5.0790467 4.062623 3.2193837 -12.079187 0.5814722 -3.371984 -2.6491947 2.3013253 -0.25198412 -3.9508736 1.9184412 0.4403892 9.169943 8.704238 -1.1947589 -6.864362 -9.480834 8.148218 -5.859824 8.835202 4.8897696 -0.34423676 4.8717556 3.9204795 -7.3258224 -7.1729445 6.1275206 4.0597486 3.594897 3.9451487 -7.89765 7.4559674 3.094 -1.5117533 -0.80477905 -2.4137852 2.072863 9.415049 -3.3031085 -1.9174429 9.51072 -2.6094391 0.1995549 5.446867 -4.4505925 -5.1787176 -3.0107424 -1.1478232 -0.09124173 5.989577 1.0900633 1.876038 -0.25287598 -4.625647 0.14914583 -8.975931 0.308365 5.427644 -3.6129112 7.870134 6.8276243 -8.0589 -3.2433352 6.2571115 4.164522 5.6329994 -2.888995 4.37172 -0.9905888 12.710848 6.4565415 -7.2357264 -0.65609455 2.273981 2.727301 -6.9819694 -1.7211152 2.040826 3.2172506 -5.8687973 6.790503 1.8156222 0.79654086 5.8962617 6.7551966 -1.3111286 0.30334598 -7.083319 -3.05367 2.8346772 -0.03255651 -1.9098121 -1.2002139 -4.371098 -9.746318 4.6337214 4.3869867 0.3964218 -0.48888803 2.2794135 -0.7266183 2.9830809 7.3544908 -6.477335 7.2684946 2.7410195 3.4587808 4.2133574 -1.6733739 -1.9003525 0.3984065 -2.4420185 -1.733328 -1.2454616 -4.5550227 -6.6243415 -0.37713426 -5.1668034 -4.352957 10.794098 -6.227906 3.5828547 -5.9572735 2.0870209 10.273004 0.93042797 -1.1290511 2.0301485 4.0062103 -1.7183168 1.9140563 1.9474032 2.0962229 2.8064675 -4.6416183 -2.8067465 1.8599344 0.19562352 -1.4224355 10.302235 -0.129215 -6.0098534 3.824142 0.8737749 6.175174 7.904324 -1.1028299 -8.1813545 -5.0749507 5.333483 -5.6879644 1.2632205 -9.066028 6.261839 -3.87518 0.551947 2.9555535 -1.1905637 -0.14335476 0.60150766 2.5639555 5.2357817 6.110264 2.8627255 -0.954535 6.561418 9.368225 12.351603 -3.8435395 4.34171 0.28646666 6.3030233 -2.9522579 -9.179454 -5.70005 -4.907895 4.2615724 9.012619 -1.9799223 6.222013 -2.1794596 3.2763138 0.38949516 9.646527 1.8709848 5.932223 -5.045141 6.968006 -4.1970797 0.93934774 2.1897855 4.748566 2.5294719

(Z)-4-hydroxy-3-methoxycinnamoylagmatine is a 4-hydroxy-3-methoxycinnamoylagmatine in which the double bond of the 4-hydroxy-3-methoxycinnamoyl component has Z-geochemistry. It derives from a cis-ferulic acid.

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Chlorphenamine is a tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma. It has a role as a H1-receptor antagonist, an antipruritic drug, a histamine antagonist, a serotonin uptake inhibitor, an antidepressant and an anti-allergic agent. It is a tertiary amino compound, a member of monochlorobenzenes and a member of pyridines.

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1-(2-aminophenyl)decane-1,3-dione is an aromatic ketone that is 1-(2-aminophenyl)decane carrying two oxo substituents at positions 1 and 3. It is a beta-diketone, an aromatic ketone and a substituted aniline.

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Platensimycin A1 methyl ester is a polycyclic cage that is the methyl ester derivative of platensimycin A1. It is isolated from Streptomyces platensis. It has a role as a bacterial metabolite. It is a cyclic ether, a cyclic ketone, a polycyclic cage, a secondary alcohol, a member of resorcinols, an aromatic amide, a methyl ester and a secondary carboxamide. It derives from a platensimycin A1.

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1-O-(6-deoxy-6-benzamido-alpha-D-galactopyranosyl)-N-hexacosanoylphytosphingosine is a glycophytoceramide having a 6-deoxy-6-benzamido-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. It derives from a phytosphingosine.

3.3078232 14.482308 4.6931505 -17.638386 6.4285975 -20.942076 -8.0794 14.270268 -10.467825 8.454985 13.313722 -21.222187 -2.0531921 -4.276099 -0.8925846 -10.323224 -2.6849215 7.795344 -30.187252 4.3304687 -17.854593 -14.982474 -3.9939413 -32.816376 -7.880184 18.644123 3.4898596 18.795725 -11.710099 -16.79699 3.0399454 -12.375315 0.13538036 17.156687 18.169018 15.200327 -10.7196665 33.39171 -5.6717525 17.040314 -12.590328 -17.389673 -1.6199147 -4.2465596 -22.915531 -2.011971 -3.466493 8.515912 -3.2730377 23.825188 20.597864 8.117625 16.495804 12.342938 15.897053 -15.398289 3.5182493 -0.48826423 -1.8550673 -6.154043 -2.144818 -25.670742 6.0274997 27.671986 10.244382 2.3226166 -0.45668536 -2.156384 2.9341578 -5.196314 -1.2398922 -0.5597103 -14.273304 15.580476 -6.1170006 -1.3788462 -9.103032 15.815626 2.933969 7.449907 -18.213867 -9.834939 0.21267699 16.307152 5.99847 -4.9296865 12.583918 6.6041064 30.101574 -12.012812 4.7666774 9.780793 10.166593 0.35517758 3.0741475 -2.5105326 5.2603855 0.17304072 6.7173643 15.601908 13.449113 10.388003 -16.779377 -3.4320254 -10.903618 10.73639 2.2508378 4.3859997 7.6844587 20.41306 -13.09351 10.236822 -16.783773 -4.3728147 11.767007 -8.900353 -3.0672808 11.942364 15.945029 24.755798 26.676098 9.358495 -22.601923 -3.1733198 13.297279 -37.937584 21.513508 27.884209 -1.3932897 15.421084 26.743977 -10.973184 -15.298712 16.642265 23.453953 -4.2154984 8.48645 0.79600734 32.990883 3.16751 -17.416916 1.1434462 3.600829 14.193369 34.92939 -35.644825 -13.347401 28.197891 -23.633934 4.377094 15.6928005 -1.6434014 -20.211056 9.709181 -11.94518 9.356268 20.25959 23.48943 37.126724 -6.970022 -27.306019 3.081229 -16.856016 -17.62197 20.66241 1.4016925 27.651848 21.883263 -14.319826 13.310175 9.706014 20.966553 2.3259814 -0.6212042 -5.0652604 -2.7586298 35.143005 17.050903 -32.21713 -31.552364 2.697198 3.4656947 -16.045567 5.3045516 17.52479 9.621588 -4.7574286 -1.0759666 11.985593 19.744976 10.761523 25.808802 -6.976396 -1.009412 -3.8529546 4.659574 3.1486387 16.589575 11.724556 2.3745172 -14.341316 -6.707573 9.7267685 13.805698 5.748382 -17.108128 1.3974721 1.5697547 2.4669132 5.247356 -6.0135884 -0.9672868 9.015571 -19.136087 0.07356453 3.7484322 -19.01886 -2.104922 19.015045 -12.088552 -6.2692933 8.7859955 -12.815175 11.235667 -41.039276 1.7557342 -11.478452 1.2986985 -13.7499075 17.903692 -1.2422311 7.457374 -12.007018 -8.393312 0.996248 0.48142028 25.118252 2.2687182 -12.84892 0.91349936 -2.140456 -9.691053 5.3148127 -6.2012887 11.981655 7.242606 7.375559 -9.744265 -11.592985 17.100672 15.701154 2.470015 -1.8694193 8.083809 2.032369 -2.9805152 14.390888 -22.353237 -16.429781 -9.079608 0.98567814 -15.033676 -2.811274 -8.277241 10.026935 -3.2401547 3.0045424 -10.642403 21.46507 -6.2113957 -9.863271 -9.140744 2.736735 8.190947 12.66145 25.247969 -9.086618 -9.519857 17.339134 -5.354547 -12.835465 -6.951838 -6.2697825 -1.378542 25.718122 4.5273404 2.2611985 -2.1359525 19.895744 11.887393 21.056446 3.0770836 22.807713 -3.4556751 8.853455 -23.836748 11.653808 -1.8955431 13.107851 14.973791

Mitoguazone(2+) is a guanidinium ion obtained by protonation of the two imino nitrogens of mitoguazone; major species at pH 7.3. It is a conjugate acid of a mitoguazone.

0.15652531 2.8913553 -5.8911395 -1.4988993 -0.9253565 -3.11336 -3.873402 0.8797685 -4.8898935 5.7974205 3.8547692 -6.6050367 2.3822384 -4.2054706 1.2344195 -5.0314336 0.22993758 -4.3331556 -9.168009 2.1823685 -1.2254469 -0.6258743 -2.1283457 -1.4440062 -1.7973348 0.62308973 -1.7900685 3.0675626 -1.7083836 -6.596015 -1.6585579 0.66849005 0.16572833 3.9500225 3.8275604 -2.285641 -4.469192 0.18192351 4.801987 0.9582376 -3.9269037 1.1167201 -2.4666204 -1.1317475 -4.773227 -0.6400982 -0.6072351 -1.6819471 -3.7991817 2.2656872 2.2641299 -1.3036039 1.0666919 1.4255182 2.6983361 1.4319637 -2.4108691 -2.8589206 -3.414906 -3.0150647 3.4466689 -1.2212569 2.5883813 1.7709002 -4.140116 5.152364 3.2683933 2.33561 -2.5606923 1.025793 3.333798 3.026682 -7.66916 -1.6663243 -3.0882323 -0.64808184 -1.8971745 0.28060812 1.1007043 6.860022 -3.463633 -2.3838723 -5.8501477 6.5894494 1.8156139 -2.3298922 0.33049858 -1.0601918 2.8783886 0.8475285 -1.6266569 0.21824971 -2.8685687 1.2048068 -1.2841129 -0.5491707 0.5424995 -4.081493 -0.06583406 0.54880536 4.476955 -0.21947879 -2.4452682 -0.58553815 2.8999455 -2.1405878 4.0989585 -0.81489235 -1.7006758 1.477963 -2.5110195 2.6445549 -2.7147431 1.3029327 3.61397 -1.565661 3.855097 -0.10323055 0.73522836 3.5431414 0.27304533 -2.437571 -0.10149495 1.6222582 -1.990692 -3.2706742 3.6171079 5.4075885 1.9842412 1.1555396 5.803434 -2.0634248 -1.5087156 4.2500825 0.05693186 -3.271038 -1.0191517 0.088207774 6.3707085 0.7336113 0.35207132 -1.4947782 0.82600355 0.7669764 5.0266886 -3.3203316 -3.3255837 5.534367 -5.239817 -0.07499413 1.7044095 0.41599506 -0.5848968 0.032063305 0.40953368 0.5629541 3.965603 3.392961 1.53205 -2.4804447 -3.0656202 -1.4983145 0.40320978 -1.0196037 2.8389773 -4.003681 6.5816536 3.371301 -2.367057 -1.0947025 -3.0033429 2.648839 1.0268004 2.2099652 1.7619979 -2.232812 3.194892 2.2716093 -1.9114226 -6.21547 0.95203406 -0.98614526 -2.3781514 -2.6679423 1.4051642 1.8487173 -3.7221284 -0.70974255 3.5626304 2.4508817 7.220105 5.5277896 0.06904624 0.31793025 -3.8034227 1.9556715 3.7213836 0.63860327 3.5322733 0.20115116 -1.5981653 -4.1732306 0.8406858 2.8560414 -0.79009104 -1.9203622 1.557413 1.7238038 2.1411495 3.2434728 -1.5874898 3.8633475 1.7260376 -2.1346338 3.5963643 1.9758594 -0.62435 2.3982675 2.0074875 3.1944816 2.0651267 -4.5083184 -0.55784374 1.1913575 -5.19657 3.2024534 -2.4172335 -5.9605694 -3.934115 2.9560566 -1.5533764 1.5121338 -2.94838 0.42426094 1.0075222 3.5284677 1.7970403 -0.86981463 1.9387419 -1.5260972 2.6962578 0.13420546 -1.400237 1.7429239 -3.469017 -2.5645053 2.3445914 -0.17296836 -0.33389533 1.4453262 2.1491976 -1.9147491 0.6114311 5.908344 2.3382516 6.564251 0.58548856 -4.0703855 0.5190265 -2.4454482 0.6483133 -1.7303212 -1.9308378 -1.6151607 2.0739136 0.63351196 0.26795316 4.984055 3.0462558 1.1438214 -7.053896 0.5547623 2.4556997 1.7645628 -0.8418851 -2.882068 2.130689 2.748542 1.5735608 -0.3079635 -0.023230478 -3.943804 -0.60245913 -1.6474417 4.25191 -3.5162003 0.15515527 0.43857017 -1.0894763 -1.4297292 3.3498693 -3.2337036 0.022633307 -1.1799581 1.3202323 -3.1712165 2.2778754 2.3034735 1.748775 2.3652546

DTDP-beta-L-daunosamine is a dTDP-sugar having beta-L-daunosamine as the sugar component. It has a role as a bacterial metabolite. It derives from a daunosamine. It is a conjugate acid of a dTDP-beta-L-daunosamine(1-).

5.288751 13.498175 -2.5222633 1.1455466 0.81402457 -15.523038 0.45167512 7.5119715 11.067979 3.9769416 4.7691264 -7.768672 -4.720706 15.155088 2.1062598 -0.35671335 8.090694 -1.2139037 -25.098284 13.23253 -8.335509 -13.647379 -11.998479 -3.3806455 -10.318174 0.7350066 -1.7780838 11.242105 -1.4612967 -8.06006 1.1233029 0.9214836 3.7885766 9.856698 16.567316 1.3577914 -0.1706537 8.750744 -4.0905085 -4.928649 -7.2188625 6.7816944 0.2681957 -5.0461793 -7.5419374 0.4961951 3.1259434 1.2317691 2.084589 7.654543 10.142608 -7.189432 6.689977 4.2672443 10.362592 -3.7086782 -4.2544417 -0.33410043 -9.343432 -3.9943902 2.4293246 -2.759795 4.18827 11.168088 -6.0434585 -0.54853475 1.8555263 6.5980315 4.148468 -3.272174 1.6279484 5.295329 -13.757258 4.352998 0.91843575 -2.5738919 -14.8341255 11.062131 5.2190366 5.8033824 -7.397671 -7.655565 1.0015702 4.786841 -2.0749965 -3.5261533 11.040464 1.3296282 10.264484 -8.317097 -3.038837 0.6936773 1.9846363 1.6967764 -6.906194 1.7593298 8.786574 -1.8266484 4.3159957 -3.0885518 6.471736 -0.6788938 -13.368355 -1.4580342 8.693319 0.7611539 1.7512097 -4.4680963 0.5398921 10.754631 -9.748448 -0.8086399 0.7492288 -0.6804516 14.341585 -6.016165 -0.34858754 0.005140081 9.709263 5.976797 9.09617 1.20463 -18.642546 -2.352491 7.9518757 -16.413744 18.618954 6.7447968 -5.7506213 10.722724 5.403428 2.9134126 -16.298462 14.365857 22.002146 1.4780154 12.299197 1.4319321 12.123394 16.050135 -0.12095844 -2.8431194 -1.0763092 5.6760426 18.92165 -4.645651 -5.799615 19.8064 -13.599297 2.045144 10.495039 4.273144 -18.312595 -0.7605284 -3.160207 4.610726 17.077333 11.33259 11.10072 -7.5406713 -11.307584 -0.5725186 -18.913572 -0.7536597 2.404293 -8.011092 23.69408 8.352814 -11.14041 -4.411066 7.0112047 7.6853456 9.2347975 -4.6524324 -1.8352137 -3.0523322 13.91425 8.58696 4.7402534 5.0972233 -6.184986 1.6968548 -5.5170755 -1.0164853 5.861922 -3.9813473 1.6104785 -5.222423 1.9762144 -3.7609825 7.4069414 6.6464458 2.3215044 -0.7146582 -3.1499276 7.2202415 0.8554604 -4.0597568 -3.9997308 2.2207308 -2.886168 -5.9531016 7.3432665 10.498102 8.3599825 4.511704 -0.38007113 -4.110228 4.0349827 9.05127 5.146829 1.3588891 -5.746958 3.0487604 -3.0585632 6.346021 1.8986976 4.5609083 2.8777661 -4.7357407 -4.838878 -9.534631 -2.8010433 4.9675694 -6.785658 -11.086003 -7.571886 -3.3713295 3.0935535 -2.7468617 1.3501441 5.8451166 1.5157806 2.8151624 -5.0941086 0.038489163 9.937217 -1.1675446 -6.023025 -5.6536994 -0.07411305 -6.0501566 -4.8670807 -1.2779115 6.51257 -1.8633379 1.868352 -3.9745047 -1.0396601 -3.0545046 5.2404137 4.8698063 0.48399568 3.1777968 2.522783 8.549577 -0.16918196 -15.388873 -3.5281234 1.5862082 -5.618032 -2.1441503 -4.0988913 -0.08886901 0.6775589 -4.2249007 4.6462355 0.2654826 3.417825 -0.33580533 2.3322992 2.5884733 3.6187742 -6.771523 13.579379 6.412901 1.5528626 -9.345244 1.3112465 3.1913385 2.0144086 -8.701831 -3.6440094 2.4296215 4.536047 -12.637923 -4.057168 -4.593957 7.8688607 -0.27390388 -0.5488993 -9.269531 15.344189 -5.472268 0.42261255 -11.094835 -4.292757 0.5946958 1.8180438 5.7664833

2'-deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5'-monophosphate is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having 5,6-dihydroxy-5,6-dihydrocytosine as the nucleobase. It is a metabolite produced by the bacterium Mycoplasma genitalium. It has a role as a Mycoplasma genitalium metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate and a nucleoside monophosphate analogue. It derives from a 2'-deoxycytosine 5'-monophosphate.

2.2116132 9.703263 -1.7490349 1.0982008 -0.28745008 -11.3229885 -1.9195144 3.4830647 6.3158545 4.529445 2.700088 -5.7722406 -2.8137918 7.745944 1.1694591 0.17354485 4.8142705 -0.6185828 -15.374009 7.4362836 -3.5873652 -8.482266 -8.573594 -1.9154263 -7.1827884 1.5284537 -0.43098837 5.266824 -0.33537745 -4.5276737 0.1762811 0.56580156 3.5313842 6.8335733 9.994336 1.5682533 -0.93027914 4.2536535 -1.1639985 -2.704273 -6.146289 3.798888 0.467108 -0.567895 -5.139559 1.0986719 2.2264135 0.827407 -0.99906385 4.2251287 5.6930413 -3.720158 4.8961406 2.0293329 6.0034356 -1.1298712 -2.6637115 0.07532762 -4.7420425 -3.625242 3.8871353 -3.7355485 1.2938088 7.5827985 -3.4422405 -1.5512918 1.2672311 4.943877 -0.03349389 -2.042805 0.16029514 3.4680939 -7.5346727 2.1227458 2.129313 -2.1188524 -7.8557415 7.3014083 2.8628163 3.4965081 -1.668132 -5.879576 0.4438693 2.8248057 -1.2239804 -1.502059 7.743639 1.1023346 6.3737106 -5.3439507 -1.9663962 -0.41626483 1.8363731 -0.161919 -4.0231175 1.4855353 6.707562 -1.2536076 0.9341796 -3.5186455 4.3106704 -0.1252623 -9.374805 -1.2487454 5.9858675 -0.2842512 1.8681035 -0.59622735 0.7111669 5.465786 -4.8900146 -0.63805413 0.9724643 -1.8032992 10.174121 -4.4274817 -1.4053663 -0.40482658 7.0636835 3.8311093 5.1790557 -0.62614614 -12.901353 -1.1928533 4.7262444 -8.708302 10.871304 5.6179166 -4.2823424 6.6129694 2.2939413 3.4927382 -8.733037 7.493684 14.902019 1.2432138 8.004882 0.68513674 8.116855 9.104843 0.06401065 -0.5667856 0.37487686 3.1499746 11.937816 -2.8751535 -5.598381 12.263112 -7.644204 2.5657353 8.433862 2.0610874 -12.196624 -1.4060348 -2.2570372 3.3845093 12.108403 7.1654515 8.272942 -4.970412 -7.907487 -0.5293369 -10.452532 -0.13683474 0.5882331 -5.0739 16.880386 4.1570144 -6.9612365 -3.3105967 3.1577015 2.9801435 7.780156 -2.733779 -0.4768589 -0.4834994 8.139873 5.738405 3.465835 5.431996 -4.249569 -0.6248611 -5.124567 -2.188055 3.903188 -2.6144605 2.897374 -3.6537573 1.8141682 -2.173635 5.912016 3.9475214 2.2198331 -0.33030897 -1.353241 7.096542 2.0641723 -1.7747543 -1.4904417 0.97272795 -1.0977285 -4.0207953 4.2916794 6.069436 4.5989943 2.7192142 0.87362176 -3.6810458 3.3669848 5.665167 4.395927 2.447283 -2.1364768 1.3113195 -1.0387192 4.4075184 0.4099679 2.9095175 2.6115303 -3.2923775 -1.8798791 -8.6108 -1.1722397 4.852092 -5.007917 -7.5558724 -4.0072117 -2.3587224 0.9394105 -2.8379424 2.1877499 3.136205 1.6742421 2.575184 -2.6337442 0.9169476 7.289637 -1.1405486 -2.2522578 -4.310039 -1.6363158 -3.775153 -3.6572683 1.1496058 4.2886577 -1.8508457 0.06810189 -1.966579 0.8367587 -2.3712351 5.4204893 2.7904012 -2.3278499 2.3999538 2.6051517 5.65268 0.49614435 -9.938087 -3.9428358 0.4002286 -3.3073902 -3.0212111 -2.0037422 1.6750151 -0.060905397 -3.2815826 3.9868677 0.34771976 2.2983923 0.6145481 0.68793356 3.5170898 2.5478265 -3.273339 9.172443 5.6882997 1.6686044 -6.758768 0.35314843 0.9361135 2.3270907 -5.230967 -1.2460107 0.6727892 3.7153194 -8.961499 -2.4298713 -2.1076481 4.2839646 -0.6906043 0.59275043 -6.1807723 10.20631 -1.8626486 1.2158289 -8.290602 -0.41972834 0.22623418 2.9097192 3.6587057

5'-hydroxyomeprazole is a sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group. It has a role as a drug metabolite. It is a member of benzimidazoles, a member of pyridines, a sulfoxide and an aromatic ether. It derives from an omeprazole.

-3.528837 5.8983197 -1.4193867 -2.7105522 2.2825317 -3.7771544 -6.9146 1.8539519 -1.2969131 1.6449567 7.286446 -9.89919 2.027266 16.809963 5.5890903 -2.7348206 3.2449422 0.19496769 -13.763015 7.1009073 -5.35455 -1.7946312 -0.8603226 -7.4838805 -4.6268525 0.62442183 -1.8632284 8.949274 -3.5288322 -2.5284162 1.2956644 0.2371253 5.0270805 7.1092296 3.4684546 4.9035206 -0.09401636 5.0223165 2.117265 -2.6317744 0.27405006 1.5160183 -3.3828852 -5.6790705 -1.3658749 -5.1954846 7.7161365 -3.8537486 2.3682709 5.1602097 5.4870157 -2.7229753 4.328316 5.138648 1.411285 -0.9304977 -1.469976 -4.5704875 -6.615651 -3.0803905 -4.227482 -1.4200503 -0.83089316 4.402715 -1.2809079 -1.3427684 -2.6627545 1.820984 -0.43889636 2.6938088 0.4965327 1.639007 -3.6607313 -1.1640713 -3.2819767 -0.31315804 -6.9836583 8.455521 7.265137 8.0086775 1.0861597 -3.8078542 2.0213113 1.4529078 -1.1897265 0.9683383 0.9251518 -1.5043739 8.576664 -3.247547 -6.1399174 -3.5380845 1.5072126 -0.6555678 1.71936 1.5467851 2.8702354 1.0121728 -2.4822721 1.1669879 -0.5367648 -5.6707635 -6.216112 -2.2276602 2.4609568 1.797142 4.0945683 -5.416748 2.0520961 3.7806067 -3.6080768 -2.1399927 -6.010297 -4.168307 6.1316485 -4.1286855 4.541629 0.32080328 3.383918 6.0192804 6.3396297 -0.5477863 -8.638725 -2.5258286 8.433313 -8.168115 10.759297 2.018208 -1.556679 4.263662 6.2278414 -0.6270452 -8.90662 2.963067 10.466325 4.3165474 0.079645395 -3.208686 6.8200045 8.886624 -5.7577696 -1.362423 -0.9631462 6.4438376 9.764894 -7.2022953 -2.1098695 2.8772228 -9.671817 3.0789068 7.0680094 -1.1808352 -16.164015 1.4288898 -3.1781006 0.2834784 6.4355707 2.340815 5.0295506 -9.212874 -3.29216 1.6612755 -5.2753525 -4.525618 8.564445 -5.8410034 8.565634 6.52971 -1.0143633 -0.8168402 0.1850137 -0.9306866 6.913324 -3.2539973 4.0598516 -4.193116 4.914468 1.0265275 -2.010775 -0.20790526 5.28409 0.11157949 -2.1149485 -4.343207 8.03494 -4.0244884 -7.5957656 4.0503263 1.7015157 0.11255428 10.756776 1.0826524 -1.2706861 -3.229655 -5.029425 -1.5850806 -1.3419685 -4.259524 0.54169995 -3.080163 2.487597 -6.5517983 4.100748 3.5077877 -1.4124727 2.0956037 -2.5647235 -1.1012602 8.371916 5.1714187 -3.2207217 9.590369 3.8079267 3.3017745 5.6285763 3.7596965 -0.897747 8.072671 -0.09416738 -3.0073845 1.9872797 -11.7107725 -7.441042 -1.2065527 -9.879548 -2.4652522 8.720631 -6.409547 2.2457051 -5.285621 -0.6340785 10.107179 0.22287902 -6.742373 0.17179608 2.45923 0.77681667 0.19660953 2.8873923 1.2637616 2.5354996 -6.3520584 -2.2297764 -2.9618175 0.7819137 -1.0132248 5.7208743 0.41795328 -1.340609 2.6733716 -0.09981738 4.1428924 6.4498925 0.15343338 -4.7301464 0.17069426 3.7665646 -8.85363 0.3613057 -6.620742 -2.1941624 -5.374535 -7.051162 5.0001903 -5.8514495 1.2769703 -1.8370662 1.4233007 0.4160553 3.9781506 1.3286656 -0.30112714 3.428861 7.771858 11.447207 -5.071872 6.1403003 3.6829455 3.3416789 -3.106491 -7.459413 -7.73279 -8.397337 6.5460157 6.986928 -4.3660665 4.496932 -0.37790585 5.130405 -3.4086337 2.9482546 2.0657682 7.843862 -4.435832 2.0997121 -3.9452717 -0.49107978 2.9496403 0.5271766 4.5063753

Laricitrin is a monomethoxyflavone that is the 3'-O-methyl derivative of myricetin. It has a role as a metabolite. It is a pentahydroxyflavone, a monomethoxyflavone, a member of 3'-methoxyflavones and a 5'-hydroxy-3'-methoxyflavone. It derives from a myricetin. It is a conjugate acid of a laricitrin(1-).

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Sodium selenate is an inorganic sodium salt having selenate as the counterion. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an anticonvulsant and a fertilizer. It contains a selenate.

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Pentoxazone is an oxazolidinone that is 1,3-oxazolidine-2,4-dione which is substituted on the nitrogen (position 3) by a 4-chloro-5-(cyclopentyloxy)-2-fluorophenyl group, and at position 5 by an isopropylidene group. A protoporphyrinogen oxidase inhibitor, it is used as a pre- and post-emergence herbicide to control weeds in rice. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor, an agrochemical and a herbicide. It is an aromatic ether, a member of monochlorobenzenes, a member of monofluorobenzenes and an oxazolidinone.

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Tigecycline is tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms. It has a role as an antibacterial drug. It is a member of tetracyclines and a tertiary alpha-hydroxy ketone. It is a conjugate base of a tigecycline(1+).

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3,4-didehydro-N(4)-deethylbrinzolamide is a sulfonamide consisting of brinzolamide lacking hydrogens at positions 3 and 4 and also lacking the N(4)-ethyl group. It derives from a brinzolamide.

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Diclofenac beta-D-glucosiduronic acid is a beta-D-glucosiduronic acid (beta-D-glucuronide) that is a metabolite of diclofenac. It has a role as a drug metabolite. It is a beta-D-glucosiduronic acid, a dichlorobenzene, a monocarboxylic acid and a secondary amino compound. It derives from a diclofenac.

-2.283275 9.010644 -1.8192337 -4.31345 1.5508448 -13.846191 -6.1389093 2.481831 1.30497 0.66171914 3.368536 -5.2886214 -3.4352431 5.1603575 4.2395573 -1.9894474 5.118908 -1.7063302 -17.650414 8.584975 -7.693083 -9.2535515 -2.4831865 -8.119923 -2.1645145 0.6484473 0.41865718 7.4129195 -0.0014376044 -5.9850492 -2.1023152 -3.0673943 7.140794 8.138926 6.0339475 6.9804845 1.6018641 6.1361904 1.8722963 2.169525 -9.315195 2.2532744 2.4936373 -4.6906214 -4.40675 -2.549704 6.3435693 -2.3118927 -3.510704 11.641305 8.613473 0.8063692 9.177803 3.7276807 6.0225077 2.4144344 -4.6407194 -0.13777585 -7.0958056 -0.7051127 2.9233627 -1.6905495 1.1123848 4.7059097 -5.748048 4.4572296 1.4383906 4.3662224 -1.9165151 0.44982526 1.5930897 7.342673 -5.9177847 0.9837577 -1.985799 -3.3799438 -8.674884 8.941039 6.5130486 9.305407 -1.5846691 -7.3863163 -1.6126106 1.8033264 0.67740893 -3.298056 2.7457385 0.8737998 8.782358 -1.7637701 -1.1272981 -5.559171 -0.81288147 5.3516383 0.00080959126 0.5022104 2.2836285 2.5648406 -7.1066284 -1.9840587 3.2867773 -3.8877358 -11.716505 -3.311335 5.6933656 2.04955 -0.69421995 -4.1384163 1.7653246 2.8969495 -5.3661947 -3.1986065 -1.9950079 -3.8212502 8.254549 -7.834856 3.4558144 6.1140876 2.999678 7.830171 5.663296 -3.7266266 -8.247417 -4.0433064 8.488429 -11.674156 10.799362 6.6384373 -5.1436005 4.7901 5.4876294 0.8781461 -11.486466 11.150737 15.273113 4.959991 -0.56942505 -5.731553 8.767056 9.478008 -3.0760148 -1.1656352 0.891381 2.9730499 16.074966 -12.082605 -5.850951 8.386245 -11.583908 1.7565761 11.692732 -3.3834743 -11.697272 2.1707125 -0.09929893 1.8892128 12.781956 2.066274 6.687434 -8.775029 -9.60401 -0.74827284 -8.005759 -3.3744142 5.120424 -5.1438603 22.48213 7.6254835 -8.620449 -3.11699 1.6221344 3.7177088 10.28216 -2.0431876 2.7446642 -3.5484254 8.639634 2.7365756 -7.3569074 -0.9576669 4.3768835 0.599387 -9.135627 -1.2295581 5.52006 0.4525048 -6.1024303 -0.20213205 -1.3024449 -0.9049824 11.458867 1.6830194 1.3044508 0.2989047 -5.1315804 -0.37384927 4.6844697 -0.72738355 -0.8554186 -1.482039 0.2560396 -10.100472 5.451649 7.637689 1.588647 1.2585701 -0.1841442 -0.10776366 6.229265 5.6811776 -2.703961 7.481079 0.19358717 -0.08675269 3.989329 3.4830813 -5.7165885 -0.1701397 0.9063144 -4.059201 2.6871867 -7.2434645 -7.690178 2.2992597 -6.5297046 -2.702374 2.0804272 -3.7672913 4.0472364 -1.7552905 3.7932909 9.602552 2.749655 -0.8311185 -2.8289185 1.986562 4.6853104 0.23407248 -5.809576 0.013829961 -1.6441677 -6.5044622 -4.2153945 2.187124 0.8226294 -2.1092684 5.3122926 -2.020275 -6.486195 0.53260845 3.6094122 6.52095 0.09161781 -0.73421 -2.5516453 2.3674016 6.0392284 -8.142656 -0.023439176 -4.2802916 -3.8518565 -4.1122456 -2.0873513 4.067923 -5.709929 -3.3548563 1.2660453 3.1826155 4.7579 2.8824701 2.6505194 -1.8070658 3.633219 9.436827 14.79627 -0.27636117 0.60480845 2.6837943 0.5801741 2.3879619 -8.671529 -7.4023604 -2.886512 5.5904403 5.641228 -3.3765566 2.921339 -3.6551883 8.122056 -1.4682552 5.760122 -1.082902 10.933362 -4.637137 4.1548786 -7.900212 2.183083 0.88125706 3.6647558 4.7299643

3-chloroacrylic acid is a chlorocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is substituted by chlorine. It is a chlorocarboxylic acid and a monocarboxylic acid. It derives from an acrylic acid. It is a conjugate acid of a 3-chloroacrylate.

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3,3''-dihydroxyterphenyllin is a para-terphenyl that is the 3,3''-dihydroxy derivative of terphenyllin. It has been isolated from Aspergillus taichungensis. It has a role as an Aspergillus metabolite. It is a para-terphenyl, a dimethoxybenzene and a member of catechols. It derives from a terphenyllin.

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7-O-methylvitexin 2''-O-alpha-L-rhamnoside(1-) is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylvitexin 2''-O-alpha-L-rhamnoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 7-O-methylvitexin 2''-O-alpha-L-rhamnoside.

-5.181622 8.645433 0.88550425 -2.4008288 0.0018743575 -22.609327 -5.662528 1.3906183 7.785858 4.34734 6.227109 -12.707891 -7.932872 19.463816 10.423193 -2.7183979 9.088273 -5.8750343 -30.345947 13.036049 -8.437576 -15.416785 -6.096069 -8.859509 -6.2315626 2.1544557 -1.3041031 12.0522585 -1.026057 -6.6529655 1.5637971 -2.4226015 7.3896685 10.175113 14.002649 3.786407 -2.902667 8.447647 2.3407543 -1.9653466 -9.614952 3.6349509 -3.499438 -6.491355 1.0215952 -3.4219658 7.830024 -0.5012697 1.5714693 21.140532 11.450598 -3.264894 10.330007 3.955089 10.275081 2.194965 -9.802167 0.92363757 -7.061006 -1.7040678 -0.6524919 -7.559573 -3.0271394 4.4872823 -3.3744192 -1.0539632 4.4448256 6.8743653 -1.9055005 -2.678612 3.3557112 1.748379 -7.1577754 4.475374 -2.2172725 -8.3877 -18.795986 19.552486 7.6217732 9.051904 -5.751152 -10.5723095 -2.5922534 1.3041366 4.331511 -2.3849204 5.8155985 -1.416287 14.579898 -7.1003876 -2.631177 -7.621249 -0.97786164 -0.45179522 1.0374774 -2.092192 7.3766656 3.4678845 -3.198484 -2.8146348 5.373353 -8.71735 -16.500896 -2.5509603 13.436831 5.331323 0.6007349 -3.2873082 4.201191 1.6844023 -10.209223 3.3689156 1.0556782 -2.9080389 19.419107 -11.109301 -1.5786872 1.3993256 11.426478 11.695737 11.635371 2.1494367 -12.935758 -5.6760764 11.727006 -21.106096 15.9468355 11.693001 -14.281409 7.0695896 2.5211537 4.2958307 -16.033539 12.043433 26.086405 9.664151 2.7394915 -7.045912 12.7492075 17.946894 -8.484805 -2.658194 0.17964873 7.5366144 25.948082 -9.509849 -6.7729316 12.101355 -15.608532 1.5696403 15.892346 -0.6782185 -21.302767 5.112787 -4.885564 6.218787 18.906916 6.501131 12.638324 -12.044734 -15.356055 2.2884095 -6.5833592 -3.417121 14.64609 -5.386094 30.550728 10.333916 -10.129286 -5.0264707 6.2611876 11.019716 11.555318 -4.381925 0.21161503 -0.8666114 12.148338 8.887943 -5.124435 2.5201185 -3.5605602 -0.60944724 -15.667282 -3.9882038 2.8269675 -5.662177 -3.662998 -2.053967 2.8118746 0.3393888 8.721691 2.1880195 1.6378136 5.9173493 -6.474558 3.6376715 4.2284665 -2.2782526 -0.72357047 -0.4198404 3.2213392 -8.980109 5.2687855 12.90067 3.6331232 -0.29933602 -3.3840265 -1.5750399 5.5460467 8.357808 -0.91005075 5.006064 -5.0041986 -2.8605924 -0.1686646 7.5102534 -1.0394522 7.197123 1.5984887 -8.419896 0.45263666 -12.307738 -5.480367 3.8181415 -8.3564825 -8.92657 1.6232867 -3.3616068 5.9428153 -3.6206036 4.8150597 11.463728 6.001482 0.16311753 -6.380739 -0.8595943 5.271257 0.872741 -8.762154 -6.7284904 -2.564439 -9.347723 -7.7876377 -0.88773745 8.4391365 0.008331859 5.804746 -5.0568066 -4.649121 -1.138267 3.5220904 8.257133 0.33083534 5.841056 1.1622252 5.8368993 3.4818876 -16.193413 -3.7437234 -4.0666056 -6.4184976 -7.8672566 -3.1703477 5.4972095 -7.044844 -2.4794698 2.5771854 3.8698132 6.832033 5.343816 4.817144 -3.7715364 0.5745152 10.68284 21.506166 8.110072 4.91561 0.91713816 7.3642545 3.3760426 -9.010546 -10.139681 -4.6185446 8.066556 12.281213 -10.723755 -1.49085 -4.514214 16.07089 4.730555 2.079018 -2.8177521 20.050474 -4.7343254 6.075561 -13.749477 0.47868294 -5.0906434 7.297192 7.5492415

Angiotensin (1-9) is a nine amino acid peptide which is formed when angiotensin converting enzyme 2 (ACE2) hydrolyzes the carboxy terminal leucine from angiotensin I. It is a anti-cardiac hypertrophy agent. It has a role as a human metabolite, a rat metabolite, an antihypertensive agent and a cardioprotective agent. It is a tautomer of an angiotensin (1-9) dizwitterion.

-2.9097533 17.791567 -1.7680067 -27.50841 1.8409847 -33.70129 -16.003141 10.773598 -19.17786 5.1618223 18.317545 -28.843605 6.3579745 0.728128 0.38467896 -12.072635 0.005954325 1.0845068 -28.917166 16.973543 -28.000328 -10.332947 -10.94199 -24.265207 -10.197329 5.1648483 9.893852 19.710033 -16.498571 -20.811186 1.593605 -10.053779 2.6335578 17.202868 7.4329066 11.00928 1.5462865 10.115343 3.7667406 24.06235 -12.067198 -1.6849946 -3.1131172 -3.0678582 -29.249605 -7.8047028 9.053475 1.3848056 -9.336255 19.109343 20.755857 9.577375 2.3683999 13.673059 11.050147 -3.758491 8.35639 -0.63965625 -11.172751 -6.99584 -3.84935 -13.384899 18.70336 13.684012 -17.0279 14.390578 11.00501 8.240158 -0.6574104 4.9509535 -0.31597477 21.01476 -23.453651 -2.3011386 -12.386135 0.143994 -17.77472 1.5131267 8.835 29.497805 -19.096428 -12.793794 -7.7647495 21.65309 11.814796 -12.468976 9.238273 9.507011 25.25584 -2.0221665 -4.9595904 -5.233003 -9.292203 12.138574 -4.5118732 7.238403 -2.268145 0.3317436 -22.78127 4.6939764 3.9655805 2.2022257 -18.900482 -16.327547 8.928989 -12.152275 -5.215598 -6.6228046 -4.3729477 21.221445 -17.70698 -20.930285 -19.49327 5.155287 14.45331 -13.087809 14.686334 17.335894 12.636558 21.015846 8.425037 -4.419876 -20.110687 -0.72221035 23.745937 -26.68756 34.284115 35.89514 6.0871596 7.750529 36.918037 4.359858 -27.004953 22.196436 24.660093 -3.4861062 -8.701748 -11.135357 34.940437 5.657378 -4.6976304 -10.679866 9.659057 22.431273 33.919025 -35.996002 -3.7787104 15.082217 -27.854454 1.7051791 15.419871 -3.8208063 -25.246382 4.9976583 -4.800272 -3.4227886 21.444342 10.102557 20.614037 -18.342587 -24.87939 1.9081911 -16.313498 -23.411928 10.560428 -27.95332 42.52119 11.6998205 -12.482715 -4.3727303 -15.541781 11.957301 14.630355 1.6782966 1.5370859 -16.33131 32.557247 26.039698 -34.848915 -36.727226 26.785397 -5.580432 -17.313055 7.519269 26.665413 5.770973 -15.614854 7.8690047 8.466097 18.833479 38.9145 17.954512 7.0198126 -18.424675 -16.184784 0.8710898 10.619851 5.392319 4.7178516 -9.10806 -5.684897 -26.30611 8.294848 14.238328 -3.4454534 -0.58292824 18.158602 11.7147455 22.233688 21.107008 7.144232 9.558137 7.494923 2.0439546 14.332023 14.899968 -23.041471 2.830515 6.90004 -0.53395784 7.1464972 -8.864251 -19.782997 1.1960689 -32.83351 3.7365687 -0.4705472 -2.7921593 -19.43249 10.138068 -3.4919822 13.370586 -18.297289 -11.608025 9.958013 12.907394 9.695358 1.2828598 1.9344807 4.3992977 12.082541 -4.2237535 -7.925429 -3.7357686 5.2729516 -15.546635 3.2366035 -1.4337499 -17.307604 11.270722 24.443542 16.520771 1.0375161 11.684393 -16.683355 7.566695 24.851477 -17.489275 7.213611 -8.625637 1.4711852 -16.969221 -11.987721 4.525552 -4.2269 0.8001754 4.589067 14.138149 20.558529 -3.5312188 -6.596795 -0.77342457 7.029729 22.003813 31.859783 -17.446184 2.3476577 8.061089 -12.096826 -5.9074492 -19.078281 -9.288917 -9.794261 17.48052 24.697512 -6.877653 7.243846 0.9300777 11.815898 -11.214904 31.596478 -2.0930345 18.764654 -15.186326 -5.976661 -20.638676 3.4468188 -0.5988214 12.228074 11.367623

3'-dehydro-ATP is a ribonucleotide that is the 3'-dehydro derivative of adenosine 5'-triphosphate. It is a ribonucleotide and a secondary alpha-hydroxy ketone. It derives from an ATP.

3.139435 15.604103 -0.14304802 0.21251428 5.0264864 -17.07493 -1.7769947 11.327123 9.954363 6.461217 7.5626607 -9.978328 -3.6775317 12.676729 4.4318395 -2.3811092 4.3397117 -0.20645858 -21.72983 9.595135 -11.108633 -9.396103 -15.339168 -2.89298 -10.5799465 0.9717663 -3.6323717 8.777646 -1.1834106 -7.7540274 1.4272244 3.3156252 4.3837237 5.191516 14.127545 1.4707785 3.2979238 8.08597 1.4005944 -6.147787 -7.2647166 4.641354 -4.6114197 -6.1792192 -10.516761 -0.27628207 4.9422545 -0.2351056 0.9202529 2.657661 12.359731 -4.004005 6.586002 7.008745 10.051807 -3.969328 -2.9375288 -3.8590262 -8.54514 -8.108324 2.1171367 -4.6306868 6.0246634 7.893815 -4.9733825 0.624849 1.942114 2.3765507 4.499306 3.2921445 0.9049885 3.1890144 -13.81891 4.4919977 0.66584766 1.7853235 -12.060217 9.464777 3.7834184 4.1959043 -1.3969172 -5.738599 1.7217509 3.6336143 -2.892498 0.34555766 11.624355 2.161916 8.817106 -9.082918 -3.1350954 -3.7105997 4.942058 -2.1646059 -6.4935684 -0.081739224 10.105797 -2.6446435 4.2519875 -1.5758861 6.1258025 3.6713135 -11.275093 -0.3943251 2.9690113 -2.7523668 4.9884853 -0.9766304 4.3868885 11.660284 -9.908886 -2.3792844 -3.9795632 -3.0341353 13.051132 -1.5238461 -0.7233142 -1.240405 11.842705 5.9424424 11.009994 -1.1510721 -21.944307 0.97033334 8.757033 -11.043256 20.11096 8.314575 -2.4464605 11.683659 4.79081 4.454689 -12.704368 11.631363 21.464302 1.5888659 10.366862 -0.22913375 14.322503 12.913043 2.5229478 -2.9577022 1.3885393 9.102683 15.855724 -9.155679 -3.726256 17.8817 -15.687709 2.0163836 13.062723 0.7901852 -21.199736 -0.09119722 -3.820928 4.2096148 15.349946 12.448084 11.969522 -7.2193756 -4.113526 0.5662746 -18.090258 -2.888744 3.4959779 -9.732726 22.70348 4.4091115 -7.2260776 -4.3655887 5.515866 3.669327 11.728767 -7.1846666 -0.03496427 -4.3484445 11.275394 1.1294779 7.6527634 5.024957 -4.18578 -0.80029213 -2.8066556 -5.2300377 9.969982 -2.0676248 1.2633032 -3.5993588 0.32270366 -6.539164 11.118893 4.810679 3.3067951 -2.540882 -4.326419 4.896011 1.2798842 -6.698763 -5.1238637 -1.4716163 -3.934529 -7.6146255 9.1276 11.087095 5.8179016 5.413268 0.7592365 -6.1462812 9.011676 9.546199 3.768412 3.9520993 -0.3397312 6.90166 -1.4614885 7.6555047 1.9606102 7.716204 6.730564 -2.3301277 -4.365453 -15.460046 -4.687673 4.571873 -6.300019 -9.723775 -3.2957675 -3.50341 2.5683777 -5.8255644 -1.0762008 7.9488473 0.054130703 0.14199215 -3.750839 -0.8148398 9.830255 -3.729489 -2.3750973 -5.1076736 1.2136312 -4.9467607 -4.46601 -2.1536307 8.353505 -2.2216516 -0.7221983 -5.1322055 0.46798134 -5.025108 6.73389 5.081088 4.237469 1.3003422 0.9051703 8.009404 -1.687967 -14.909538 -4.4650917 -0.63857585 -5.1714015 -3.6048398 -2.0536547 1.7019491 2.2146676 -4.2391977 2.657425 1.007548 -0.40871733 -0.87629175 1.586988 5.852609 6.987554 -6.7725444 14.88323 4.2536716 1.5526583 -9.174843 -0.97884613 3.6083083 4.259162 -7.5522695 -4.8015037 0.7660812 4.4134545 -12.141582 -0.27922738 -6.3723235 3.3087866 -4.7367477 3.2157886 -4.7171903 7.792496 -5.6909914 1.2169288 -7.5547776 -4.070484 3.8343842 1.2208096 4.9341726

3,4,5-trimethoxyphenol is a member of the class of phenols that is phenol substituted by methoxy groups at positions 3, 4 and 5. It has a role as a plant metabolite. It is a member of phenols and a member of methoxybenzenes.

-3.7969992 0.10712484 0.28037417 -0.5275805 -0.365057 -4.4664392 -3.6677442 -2.5887082 -0.4812973 0.28094727 6.265663 -5.5993357 0.6850809 9.624557 5.142333 0.5237809 2.5794446 -0.10298541 -7.818583 5.4007645 0.028183281 -2.0945723 2.2598996 -3.191348 -1.3325578 -0.5896857 -1.8000848 5.930389 -0.62957495 -0.42903972 2.6325881 -1.2836615 2.5496254 3.5167773 0.49133953 2.5595684 -0.5978747 1.3514451 0.9692619 -2.3201573 -0.03413698 2.869141 -2.0194263 -4.768652 3.4424813 -5.30919 4.0122285 -4.538483 3.112581 3.6324782 3.4868264 -2.5959373 2.0997996 2.2639098 0.11189575 2.1403463 -2.6911342 -1.5603681 -2.8858075 -2.019739 -3.433576 -1.6980971 -2.7247121 3.8529775 0.99908566 -4.4003954 1.0302029 -0.43390402 0.3033556 2.7186344 1.6250552 -0.10069496 -0.3031342 1.8363341 -1.4610535 -1.8251687 -5.490674 7.2608185 4.177317 4.7534914 -0.9502209 -2.9168527 -1.3485072 -0.19017157 1.8329921 -1.1285019 -2.7555733 -3.5340228 7.8085537 -1.35565 -2.4359927 -2.543845 1.7410969 -0.020821497 2.9664047 1.8771815 1.805368 0.8134106 0.013126224 -0.716009 0.6666757 -5.285627 -3.7668014 -2.3244731 0.9504513 2.9692326 0.052264605 -6.1635823 1.8797355 1.2276765 -2.2676628 -1.7145826 -3.538422 -0.33063453 4.2204123 -1.3444011 1.0969254 -0.28337932 0.52908486 1.2561777 3.3394778 0.41343045 -1.1212335 0.07007672 4.6072383 -6.1256013 3.9552846 2.4156847 -4.144471 1.4733311 1.217858 0.5468952 -5.6107855 0.8355546 5.6373024 3.3183537 -0.074869215 0.08606404 2.6199367 4.1076922 -3.634231 -0.8260387 -3.1390128 0.8886592 5.5976105 -5.4506574 -1.15994 -0.36538965 -2.4137475 2.1738484 3.8377342 -0.9407308 -8.085603 2.6234431 -1.5758339 4.0747833 3.9218993 -0.34330785 2.1276047 -4.7076783 -4.5545635 -0.046842672 -1.0786285 -0.96640986 6.4066195 -2.4241366 5.431134 4.9918923 -2.0947995 -1.7556365 2.4912648 1.7866925 2.7217717 -0.8438168 2.55058 -1.4865545 2.5221982 3.004677 -3.3214095 0.14284165 2.2471948 0.23092893 -3.576972 -2.2499847 3.2244196 -2.4888783 -3.9527833 2.0728667 0.4288586 2.184612 0.021528572 -1.6078277 1.7505636 -0.6509305 -2.2761667 0.13955054 1.5892804 -3.4470181 0.603728 -0.77420247 2.437189 -1.6524155 2.488774 1.784822 0.10892485 -0.8534677 -2.0654256 0.28105253 1.8790125 2.2852526 -1.7914481 2.2162242 -0.41696548 -1.4786397 2.3757463 0.43141648 -0.43813345 3.8325474 0.56813 -0.7774869 3.2101073 -4.3485956 -2.7433326 0.42169455 -3.909025 -1.8828447 4.290613 -0.8385002 -0.4225594 -2.3996115 2.2331727 6.011204 -0.5031799 -2.4773932 -0.56710565 1.1492237 -1.802175 0.4626852 -0.64438117 -1.2404051 -0.03143335 -1.0941042 -0.64717996 -1.0326073 1.0230486 -0.39510152 1.7771504 -0.9828035 -0.89911854 0.47840965 -1.7512182 2.5801446 3.8057837 0.041234262 -1.7829926 -1.0765159 -0.59651506 -3.1279857 0.623518 -2.1444468 -1.7395034 -3.3524375 -3.0077267 2.6496809 -2.7488399 -0.1784288 -2.1163173 1.0821314 -0.5933847 2.6209197 1.1960198 -3.3621016 0.94926465 4.724749 5.4120355 -1.8764007 3.0431612 2.8308384 2.8884075 -0.7849264 -5.859962 -3.3239887 -5.890672 4.105522 4.715703 -2.2627757 4.0538197 0.0677499 3.14977 -0.6519181 0.84724396 0.9735601 4.995583 -2.5123515 1.4918731 -2.173485 -1.1959748 -1.6563478 1.5022527 4.279415

Chondroitin D-glucuronate is a mucopolysaccharide composed of repeating beta-D-glucopyranuronosyl-(1->3)-beta-D-N-acetylgalactosaminyl units. It has a role as a mouse metabolite. It is a conjugate acid of a chondroitin D-glucuronate anion.

-3.003727 5.6471972 2.3282292 -0.8903277 -0.56442225 -18.241533 2.501415 -0.43521035 10.0482855 3.8366535 -0.9742949 -4.352793 -7.8139453 3.5541441 3.459619 -1.895849 4.3798723 -7.5291443 -18.806805 9.428181 -5.167654 -13.252347 -9.138755 -5.1219554 -6.445404 2.0115564 2.805397 4.8380456 0.8935085 -4.8960457 1.4868027 -1.1829579 3.4587665 8.456076 13.464604 1.6280048 -4.241947 8.053664 3.176644 1.6103758 -9.292558 4.433318 -1.3808181 0.74479926 -3.0975819 0.15087672 -0.7316665 5.7229934 -2.1177237 17.465084 6.261847 -2.1848378 8.266132 2.18053 13.121236 0.85860616 -3.508389 8.561112 -2.6841426 -2.0510058 4.6467547 -6.2317085 1.6662022 4.569212 -6.9573464 1.1942936 4.6102233 4.160855 -0.6653459 -5.687683 1.7066952 4.434908 -9.908991 2.4707491 -0.5924767 -6.8033013 -15.084223 8.782477 0.33771592 2.8534577 -8.520239 -7.652335 -5.0655365 3.5010498 5.34285 -3.0975153 6.344776 2.7860365 6.351758 -2.1268914 -1.3350083 -0.43421292 -1.1086571 4.998855 -1.998499 -3.6413984 7.4915395 2.181536 -0.5297275 -3.8123696 8.010076 -1.5692023 -11.985432 -0.7293776 7.8611426 2.909795 -2.8051233 0.8513883 0.9591425 4.1610603 -6.7278986 4.522 2.6768649 -1.6275754 11.446989 -8.850584 -2.6485255 6.043185 8.5855 7.4425244 7.2067585 2.4021676 -8.885301 -4.3831205 5.9925084 -15.19275 14.4638405 7.6419845 -11.18984 7.0158987 0.2068621 4.6509476 -11.219604 14.096171 18.401102 3.401002 3.9212341 -2.6230428 15.408261 11.457055 -6.1379027 -0.8526873 3.2406678 4.3452234 18.636566 -7.9892726 -6.9003706 13.355937 -10.260622 1.6335227 7.0132003 2.6952934 -7.975773 3.2683387 1.0833117 4.259138 16.347227 7.3806257 16.514557 -4.3693547 -16.820127 0.88111377 -7.3862977 -0.77290475 4.3485904 -3.2489321 24.349743 7.268456 -10.472454 -0.74739695 6.7282505 9.4886675 7.6030126 -0.85440826 -2.633411 0.38745564 12.255944 11.885386 -3.56182 -1.460721 -8.056817 1.1656296 -9.949238 0.36389172 1.1210598 -2.671968 1.590878 -6.7858424 2.949153 -0.64341533 7.296296 4.4136558 3.3606584 5.326835 0.27555323 5.882002 3.1244242 1.6284733 1.8487918 1.1978714 -0.5021054 -1.3139763 4.5164638 11.869365 3.3125536 -0.39699543 -0.07296479 1.146807 0.63648224 6.769599 1.866563 -1.5637687 -5.785139 -2.5601406 -2.4604092 7.1803994 -2.9509504 -0.80185264 4.5151386 -4.5273056 -1.8699604 -0.46265587 -2.4650707 8.507461 -3.827604 -8.052264 -7.6459155 3.6369302 2.7949872 4.161124 0.15076332 2.8870068 1.0577316 1.4831493 -1.882228 1.8352288 8.107555 -0.807204 -11.337707 -5.1547766 -3.01561 -0.9636185 -1.7765255 -1.3071413 6.170133 0.86707497 1.9927616 -5.2671885 -3.155494 -2.4639456 4.1674004 2.9297218 -6.0720196 5.470103 5.101867 7.247185 1.2200464 -12.189226 -4.4111648 3.3953261 -5.7049737 -5.533949 1.735381 -0.4244285 0.62069374 -2.8694675 6.360116 4.707202 8.967527 -1.9324416 0.5547519 0.76107585 2.0846274 2.2360094 12.312491 11.44955 -1.9998884 -5.4952817 5.3208694 5.694161 -0.871007 -1.7739613 3.4358108 -0.0111016035 8.013853 -7.8702345 -4.666727 -2.7815933 10.219425 3.1328642 6.0660195 -6.799311 14.612331 -2.031585 2.2520733 -13.932095 -1.9226553 -3.9512923 8.044449 3.4331758

Delphinidin 3-O-beta-D-glucoside is an anthocyanin cation consisting of delphinidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. It has a role as a plant metabolite. It is a beta-D-glucoside and an anthocyanin cation. It derives from a delphinidin. It is a conjugate acid of a delphinidin 3-O-beta-D-glucoside betaine.

-3.7262897 5.150054 1.1535931 -3.7773135 1.2504641 -17.552645 -4.6007767 1.3625419 4.668038 1.9053634 8.289292 -11.833643 -2.8759646 16.746773 12.368683 1.1206297 8.979095 -3.3034444 -23.840548 10.04009 -5.651297 -13.821353 -1.0652828 -9.37677 -0.5295211 1.359019 0.3502271 11.170061 -2.1425214 -3.0869977 0.47191674 -1.0796603 6.7754292 7.417829 6.7227216 3.7082243 -2.2145267 5.862683 2.6082673 -3.190559 -7.256408 1.3467549 -2.4443064 -7.9107914 3.6109073 -0.9124908 8.64805 -2.049458 3.4686418 18.544128 8.606299 -0.5345071 6.853823 4.4505153 4.0886893 4.4009404 -10.644432 1.0465118 -3.707264 -2.502777 -3.3885021 -7.481893 -2.322116 3.5764868 -2.1169202 -3.508856 2.8913567 3.8704677 -3.7638366 1.8811582 6.5416536 0.27272782 -3.705593 2.8933048 -3.6269438 -7.9893885 -14.126449 17.08509 9.339379 8.079176 -0.9511947 -8.249771 -2.9299655 0.3943016 3.694342 -1.9203455 2.7490165 -2.4938016 14.563629 -6.230962 -1.0005885 -9.24031 -1.2683922 -0.18459447 3.3416607 -0.2323105 5.5377393 3.0141823 -6.6474347 -0.081262395 6.142698 -9.530869 -15.092031 -2.9423816 10.60749 2.7006197 -1.7150398 -1.854476 4.6335363 -2.9583564 -8.67934 0.98836994 0.07092524 -1.3366954 15.548712 -9.748142 -1.2967099 -0.37142372 7.4282336 11.83959 10.066149 1.3277748 -11.692732 -4.515339 11.17943 -14.857571 10.037463 10.279325 -12.289259 4.1256375 0.52604705 3.0457869 -13.685591 3.3996935 21.726603 9.771182 0.061228454 -7.817803 11.710348 13.796733 -8.472748 -2.4314318 -0.60408425 6.725081 20.858929 -11.212823 -5.291158 5.577869 -12.088253 2.5824661 14.402013 -1.5012953 -20.44355 4.620461 -5.015327 8.433952 15.037574 5.1387014 5.6752157 -10.697381 -9.65436 1.6844857 -3.5525122 -4.103509 12.806474 -4.59224 23.476685 6.6333675 -3.780901 -5.8164496 2.1672735 7.380279 11.360056 -4.930354 1.279417 0.9491899 9.680779 5.5141435 -5.574073 4.254856 -1.1281595 -2.6437 -15.29486 -4.463965 5.617974 -4.8470387 -3.852182 -0.35726583 0.05602771 2.4678369 8.010904 1.4843644 2.2572947 4.305762 -8.884013 3.0524068 5.171673 -2.9912271 -1.4341798 -2.9443989 4.36791 -9.638768 6.1583085 6.6151667 0.07277234 -2.3953862 -4.226706 -1.1395307 5.107832 5.4196568 -1.0612167 6.729273 -4.1761875 -2.2307165 2.074975 3.2479491 -2.0395489 5.8982954 1.7010154 -7.6454015 1.4266515 -9.389521 -5.191418 2.4615748 -7.051951 -6.400847 3.7633815 -2.8404496 3.7524195 -5.020797 5.3549194 10.307893 4.6613545 -0.63207614 -6.8339696 -0.6362106 1.4646819 2.0164647 -5.4774528 -5.7826843 -0.48717463 -8.318426 -6.0403547 -0.08390927 7.374446 0.07991565 2.4278495 -4.0400205 -2.3224664 1.7605168 1.4921638 8.705505 0.63598114 5.106468 -0.804295 2.6709876 2.2829702 -13.333564 -0.98497546 -4.431098 -3.2847407 -8.7643175 -3.714739 4.758194 -8.267427 -1.0654733 3.147681 2.6898477 3.9232924 5.432009 4.7018366 -3.0128846 -1.4454415 14.107405 15.593045 4.417189 4.839573 3.5971274 6.4461513 1.9200618 -8.1277895 -8.894908 -4.317746 5.6400666 11.747542 -10.134886 2.0762124 -2.9469144 12.849306 3.8845313 1.4491287 -1.2319934 13.972761 -2.1633306 4.567248 -10.195562 3.351724 -6.0790105 6.865734 4.368361

5'-d[CCGTCCATAATCACTCGC]-3' is a single-strand DNA oligonucleotide comprised of four deoxyadenosine, eight deoxycytidine, four thymidine and two deoxyguanidine residues connected by 3'->5' phosphodiester linkages in the sequence C-C-G-T-C-C-A-T-A-A-T-C-A-C-T-C-G-C.

65.93185 162.26198 -25.49371 3.213389 42.137825 -182.81519 -52.322296 115.73254 102.594925 66.66656 82.354485 -120.56552 -21.489607 169.6309 29.1073 -22.811941 62.071728 3.234219 -255.5765 123.15977 -91.08895 -96.98638 -145.55696 -50.763966 -109.22728 0.116647005 -32.613644 118.8511 -14.65039 -106.13355 13.021052 32.50017 35.59473 75.60105 151.1752 5.804094 28.926575 86.11673 -0.9892898 -76.96375 -62.697315 71.522705 -7.8543234 -45.980717 -101.94859 -11.249784 43.147602 2.5775914 16.513636 44.636803 117.08542 -60.85246 56.456383 67.22704 86.294876 -55.554924 -34.76012 -54.244507 -100.418976 -58.228558 31.048723 -31.931442 47.31189 101.35669 -69.71388 -10.2894125 11.408569 49.916374 45.367397 3.6053946 10.327699 30.133585 -126.46682 47.94296 -9.278266 18.435394 -138.69054 122.77298 56.024395 62.478306 -45.321262 -91.07277 39.918297 52.154213 -41.531418 -14.661893 118.925606 33.977745 105.2035 -107.73725 -34.367916 -33.61288 37.00724 4.464804 -62.73218 7.224698 86.79927 -43.407726 14.677723 -28.691473 23.455048 6.0239596 -133.91702 -16.23408 70.96161 -7.220608 57.479073 -52.788517 16.733671 132.37798 -95.92349 -21.67635 -31.788515 -24.70734 155.14859 -39.24032 0.87785506 -4.485152 128.6602 71.44604 118.25115 -21.567614 -218.62384 -15.835877 115.142235 -142.11224 212.74489 84.49815 -26.067774 125.57058 62.822 34.99983 -156.99141 142.82388 230.15108 19.097902 101.954216 10.476488 117.9011 155.96487 32.875504 -33.695198 19.5761 79.14316 203.49448 -51.38459 -50.230625 203.49309 -148.67912 27.719498 139.36183 14.522564 -213.10757 -22.919508 -43.31423 59.505096 165.01184 134.13843 119.477264 -87.888306 -85.94269 -37.47592 -214.28781 -32.884686 22.900969 -107.14192 266.12207 76.90544 -86.783005 -38.177895 59.722946 -0.5309857 121.53885 -64.20631 21.978376 -35.090294 124.74644 31.160728 68.28448 73.29878 -21.333612 10.377194 -20.857145 -40.36038 107.79182 -32.972008 2.1922987 -50.719444 13.390395 -61.803513 126.67303 15.59109 6.129204 -21.013762 -50.204712 74.8817 -18.945322 -65.200516 -47.034767 5.166286 -11.482709 -82.46877 71.12405 96.86741 88.734245 56.02753 22.552126 -89.44559 75.65928 87.21399 49.76971 42.78511 -28.423388 92.2749 -16.66856 93.70765 32.62295 70.207405 21.440638 -57.61357 -34.89463 -192.74844 -57.514484 28.581392 -91.85729 -105.2157 -54.598347 -59.659977 48.296158 -61.150265 17.654303 82.47628 10.94421 15.418437 -43.950077 14.906285 117.83577 -9.39225 -19.33823 -53.13427 28.466108 -88.58804 -62.16555 -7.625199 53.280807 -30.706749 26.371252 -60.881294 -14.088161 -29.666834 71.84926 68.430336 50.069004 -4.3379507 8.3266115 108.95747 -16.62749 -175.30313 -52.777187 -25.612442 -50.714153 -25.4123 -44.95824 34.597897 2.4862864 -54.015263 17.909845 11.922817 2.6946914 13.424363 19.78737 63.846497 68.35882 -61.330654 175.69304 38.70334 50.04914 -101.80981 -8.2014065 26.605171 46.092113 -104.76033 -43.154808 18.456831 37.216923 -131.80605 -16.21681 -75.32191 38.47948 -48.92028 3.969937 -63.637268 148.05028 -51.366116 15.310573 -98.276535 -46.058224 24.886475 -5.2766547 50.638012

Sphinganine is a 2-aminooctadecane-1,3-diol having (2S,3R)-configuration. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor, a human metabolite and a mouse metabolite. It is a conjugate base of a sphinganine(1+).

1.4696411 4.349555 1.5515133 -6.560952 1.3105066 -5.275215 -3.1282578 4.6801343 -5.3983464 2.8908775 4.98003 -9.651606 -0.19870862 -1.8285944 -2.3490944 -3.134214 -2.7308946 2.9942944 -9.592114 0.42556706 -5.9212394 -4.1527376 -0.6900664 -10.905804 -1.9863877 7.0194964 0.2796835 6.036497 -4.6091137 -5.359627 1.7812209 -4.464555 -1.1401582 5.0266557 6.4753866 4.859631 -5.7002206 11.465818 -2.8797398 5.935742 -2.7341096 -7.9859285 -0.92620087 -1.9420241 -8.544261 0.21777467 -2.7980692 3.8544724 -0.9358436 7.0205445 5.6346955 2.9960706 4.1435156 4.161171 3.6379037 -5.533264 2.877333 -0.5907978 -0.041391805 -3.6670964 -2.389603 -10.063744 3.4527085 11.511229 4.2421145 0.7997228 0.47628868 -0.3426265 0.46286452 -1.1173048 -0.40541834 -0.58632857 -4.002263 4.468285 -2.519582 0.6699338 -0.30009452 5.5253687 0.6842347 1.6419568 -6.908547 -1.7778078 0.7913422 6.220869 2.7376525 -1.536509 4.7001944 3.0651214 11.274895 -4.082847 1.8835361 3.6964035 3.3878646 -1.2917446 1.6215262 1.1001672 0.29014415 0.71687 3.140637 6.477923 5.5099764 4.535073 -4.383095 -1.5791972 -5.9133 3.0014966 0.86576474 4.211029 2.2908657 6.4892335 -4.079589 3.289637 -6.8694234 -1.8639821 2.7162251 -2.0337393 -1.5441369 3.6390586 5.7469425 8.471247 8.914919 4.2009954 -8.161367 0.16444437 1.9368298 -10.459039 5.886907 9.845908 0.23013282 3.6070836 9.966635 -4.4789543 -3.3133328 3.8529038 6.586932 -2.7101722 2.797442 2.6130686 12.537547 -1.8346437 -6.2099247 0.8708925 1.3244233 4.6328416 10.518773 -12.585014 -4.4108505 9.437915 -6.6960406 1.9354378 3.1811147 -0.08487412 -6.7811394 3.310272 -4.178796 3.5350595 5.897897 9.199571 11.732827 -0.57903516 -7.241987 1.2554926 -4.997784 -6.6604514 6.249676 0.99667734 6.8186736 6.4496913 -2.5422761 6.399081 2.5062013 8.394604 -0.79091793 -0.3346488 -2.905444 -0.48886913 12.785122 5.736442 -11.15315 -12.711969 0.31387776 0.27815104 -5.0376773 1.2944053 7.1518106 3.7601798 -0.32685515 -0.044675298 6.065174 7.788084 2.572215 10.69451 -3.083274 -1.0780029 -0.33954564 2.3042097 0.47918928 5.7621245 4.021372 0.5321957 -4.6374574 -0.57686883 3.641522 2.7392757 3.1629138 -6.5594196 -0.24400267 -0.16402325 0.39915174 0.5531115 -1.808696 -0.8701303 3.6343226 -6.254925 -0.8685555 0.551318 -5.9988832 -0.25796193 7.6294026 -3.9604557 -3.158265 3.701488 -3.3059056 4.665081 -15.804654 1.4042233 -5.437667 0.1602546 -6.3163056 7.0964804 -0.1797082 2.1160736 -4.958552 -3.295498 1.5556931 -0.53989977 9.228695 0.87115794 -4.0519795 0.3600089 -1.072568 -3.3548362 3.4104145 -2.2239854 4.7523327 3.310204 0.5927286 -3.0354626 -3.5486753 6.042456 5.4301577 -0.1249301 -0.9677972 3.2503865 1.5258824 -2.947465 4.642222 -6.976752 -5.6913276 -2.0245934 1.0043631 -5.018541 -0.07090479 -3.100616 5.598904 0.33933538 1.9422297 -4.915842 7.134133 -2.942306 -3.8648746 -3.301245 -0.7678844 0.60736334 2.8218563 9.528698 -3.1391425 -4.0964403 6.1245065 -3.2982633 -4.3336225 -1.5593699 -2.137214 -1.6238979 8.894585 2.1231518 0.50542045 0.46627492 6.1473536 4.457016 7.118475 1.3889616 6.3182592 -2.045201 2.1225376 -8.398678 3.5527215 0.06156361 3.5578358 4.808658

Myricetin 7-O-glucuronide is a myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 7-position. It has a role as a metabolite. It is a myricetin O-glucuronide, a pentahydroxyflavone, a member of flavonols and a monosaccharide derivative.

-3.4831839 4.8692236 -0.85740745 -3.3051908 -0.40129146 -17.735178 -2.8899214 3.2960632 7.203655 1.5682921 7.5209093 -11.533329 -4.3550634 14.885687 10.50638 0.29357487 9.596399 -3.5756729 -22.561274 9.821261 -6.798166 -14.031045 -2.6448064 -8.501679 -0.098415 0.33045405 0.5785068 10.808711 -3.0813172 -3.333317 -0.65271765 -0.019734621 7.34207 8.414649 7.921465 4.994095 -1.8106585 5.9634647 3.7346191 -1.5410498 -5.807299 2.547523 -3.4176726 -8.713865 3.0608525 -0.93458015 8.308644 -2.3400779 2.646956 17.457958 8.608862 -0.41630757 6.053871 5.538808 4.170143 4.941452 -10.030526 -0.32807478 -3.8325405 -2.716757 -1.8081446 -6.953536 -1.8543695 2.9853914 -4.1125913 -1.1625277 3.6859312 5.4678073 -2.4414828 3.6874785 6.1008053 -1.4057591 -4.870986 2.26744 -3.7938027 -9.845696 -14.287477 16.711725 9.333648 9.819476 -2.2961588 -9.786417 -2.551823 1.561875 4.148595 -2.2598186 0.7223933 -1.0452803 13.190914 -6.1756554 -1.917795 -8.486652 -2.3889086 1.6843673 2.405152 -0.97234654 5.478556 1.5786338 -5.6237264 -0.97606564 4.1192694 -10.38745 -14.42301 -1.8271106 10.447133 3.1768126 -2.174699 -3.5981205 2.7720027 -2.4367712 -8.693232 1.3776178 -0.17680228 -0.35027397 13.067129 -9.010214 -1.7467445 -0.4834268 7.852701 12.55374 9.338295 1.7192292 -10.749046 -6.4017196 10.78855 -13.395004 11.914039 8.629216 -13.282218 4.818166 1.6396557 3.136898 -12.927983 5.144832 21.578487 9.295896 -0.14688984 -6.1472363 11.534534 14.529937 -7.2520666 -3.9151967 -0.93177307 8.268375 19.627625 -10.575471 -5.1680427 5.7203164 -10.816708 1.1131692 13.4053335 -2.1844668 -19.520844 3.8953404 -5.024785 6.990135 15.137953 4.705595 5.8196583 -10.604327 -10.72409 2.0164642 -3.9091108 -4.3822865 12.712965 -5.85581 24.84811 7.903835 -5.703632 -6.3263383 2.5544903 7.1611457 10.666799 -4.339328 -0.031389263 0.7633301 9.397123 5.499815 -5.6151757 5.0092773 -0.53907835 -3.0748684 -16.41993 -4.3459487 4.9526744 -4.79551 -4.852284 0.9229801 0.2877531 1.4149388 9.45579 1.5803345 3.2650654 4.420679 -8.773746 2.1882823 6.0568724 -1.8808081 -2.1347544 -3.0961456 1.4072883 -9.2138405 5.400055 9.01214 -1.0497859 -1.4525565 -2.214445 -1.2667656 4.7876987 5.0270066 -2.141411 5.927828 -3.837737 -1.7880763 3.8042154 3.5320153 -2.7047017 4.692299 0.5185547 -7.099731 0.41712087 -9.125457 -6.3628917 2.118556 -7.0131564 -6.546488 5.0381064 -1.8702538 4.2881794 -5.6269293 5.324839 10.5087185 3.616921 -0.9631432 -7.099362 0.072635725 1.7744983 0.6460693 -5.370959 -6.1316032 -0.7476006 -8.541278 -7.58309 0.45681655 6.248056 -1.4594903 4.435435 -3.2144752 -3.2058325 0.52242786 3.192902 7.7703195 0.49273777 4.007252 -1.3334665 2.92058 3.5045395 -13.70079 0.79957837 -4.3718834 -3.0151703 -8.97693 -4.2969003 5.5716686 -8.585818 -0.6722036 3.6028376 2.268689 4.749516 5.208133 5.872953 -2.492693 0.0075497404 14.387064 15.388608 4.3612185 4.592707 2.7741513 4.774406 0.38615313 -10.063054 -8.498907 -4.0387573 5.256601 10.612014 -10.541678 0.68674946 -1.8884192 13.405377 4.6062837 2.5665495 -2.740483 14.355981 -2.267537 3.2757413 -11.241929 2.9617622 -5.839316 7.1437902 4.4678426

P-toluic acid is a methylbenzoic acid in which the methyl substituent is located at position 4. It is a conjugate acid of a p-toluate.

-0.8546934 2.697005 -2.159438 -1.7146437 -0.40166157 -3.4534698 -2.483388 2.614412 -1.3475318 1.2661378 1.863281 -3.2894564 0.9493515 3.0587602 1.6919513 -0.87248796 1.388851 0.16055247 -3.7105176 2.158423 -1.8045913 -1.7391711 0.33759224 -3.5983765 0.9933966 -0.6644315 -0.3410307 3.2804625 -1.9087139 -3.038682 -0.31769764 -0.78890926 1.7945006 2.5728385 -0.26631096 3.34801 1.4287864 1.0270118 0.0067689605 1.0604521 -1.2953438 2.605089 1.4730784 -2.7231336 -1.1920497 -1.0672668 3.6110632 -1.2277186 -0.9043167 2.2274294 3.301486 -0.3779735 1.206897 1.8446648 -0.12174994 -0.965477 -1.8107902 -3.0276852 -1.3690217 0.23829177 0.13261278 -0.8914382 -0.39802027 0.5781086 -1.9240079 1.5617484 -0.2324703 0.52900475 -0.6939571 1.1427473 1.2025338 1.0681074 -0.97625196 -0.14540425 -1.2896038 -1.1320454 -2.6981237 1.5238582 3.1564605 3.1704028 1.236752 -2.003481 0.89711875 -0.24479987 -0.71890616 -0.9491097 -0.0037425607 -0.5249 2.4135857 -0.7955308 -1.2424557 -2.3226118 0.22408532 1.396623 0.8552343 0.6917851 1.1071092 -0.51863426 -3.7495596 -0.37157583 -1.780594 -2.526155 -2.5981572 -0.90075386 1.5944593 0.20239834 -0.64804435 -2.4259288 0.4962283 0.65674984 -0.610548 -1.3846866 -1.9600079 -1.9253929 2.4543405 -1.692266 3.1304922 1.3345398 -0.10606651 2.730683 -0.050484657 -0.46686947 -1.4924374 -1.2810049 2.8244386 -1.9234416 2.47624 2.2514265 0.024316717 0.84233046 2.6584797 1.7828155 -4.081391 0.77909046 2.1281962 1.5079783 -1.2751685 -1.4624696 2.13229 3.0581686 -1.1195855 -0.35295242 -1.1706445 0.9145941 4.645727 -4.080161 -1.0481608 1.2103227 -3.0893564 1.4332883 3.200451 -2.8934097 -5.2310257 1.0395789 0.26115924 -0.45236295 2.124306 0.3253582 0.91450274 -3.3603756 -0.96487135 -0.8558802 -1.2917631 -1.1783935 2.3572617 -1.7623544 4.5071406 2.286587 -2.490156 -1.3740425 0.6209211 -0.6005415 2.8419871 0.27506799 0.7589553 -1.3057202 2.723841 1.4312761 -2.0325782 -0.12328476 3.9755046 -0.42032894 -3.0111148 -0.23340322 1.100328 0.4306693 -3.6123145 0.96428096 -0.7899576 0.41717088 3.6044784 -0.87230796 -0.14760278 -0.67546964 -2.7248433 -1.4346046 1.6092772 -0.23036358 -0.19280678 -0.7497374 -1.1449804 -3.933402 -0.031283602 2.1474144 -0.4159322 0.9767227 1.701347 -1.4079016 3.6572747 2.3862135 -0.5690243 3.537858 0.8651847 0.37843817 2.6266994 0.5149626 -1.7141961 1.169134 1.1890888 -2.0824223 0.7527552 -2.575169 -4.79425 -0.45397624 -3.5193224 0.47635862 2.4624405 0.11794214 0.5775392 -1.3845401 1.5724756 5.3424473 -0.010470329 -1.9830903 -0.7912995 0.22719836 -1.2142708 0.29522523 0.069954515 -0.6129791 -0.0803536 -1.3411858 -1.6947759 0.7556467 -1.3605292 -2.7300105 2.3396773 0.69293416 -2.7132025 0.84829503 1.38514 2.942802 1.4373267 -0.6927969 -2.1220272 0.17757177 1.8922977 -1.2606361 0.40946588 -3.223553 -0.8559594 -1.2320465 -2.6217878 1.3457875 -3.4974499 -0.28932938 -0.17014746 0.20689704 -0.104027405 1.4169633 0.6661268 -0.24013649 0.77885866 3.8324635 3.973412 -2.70358 1.186383 2.794232 -0.052410036 0.29559562 -3.4997785 -2.4284031 -0.8992262 3.0082676 1.0763706 -2.093535 1.7809174 -0.010307863 1.9385642 -0.15895993 1.6285812 0.1765677 3.1326423 -1.662971 -0.07189977 -2.8609707 1.1494777 0.22961453 1.2176178 2.9300752

Levodropropizine is a member of the class of N-arylpiperazines that is N-phenylpiperazine in which the amino hydrogen is replaced by a 2,3-dihydroxypropyl group (the S-enantiomer). A peripherally acting antitussive drug that is used as an alternative to opioids. It has a role as an antitussive. It is a N-alkylpiperazine, a N-arylpiperazine and a secondary alcohol.

1.2381542 7.312536 -0.9028743 -4.522018 -0.30601546 -4.2349033 -7.9952974 3.0510294 -4.597932 1.8776593 4.5559406 -4.615094 -3.044051 5.637594 -0.20053183 -0.6286247 3.2089164 1.6529418 -5.356163 4.065205 -4.7380323 2.1021838 -5.170025 -6.6374755 -0.15995923 -1.3351012 0.13537246 6.198461 -2.959366 -2.6366096 0.2791962 -1.4515642 -1.121967 2.7543755 1.1256425 2.1580808 3.2817142 2.6513088 -2.394492 -1.5217215 -4.489975 -1.4872048 2.986925 -0.43577045 -3.1773825 0.033513542 3.958666 -3.1383176 -0.8858341 1.7657417 4.6080933 1.1238135 1.5943701 -1.3384461 -3.5391588 -0.6461075 -1.0726644 -0.85076094 -4.1736054 -1.4238591 2.8563693 -2.8130813 0.61177 4.626051 0.008302985 1.5048676 -1.1922632 -1.2430735 -0.40963712 2.1239197 -0.5939675 1.9107015 -0.9885412 0.081742 -1.1807839 -0.3006187 1.0989436 7.215276 4.2530403 5.2790036 -2.647296 -4.1437807 2.0163314 2.6399217 0.8456379 -4.770165 3.7358475 0.8154503 9.662827 -3.0660272 -0.9328729 -4.571933 -1.8947355 0.030127764 -2.2797487 4.2916584 -5.126504 0.23356542 -4.8388777 2.156421 -0.65859675 -2.9330964 -4.7628174 -2.8145995 1.5693978 1.1536145 -1.2264082 -0.3079951 -0.3687825 2.4088893 -0.8014804 -3.7704427 -2.8116965 -1.0683041 7.979186 -4.0319486 -1.6017904 2.1451845 2.2621357 3.761147 0.06941137 -0.03805479 -5.2886577 1.6058733 4.2190332 -5.176997 4.6531296 6.49241 1.3828307 1.7343354 3.3241503 -0.2737387 -8.739037 5.0801973 5.8571253 1.0268253 -0.53112197 -1.1744773 2.768806 1.6003715 -2.915843 -0.24247493 2.6879234 3.64716 7.421081 -3.6479855 -3.1198764 5.612732 -3.6632426 1.9991084 5.6146593 -3.1076467 -5.126867 0.61959004 -2.1787176 0.5700946 2.1587214 2.4429018 4.157166 -3.372986 -2.3498328 -2.4150379 -7.434706 -3.2554564 1.0130728 -3.8886967 10.5468025 2.064217 -1.7488616 -0.6747632 -1.334571 -1.4065971 4.7035656 -2.2304232 1.5601343 -0.6157639 3.1084764 2.4881358 -6.20187 -1.1606588 4.4978647 0.32310665 -3.928989 1.4411902 3.7177105 0.28091133 -1.2893294 3.1097052 -1.0751443 2.6213684 6.3057723 -1.0356529 0.8648406 -1.3886173 -4.1976137 0.07783425 0.8269395 -0.27907223 0.31967342 1.0107393 3.7582672 -3.8800082 0.728137 1.5742598 2.8427918 1.7987132 2.2422535 -3.0526125 2.0373843 3.9459674 2.6362026 1.7830006 0.49502942 1.9961796 2.8001928 -0.4820298 -0.21833158 -1.9499393 -1.3874811 -1.3767483 4.0549107 -5.8032923 -2.8834426 -3.5015576 -6.9045167 -1.5866257 0.8646056 -1.2821108 -0.51911837 0.36296985 -0.38008636 2.3002338 2.3546765 -0.5076142 1.1785429 -0.45818686 -0.5174152 1.5571234 -0.6792036 -1.8886088 0.3452456 -5.3441753 -4.474386 -1.1823183 -0.37372687 -1.1087679 0.15491256 0.852075 -4.686146 2.847765 6.543492 5.3480625 5.4296093 -0.7845208 -3.451132 -0.16751423 3.3759272 -4.0626106 -1.0516658 -4.509663 -1.4988862 -1.3172743 -3.088237 3.030663 -3.1357315 -1.8149381 -2.7091215 -1.2289459 2.550942 2.9688091 0.43472824 -0.63998264 -1.8296002 3.1913786 9.267831 -1.4825015 -1.5275226 -1.0410298 -4.3840256 -1.1428287 -5.8714867 -2.7185516 -3.8488836 2.7662032 3.9535384 -1.9652303 1.4878883 -0.64975685 2.436917 -1.0096035 0.5604128 -1.4608073 7.827103 -4.4035487 1.1351957 -6.196741 -0.34064144 -0.4393447 0.053257316 2.9470508

6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol is a carbobicyclic compound that is 2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol which carries a methyl, methyl and prop-1-en-2-yl groups at positions 4, 4a, and 6, respectively. It is an eremophilane sesquiterpenoid, an olefinic compound, a secondary allylic alcohol and a member of octahydronaphthalenes.

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Penicillin O is a penicillin where the side-chain N-acyl group is specified as allylmercaptoacetyl. Antibiotic isolated from Penicillium chrysogenum. It has a role as a Penicillium metabolite.

-1.6206226 1.544801 -2.4525099 -2.0997481 -2.6212575 -4.8998675 -0.43089116 1.3382396 -0.9310366 5.582697 2.3242517 -4.0218163 0.42164913 0.40962982 -0.71499246 -2.392347 5.8128786 -1.4408131 -5.092466 4.44325 -2.5361047 -6.7019806 -5.428943 -4.0218725 -1.9083899 1.6647949 2.066995 4.020795 -3.3257499 -6.9980903 -1.1339446 -1.672521 0.33607924 7.7712746 5.888783 3.3121567 -3.5252557 3.0497022 -1.9517032 3.6118054 -2.6869988 1.1438177 4.8673406 1.8341085 -5.1573915 -0.6476404 2.0627573 0.08862698 -2.9194686 1.6349604 5.1921806 -0.6746359 5.089272 3.931169 2.3096151 2.6981053 -0.056233805 2.6402197 0.03602229 -2.0488317 2.8462553 -4.219205 0.5190022 8.251061 -5.1556625 1.8496184 3.137707 2.6015635 -0.6844006 0.28234196 -0.5068038 3.1160815 -7.838721 -2.5163937 -2.041878 -4.491357 -6.449694 2.4556816 2.8860285 5.352345 -3.5694075 -3.1911898 -1.250203 6.377429 2.4563603 -0.24106316 0.5934039 2.647634 5.930509 -2.2620451 -4.1984463 1.9589448 -0.0716464 6.908649 -3.4408908 1.9911602 2.5764604 -0.50304157 -2.042363 -0.5099996 3.9699116 -3.9044917 -4.70377 -0.1931501 1.4762204 -0.5647611 -2.447582 -3.2239537 -2.5080996 6.7357974 -2.449989 -0.78281426 -6.5571637 -2.5537891 -0.05142927 -3.124473 1.9218018 1.4064451 2.2085242 5.5819273 1.3229179 -1.3304198 -2.1436286 -1.0514818 5.9432845 -6.5623155 9.435241 1.6452019 -1.0201203 4.269701 3.360322 -0.10523108 -6.755723 7.4463825 7.8183036 -1.3244324 0.7287575 1.3111293 8.925069 4.3572106 -2.0717764 -0.30234128 0.14456263 3.33256 9.221837 -5.524804 -4.6308694 9.051044 -5.406308 0.04594052 1.2147377 -1.7344613 -5.415711 2.2821717 1.6776152 -2.7961023 4.559874 4.777755 7.5095024 -6.132948 -7.869347 0.67233884 -7.7634587 -1.0274817 -1.7008857 -3.0195985 12.368502 7.059256 -5.3694744 -2.6865523 -0.35521817 2.245858 5.489302 0.70227635 -1.4720299 -4.1223507 7.8952727 6.8987007 -3.295942 0.2829013 0.8855812 -0.2270669 -3.2168565 -1.4431331 3.4074135 -1.1909378 -4.851344 1.2365266 1.545324 -0.10351659 9.877205 2.3981137 2.5340784 -2.2865398 -0.38516873 1.3598714 3.851354 1.8130908 2.4551077 0.04162904 -3.5428157 -4.267527 2.725858 6.716373 -2.5468714 -1.2451596 4.2938585 -2.5301638 2.0219953 1.1456677 3.3763416 0.9342793 1.976339 0.37563217 4.1969805 3.0537004 -4.0599513 -1.9545587 2.0091455 0.15242204 2.3090978 0.5381576 -4.062148 1.3244722 -9.747738 -1.13441 -0.45147216 0.90249634 -4.8306127 2.292312 1.6795728 2.3478546 -1.365478 -3.4000168 0.23532519 1.9278982 2.5142372 -1.6545768 -2.3736005 -3.4720213 1.5199177 -1.2552541 -0.2842002 -2.055287 -0.9568996 -2.15458 2.3820047 -0.82367516 -3.657944 -0.40675393 6.214972 3.7808805 -3.122123 -1.0560648 -0.5771245 2.7797332 6.326658 -4.4821396 -0.119757384 -3.3919544 -1.1444205 -4.2926326 -6.0199504 -2.9045134 -1.5175831 -1.9743519 4.7676716 3.8045244 6.821428 0.2485154 -1.4283702 -1.0388894 3.7385914 6.236455 4.2756 -0.5088135 -0.7686552 1.5317487 -2.715431 -3.9555442 -6.4583607 -0.9211267 -1.3822594 1.7840705 2.5759335 -2.0195737 -1.7211645 2.7483559 5.070721 1.9432281 8.918556 -4.244164 6.90485 0.90867645 -0.46817207 -8.634601 1.4007096 1.9983861 3.9962454 3.7473042

Hopane-29-acetate is a hopanoid that is hopane substituted by an acetoxy group at position 29. It has a role as a plant metabolite. It is a hopanoid, an acetate ester and a pentacyclic triterpenoid.

9.0644865 5.504551 -0.8282528 -4.2664623 -6.753576 -2.3787146 -6.2668247 -2.1056378 1.3589106 10.650443 13.789457 -9.976214 -3.12934 13.277657 2.489338 -0.0839054 15.908276 -3.4212127 -10.423389 4.094577 -5.3425674 -12.555964 -10.1863575 1.3856659 -11.925683 2.9705894 -0.8579514 20.988281 -0.75498694 -9.277441 4.5983377 3.660616 -5.1211886 7.1639423 14.8913355 -1.1319356 -2.1112564 5.5139484 -6.1219435 -0.2890699 -7.6971097 5.2567387 17.532967 -5.775496 -3.5764632 -2.0114434 2.223249 -0.90999013 -2.0929167 5.4905686 7.8494163 -6.830639 4.8169494 0.20798782 2.3452518 11.377754 0.60724366 10.531891 -1.876412 -1.5069956 9.245974 -10.997879 -2.6228855 18.235706 -5.5620046 -3.3890533 5.1683965 3.5933182 5.3409114 -5.303567 -9.435804 1.3729578 -10.6225395 -2.8051639 6.097135 -5.797207 0.068912655 14.410705 5.158327 6.327602 -5.1463027 -0.94699854 -2.3353531 11.873971 4.3873024 -8.025898 5.3999023 -6.8659964 17.281767 -5.1594534 6.1321297 -3.0010421 -6.1407075 3.6446617 -2.1393278 8.9652405 -1.1644723 5.4541817 -5.808303 -2.9745808 2.497684 -14.23457 -7.79004 2.7888834 5.0745687 7.711655 -10.572643 -12.846618 -6.8641286 12.299896 -10.0751095 5.8104444 2.8696525 -1.0908717 9.602676 -7.331689 -0.7911503 -1.9421589 7.3102503 11.867446 3.352954 6.384763 -3.6209576 -2.638647 11.458755 -16.185135 13.300006 4.9927773 -2.9519439 10.783053 3.1393192 1.2175785 -13.729238 3.4552877 9.433238 5.3945975 5.4061403 5.6525803 14.050278 8.773864 -9.256304 -0.6119354 0.75506836 6.629832 0.7893907 -10.982104 -8.8502865 7.958794 -5.174957 -1.3290105 -9.279728 -2.2141733 -8.672143 5.0451055 8.880493 -3.6400394 4.806238 6.597604 11.536739 -5.942646 -7.014278 3.4913907 -8.350248 -6.8977833 -16.903059 0.11752294 11.53966 3.9535007 -7.5520988 -4.293282 1.4229436 8.929636 -0.6631709 2.5521574 -5.8250055 -5.355551 -2.382829 11.337801 -4.941903 0.13568847 -5.284769 7.3087163 -9.413854 0.8342351 7.391562 0.9286595 -5.3650675 2.7269776 2.6139133 4.061926 9.577762 8.368517 6.78304 -10.382379 6.710411 0.44391674 9.679663 -0.78890824 2.9296086 5.593276 3.8204985 4.9495797 6.521882 12.114346 4.68368 6.1957507 8.035076 0.45849675 2.5449946 7.8144994 -0.05917193 -4.4267225 -8.799265 -10.362336 3.840274 2.9966516 1.1842692 -5.450566 2.4412217 5.3485885 8.262567 -5.7216206 -8.011645 -1.7885083 0.15407707 -10.875615 -4.942053 3.1058517 -0.73343754 11.7104435 -2.4952185 -0.06247969 4.126784 -4.9973927 4.073172 4.9791946 5.5498815 -0.43690434 -3.0376036 -13.759131 -7.5349617 1.9963645 -5.8854074 2.5268693 -9.407601 -2.070228 -2.09384 10.057835 -5.661589 -6.352626 2.6084285 1.7650043 -2.6060867 1.7931132 -0.1493927 12.1112585 6.5311623 -5.458608 3.0511181 0.35193843 -9.737282 3.9352882 -7.8093967 -1.0338489 -5.4726634 -5.474273 1.861399 -2.2958415 8.311433 -3.5890567 -0.7950068 -4.412975 -4.9598937 12.433055 9.98774 -1.3329817 -4.1646304 0.34035292 -3.3983755 -9.00122 -14.661257 -4.691083 -0.40485868 0.7634779 0.11073851 -7.56827 -15.578251 -0.91601586 13.559825 6.492623 8.128833 -1.4395723 17.365715 2.8400214 -6.441284 -18.07797 -0.03447701 -4.328949 1.6292902 8.931262

Lombricine is a serine derivative that is serine in which the hydrogen of the hydroxy group has been replaced by a (2-carbamimidamidoethoxy)(hydroxy)phosphoryl group. It has a role as an animal metabolite. It is a member of guanidines, a serine derivative and an O-phosphoamino acid.

1.5512854 7.094458 -3.3265839 -1.4644752 2.450884 -7.682893 -2.9060888 3.5097558 -2.107367 4.4357014 4.131181 -7.7311935 0.3070945 -1.264046 -1.1781634 -2.6003025 1.4539956 -0.8803464 -11.20449 4.630514 -4.0710697 -3.157559 -3.9231274 -4.3727446 -3.464694 1.3524007 -1.1409876 4.0455475 -4.580574 -5.433852 -0.8154266 0.8667773 0.5886748 4.8297796 4.7259626 0.8819538 -3.20393 4.6703525 1.0263437 1.9643339 -4.1719866 1.7055088 -3.5833027 -2.1061869 -7.5848584 -0.18608758 0.146577 -0.46360403 -2.8105395 2.034535 4.099209 0.20019053 0.7354961 2.3501768 3.9146085 -1.3684194 -1.6531181 -1.1808302 -3.5166438 -4.83339 1.1120598 -4.203193 5.2956553 5.803762 -2.9184878 3.0135245 3.395161 1.2735181 0.5269274 2.8332536 3.1979873 3.8264775 -7.7203484 1.2348397 -1.9717641 -0.27440262 -3.8693647 2.1126077 0.9953404 6.230102 -4.034684 -3.7147486 -4.26861 3.884854 0.31856906 -2.2399094 2.162856 3.8634758 5.935726 -1.2397733 -2.0475397 0.85519075 -0.5352158 1.5980448 -3.1027718 0.24038291 2.6866407 -4.5102477 1.5190909 2.3327758 5.2005 3.6593666 -3.8694582 -1.7666656 -0.4361447 -2.5247817 2.6702564 -0.74775 0.041406434 4.1504416 -3.8481228 -0.4015826 -4.665779 1.3144324 4.5733423 -1.5190665 1.4656893 -0.019777581 2.0773299 3.4756029 2.5911765 -0.30085635 -7.461316 0.29633355 0.9714678 -4.725781 7.8292084 7.206437 0.57311964 3.16495 6.4573927 -0.26069605 -2.8519237 5.523988 5.394255 -2.3494236 0.68384683 1.6110481 9.116453 1.6464328 -0.68163794 -1.5142272 0.726573 2.9094224 9.216291 -6.2541747 -2.9088688 9.55382 -7.058676 1.6428413 4.812684 0.9750124 -3.4101536 -0.15297073 -0.91945046 3.634381 6.6837845 7.2785177 6.318586 -2.1433449 -5.7343073 -0.8142808 -4.3882704 -2.3306353 3.8037753 -4.4038486 10.041035 2.7779188 -3.193861 -0.5322868 0.5379476 4.141776 3.388548 -1.0314093 -0.5031822 -2.8218987 9.986417 3.6132183 -2.9039762 -6.513315 1.3186104 -1.5543449 -4.516295 -2.3890655 5.325831 3.3426647 0.2988966 -2.8961964 3.8871183 1.8263382 7.0801325 6.1678824 2.2668831 -2.0748544 -4.435951 3.3358471 2.3539367 0.916007 0.22562598 -1.7868967 -6.93234 -4.148894 2.332271 3.9105816 1.9040103 -0.17775996 1.3603405 1.3680451 3.2621686 4.1121182 -0.33333203 0.9621081 -0.10912314 -1.5508807 1.0042554 2.6635516 -2.3691654 1.5737835 6.5324416 0.47493345 -2.3418965 -1.6542817 -2.3636055 3.3793054 -8.072772 -0.38095185 -4.5815296 -2.100578 -3.9954715 2.6158116 -0.82499623 3.5944462 -4.654005 -1.0255325 -0.39149177 2.6579971 5.3739552 -1.5488832 -0.7071983 -2.3222733 2.5771108 0.5825144 0.5101994 -0.821533 1.6928608 -3.0694752 0.15002017 -1.752393 1.4302843 2.8038554 4.059691 0.18682276 -0.75381017 2.7239556 -0.05539587 4.405731 1.6735082 -8.30286 -0.16888736 -0.19696388 1.0219295 -3.928924 -0.47183684 -2.5571966 4.9760175 -1.145508 2.598077 2.8996625 2.4273808 -2.3789768 -4.4912653 1.9610989 4.0490456 -1.869723 4.14383 3.672194 -1.1912755 -4.2502875 0.5052641 0.6660078 0.4750243 -5.3839564 -1.9256583 -2.042075 4.933986 -4.367441 2.5901031 -0.8804019 1.5342302 -2.3288271 4.802247 -4.221471 2.7481382 -2.3113306 1.8146627 -3.945518 -1.1289597 2.5681486 3.3831978 4.4285007

3-decaprenyl-4,5-dihydroxybenzoic acid is a dihydroxybenzoic acid that is 3,4-dihydroxybenzoic acid in which the hydrogen at position 5 is substituted by a decaprenyl group. It has a role as a human metabolite. It is a dihydroxybenzoic acid and a member of catechols. It is a conjugate acid of a 3-decaprenyl-4,5-dihydroxybenzoate.

-0.87105143 5.044527 -6.670623 -21.083 -10.161524 -7.8826604 -9.612336 11.066093 -9.246815 17.311607 16.100414 -14.705899 15.5740795 10.145686 11.796986 -15.092415 12.706088 2.1725557 -30.142895 -12.850526 0.8564332 -14.059012 -7.159631 -24.172415 -5.920137 -2.6802945 7.166048 38.60183 -12.838893 -15.29546 -4.0105944 -2.2421067 8.262392 6.6332474 19.403008 12.785697 -0.770248 11.529275 1.7816424 0.99520344 12.066166 -8.120922 -0.002730975 -19.001995 -16.9666 7.196271 2.7656524 3.0812333 -2.6421633 15.007425 17.337744 -7.6227856 19.862448 21.624897 10.992602 -5.7368274 -10.891605 -8.315062 -2.508331 -15.197764 10.013626 -16.248648 0.98056334 23.708189 -10.179658 8.002122 6.9897594 -6.9485927 16.607527 2.417931 13.67759 7.9514647 -24.162973 4.3560324 -9.3033905 -0.4650795 -16.084696 8.416157 13.429865 -7.510336 -12.95335 -1.3383164 -6.6693397 9.879086 5.1311326 -0.3699925 0.99170554 -6.3523245 17.915792 -5.7189713 -3.06823 6.437027 20.858002 3.3919618 1.7091553 -0.6264813 12.4931965 0.60404164 3.8473053 -3.6812563 6.2144656 -5.4560843 -19.793404 -10.574915 -8.310295 10.90404 -2.6844158 -4.99343 13.235299 7.8536334 -7.9402995 5.5858293 -25.667042 -4.2296987 -5.80679 -10.975194 -8.395842 8.070056 13.097035 30.634813 20.961052 2.9704652 19.377449 7.7884526 6.586613 -34.295567 20.134272 21.514044 -5.9013557 19.271452 15.009485 -4.356318 -23.76216 12.059045 23.201601 -2.752584 -5.045217 5.6132555 42.52359 23.027037 -18.533531 -0.2657429 -3.7253351 17.149855 15.651978 -54.585007 -7.601187 5.5127134 -33.537106 5.4155235 -10.0457115 -3.4284241 -38.920647 16.398783 8.214605 -3.5555887 16.221756 26.11775 34.70221 -16.61124 -33.742558 8.539069 -4.1699667 -22.240131 10.368762 -4.2014103 6.637592 24.726147 -16.29148 3.9116545 8.05162 21.87596 -0.21557039 8.655351 -12.396507 -7.027327 27.050179 20.731335 -15.72007 -12.901891 4.092027 -0.9041889 -20.834663 -3.3065085 21.596909 5.962902 -14.701333 3.4142237 0.82417613 7.66226 3.4791298 27.610216 9.782196 -7.7941866 -0.63242894 3.1838787 17.531979 1.3729516 5.64677 9.122107 -1.8146527 -2.1312823 11.379666 12.343921 -5.2187824 -7.260343 7.444104 -10.426702 8.866484 1.6909436 -15.812863 12.520681 2.0144799 -22.45831 13.210993 -6.681137 4.942988 -2.0784073 18.711103 -7.128949 0.8336792 20.336079 -19.740053 10.549576 -31.918892 14.7171755 -6.152008 5.8722525 -0.71865314 4.421562 5.103888 8.303745 -10.187879 -15.116647 6.6989117 4.3588476 7.151702 -12.1130905 -9.534998 -19.065538 -3.815099 6.440227 -1.8477942 -7.663819 -5.5753965 7.0436344 1.8386886 0.20381302 -9.820199 21.350798 8.860534 0.75463945 2.1159217 3.652634 2.0071507 -8.52287 14.508596 -15.772198 -6.2093277 -9.655656 -4.054556 -27.29956 -13.038556 2.37971 -3.0834405 16.462862 10.096883 8.584278 10.905222 -4.3293157 -10.084031 -7.1290054 9.818019 15.237282 3.0618465 14.643066 0.15166222 6.4167747 10.298128 -1.4194757 -28.826376 21.176468 -15.227213 -2.607339 17.514109 -5.4796963 -1.6506361 -3.9354932 26.53099 18.535267 20.208345 9.341868 14.511464 5.88929 -0.834992 -15.44824 8.432257 8.635214 8.126203 6.434831

Dihydroagarofuran is a eudesmane sesquiterpenoid that is octahydro-2H-3,9a-methano-1-benzoxepine substituted by methyl groups at positions 2, 2, 5a and 9 (the 3R,5aS,9R,9aS stereoisomer). It has a role as a metabolite. It is an organic heterotricyclic compound, a bridged compound, a eudesmane sesquiterpenoid and a cyclic ether.

4.4622498 0.6833966 -0.7291744 -1.8340153 -3.6594527 -0.018272966 -2.3694136 -0.6503081 1.7442874 4.4952188 6.2509346 -2.7557893 -2.3772626 5.42903 1.5903602 0.11706881 9.110795 -0.8518671 -5.1113367 1.9122608 -1.2456566 -6.98155 -5.779138 2.3621652 -4.6665225 0.973242 -0.294924 9.103022 0.05302401 -5.3536615 2.2588286 0.9920983 -2.5672731 3.6379504 7.9779205 -1.4110956 -0.64624894 3.6815472 -2.972728 -1.716913 -3.5746408 3.1762989 9.538417 -2.9627655 -0.76512873 -1.1844555 -0.1306515 -0.98866516 -1.3643422 2.648057 3.7832863 -4.2372103 2.5927768 -0.4784411 0.39109114 6.8179846 -1.2246693 5.827065 -1.6105269 0.12028669 6.1261177 -3.9255393 -1.5536724 10.111731 -2.6073709 -2.603221 2.1424274 2.6240125 1.8199543 -2.4711807 -5.016409 -0.5177747 -4.48535 -0.61319864 3.7281866 -1.8382654 0.6616787 7.18962 2.564376 3.5995665 -3.253937 0.19788991 -0.18531199 6.804406 1.2533443 -4.3837004 2.2463093 -5.0805492 8.491185 -2.812181 3.3527324 -0.68500894 -3.604096 1.1623764 -1.748623 5.071477 -1.7919047 1.9702246 -3.2414932 -1.9104903 1.2573999 -7.787956 -3.8866649 0.48274934 4.326439 4.593755 -4.5719748 -6.7983656 -3.4761162 6.0435324 -4.875947 3.9717355 2.7759287 -1.4556501 6.0036287 -4.3965535 -0.4751367 -1.4977776 3.3703396 6.2745776 0.720579 3.2690117 -0.92670494 0.115023896 6.0201793 -7.665316 6.174134 1.2104323 -1.5951974 5.816351 0.35696998 1.2721704 -7.411996 3.4654164 6.3109794 1.7347438 3.063761 2.0498195 5.6524763 5.0790176 -2.26335 -0.6962152 0.08468001 2.3495216 -0.9841145 -3.9588351 -5.8188367 4.4927545 -2.419921 -1.4005237 -4.919003 0.047292024 -3.7168922 2.3649142 3.5646904 -2.3005908 1.5424625 2.9017663 4.4687304 -3.3273213 -3.0400145 0.37094128 -3.8462873 -1.8805109 -7.125604 0.16436905 7.022328 3.0009625 -4.905051 -2.7362816 0.7143741 3.9981928 -0.5459515 0.42410874 -3.69129 -1.9825482 -2.0835474 4.6757684 -1.3651944 0.9687401 -3.4401793 2.8480358 -5.064431 0.92619336 2.7859855 0.6365378 -3.7389119 1.903263 0.638152 1.4817247 4.7930956 3.059329 1.6134632 -4.259735 4.115106 -0.15707141 4.6706905 -1.1997063 1.5709743 2.8234055 2.9358804 3.5361369 2.1903112 5.925299 2.1319182 2.7433228 3.7559574 -0.2065167 0.90316486 3.577142 0.2741719 -2.063651 -3.5874624 -5.289413 2.516531 0.46089327 1.4971821 -3.010645 -1.4773932 2.918558 3.935977 -3.5409849 -2.2193367 -1.3442647 -0.062837884 -4.618158 -1.7617757 0.7648435 0.8981479 5.2595625 -1.3613924 -0.5199392 2.705617 -1.2735603 0.9836678 2.3721747 0.95012903 0.42967469 -2.6586947 -7.586239 -2.5346603 0.42698938 -4.474046 1.8266655 -5.1402483 -1.5232173 -0.34966666 3.9713228 -3.8439422 -4.2468014 1.3803543 0.16690955 -0.3842306 1.0645223 0.024842367 4.908908 2.6257854 -1.9134037 1.1461456 -1.0990489 -5.7157226 2.1185555 -3.5918992 0.21007845 -3.3852193 -3.3755975 0.2719736 -1.6126485 3.9946258 -0.6366689 0.46005577 -2.2440605 -2.207657 4.8704596 4.418029 -1.5748353 -2.2138562 0.73251754 -3.6357284 -3.8245702 -7.406268 -2.3118556 -1.0020227 2.098783 -1.0472056 -4.043289 -8.025015 -0.41682434 6.815056 3.5266156 3.3779454 -1.9290411 8.240947 2.4220126 -3.496407 -8.445699 0.8333 -1.9260817 0.23797643 4.53338

2,5-di-tert-butylbenzene-1,4-diol is a member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5.

0.3984949 -3.201955 -0.107683 -1.8333111 -3.8737168 -0.8339312 -0.8570899 2.533479 -0.050103042 3.1812344 5.937367 -2.4100544 2.7512105 8.39036 4.280862 -0.6214406 10.149016 0.21909183 -8.622262 0.60813683 -3.2896667 -4.0073504 3.3308342 -6.028323 -2.1679223 -3.5653024 2.4407995 8.299576 -4.2439194 -0.9407948 0.9233418 1.200037 4.2437496 7.564645 1.1472777 5.147869 4.92082 0.13555366 -1.4428377 0.3756799 -0.4672076 0.49794948 0.370769 -6.6199403 0.38763934 0.14323144 8.782352 -3.1732578 1.3469458 5.877095 4.1835313 0.14912874 4.713254 1.1445622 0.4262258 6.80402 -2.2605014 -2.535189 -0.7281064 -2.124285 2.722884 -4.268063 1.8149737 4.5765896 -0.41773704 -3.8116322 3.187375 1.8823546 -0.19838282 2.4440627 0.4847523 1.7508152 -3.887627 3.785824 0.26425835 -0.6113567 -4.7433705 2.542961 6.7364006 2.3705065 0.7091682 1.0753999 1.213859 1.9966011 1.379481 -2.0403888 1.3455482 -0.78548783 6.020452 -2.0537763 -1.65404 -4.1547394 2.2681735 2.569378 2.6756268 4.0191336 3.5587213 4.8743987 -0.59163624 2.4678016 0.4110322 -2.0086079 0.66520697 0.8213625 0.56667393 0.589352 -4.2440557 1.8570518 3.6633356 3.107323 -5.9245954 -3.8489823 -4.790327 -4.2818456 -1.0457284 -0.98154885 0.11523846 -0.64483726 0.6221901 5.145721 1.1881969 -0.5419992 0.052405402 -2.636545 1.101704 -5.464102 3.7335107 3.5120752 -1.7258441 6.4140544 1.4803299 -2.1835024 -6.217225 -1.6873223 3.468146 2.6308274 -2.2444232 1.9982443 4.2898273 4.728014 -7.449108 -3.3015876 0.7548578 3.1933436 7.701672 -9.182253 -3.5356126 1.9473388 -5.9140787 1.9137311 2.8619342 -4.9255676 -10.189955 5.5605855 -2.4268782 1.1420243 -0.34739175 1.8126206 1.4866225 -4.1372304 0.9792044 1.4135151 -3.4012036 -3.0433688 0.7312255 1.0329996 6.4089007 6.313899 -2.0263612 -4.1920333 2.8649461 4.8965135 1.9618034 -0.9915892 2.5607579 -3.014226 5.3482046 4.294743 -3.7283843 3.73363 5.882718 -4.174608 -3.322 -0.10928936 1.7837951 -2.7439997 -3.663147 2.4572184 -0.9662667 0.975937 2.316816 -0.25063628 1.055585 -1.6980861 1.9241774 2.3612208 -0.7983857 -5.818574 0.30048838 0.5238852 1.353874 -3.8101625 1.9759506 -0.0472434 -5.8666134 1.5275135 -2.3293974 -2.7713394 3.902715 -0.017164841 2.2355905 5.082494 -1.4763448 2.2511504 2.0464346 2.378088 -0.899785 5.1600347 1.2918682 0.817556 3.0820098 -4.840331 -3.187591 -1.2448089 -5.422301 -2.8365593 2.776335 -0.8338882 3.4934611 -3.063516 3.6765778 7.399905 1.3635627 -0.99457777 -1.7205238 0.16692358 -1.2228379 1.4620962 1.758041 -3.6024144 1.6070739 0.35483348 0.74587685 -1.6212121 0.93887395 3.1653717 2.5785472 0.015283253 -2.9135814 1.6081035 0.8228545 8.741026 5.200747 1.4446723 -4.9128313 -1.3721386 0.010068551 -3.5041015 1.5700908 -0.702618 -0.64598167 1.3767433 -5.054369 -0.89288527 -4.763598 -0.25186372 2.2450502 0.9240963 2.967488 2.9916 3.634565 -3.8529162 0.33696252 6.524497 5.114888 -5.1574235 -0.91703 6.216753 1.0634685 -0.28386602 -8.337 -2.529371 -7.577136 2.9270797 4.2851048 -2.4325151 -1.3126267 -1.977665 6.4622965 3.8327193 4.1800528 1.9186599 7.866035 -3.3006167 -0.60351986 -6.027272 0.8472012 4.848031 1.1820996 -0.39235443

Tectorigenin is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. It has a role as an anti-inflammatory agent and a plant metabolite. It is a member of 7-hydroxyisoflavones and a methoxyisoflavone. It derives from an isoflavone.

-2.4479556 3.1399972 -2.276002 -2.9553134 0.7161114 -7.9801235 -6.0804176 2.6590643 -0.72828156 1.271758 7.6501737 -8.430141 0.083311886 11.758578 7.0655217 -0.7141459 5.7774887 0.53262615 -12.201402 5.2673855 -3.5414085 -6.261792 0.09975998 -5.671901 1.9782118 -1.5115964 -1.1134531 8.387213 -2.8413389 -2.6305704 0.029891133 -0.42712426 4.5942388 3.3868096 1.5244886 4.070551 0.5146305 1.7685852 0.9859443 -1.8519808 -0.3905835 2.511219 -0.46707463 -7.5530043 3.1312187 -3.831216 8.465071 -5.027769 1.7079324 6.964844 6.4660187 -0.19888383 3.406452 4.4791307 -2.2336855 2.3322263 -6.3747196 -5.5685377 -4.3423367 -1.3631679 -2.9280314 -2.4530125 -2.563208 1.5810568 -1.1023781 -0.5587542 1.1843119 2.1378222 -1.3843067 5.8852267 2.4520776 -1.3566344 -0.12231575 1.6114724 -2.63088 -4.815734 -7.4537334 11.1547785 8.20984 8.191575 0.7209351 -5.1875844 0.12756336 -0.47338325 0.63013047 -0.696823 -0.59485495 -3.2366223 10.375538 -4.187622 -2.2649865 -7.352344 -0.43180525 0.06570795 2.500415 1.430331 1.8453567 0.5971151 -4.62395 0.20976183 -1.5787162 -8.367842 -7.773234 -2.829801 6.3704085 2.3260972 -0.25181925 -5.990183 2.6495607 -1.860114 -4.8893514 -2.1138153 -3.5723853 -0.793378 8.009971 -4.753428 1.7772067 -1.9398853 2.4324515 7.4619927 4.149487 0.077403374 -5.1496277 -2.0785625 8.438793 -6.6307397 5.2182693 5.368197 -4.8671803 2.1918387 3.416328 2.0581841 -7.471532 1.4557239 10.17239 5.2588806 -1.8515296 -4.3680034 2.6813765 8.063702 -3.308464 -2.3001254 -2.5516455 5.6610494 10.341592 -6.7198935 -1.0626444 0.48775595 -6.8167458 0.48014325 9.509828 -3.3632796 -14.551456 3.1315455 -4.1219387 2.2929642 6.1163936 1.1182547 0.14194712 -8.851237 -3.1684883 0.71569234 -1.846517 -3.7775166 9.790673 -3.4835997 12.056649 5.3267317 -2.7962356 -4.8970165 0.5277338 1.8757274 6.626123 -2.4762895 1.4327226 -1.8705968 4.2763567 0.8606265 -4.642828 3.1529565 5.340665 -2.001025 -9.07678 -3.7720804 3.8513987 -2.443211 -5.922388 3.6508956 -1.015073 1.3584381 5.2461243 -1.9511828 1.0189793 0.29342988 -7.1132293 -1.7962382 4.309214 -2.4169946 -2.167246 -2.0216708 1.4303325 -9.386622 2.2103841 3.7026503 -0.10470633 0.03782276 -1.3346148 -1.6874671 5.6201754 2.2786639 -2.4790816 6.6132874 0.37259722 -0.21275933 4.3547034 1.5451089 -1.2729169 4.6705046 -1.6627418 -4.3341336 2.100447 -9.029447 -5.6936984 -2.4510372 -6.0777507 -1.1271111 8.996691 -2.9853067 2.1504421 -5.2324133 3.83666 9.265303 2.31568 -2.2522655 -4.4620986 -0.39957651 -3.2091172 1.0841902 0.49143133 -3.3254735 0.16127291 -6.32246 -5.46388 0.026158221 2.2456758 -2.477172 3.9356642 -0.4380951 -2.7723455 1.9548564 0.6221792 5.646543 3.7615588 -0.34042832 -3.8038595 -1.1644919 2.6064644 -6.4605756 1.5287074 -6.5262413 -1.3441046 -5.804084 -5.294937 5.7194843 -7.4986286 -0.27339694 -1.6735694 1.1059879 0.2674144 5.814719 4.2315254 -2.5580835 -0.29723895 10.257168 10.514885 -1.93573 5.2032046 5.089759 2.4541302 -0.854427 -9.648242 -7.314959 -6.1112595 7.8753366 5.491793 -5.9911146 3.7527506 0.012247622 7.9796486 1.8941785 0.5909092 1.3357632 8.298264 -1.8963484 2.0123062 -5.2817125 2.488053 -1.8354895 2.0709553 5.310835

(E)-clothianidin is a clothiadin that has E configuration at the C=N bond of the nitroguanidine moiety. It has a role as a neonicotinoid insectide.

0.5846216 4.301874 -2.1752086 -2.7087207 0.9569106 -1.0778301 -3.5487187 2.4166796 -2.2849033 2.0520735 5.224839 -2.7462273 2.7240245 -0.085273415 2.1082022 -1.7317214 -0.97689724 -1.1298062 -6.139515 3.8921306 -4.872877 -3.4401658 -2.3709579 -3.7387621 -4.026887 0.50664747 0.23950472 2.2277958 -1.5800886 -5.674934 -1.3303226 -1.0300251 2.4936087 4.7856727 1.4427003 3.8611405 0.54541457 3.4721227 2.0151412 1.1385069 -3.5260808 -1.4669709 -0.5306377 0.13084072 -1.9836632 0.065123886 5.495803 -4.2462215 -2.5661607 0.25903 4.4775805 -0.76631534 3.6919703 3.0292423 2.7986856 0.45036215 0.9718443 -0.4561252 -3.3855078 -1.6261779 1.8988625 -0.29870737 2.8489482 2.1790347 -1.7072612 2.6282175 1.9374069 1.5037047 -1.1561558 0.77166855 0.012769774 2.0243397 -3.23253 -0.80545115 -2.9765618 -1.02508 -3.1797142 1.1282034 4.965976 3.405602 -1.7964969 -4.020067 -1.0109292 3.3741145 0.8561096 -2.2522535 0.03931467 1.0260457 4.7839217 0.5628619 -2.688902 -0.9944992 -0.67627716 2.949449 -0.6700357 1.69854 2.2114916 -2.5781603 -1.2667621 1.4196821 1.8765221 -0.79011476 -2.398381 -1.5519718 0.68972677 -1.429744 0.8639121 -2.349354 0.47543573 3.583362 -4.6193137 -1.1436337 -3.245097 -1.2684762 0.7554165 -1.0924852 -0.09923664 1.0602916 -0.60984856 3.430966 2.9139426 -3.3173788 -3.5910745 -2.3285227 3.8495102 -3.4748356 5.7375627 2.543537 0.5451126 3.0386276 1.9717782 -3.1138794 -5.160828 5.052675 2.055587 -0.5131829 0.32598138 -5.103602 5.4272604 2.1636147 1.0184722 0.16172045 0.3667304 2.7115982 5.4609866 -5.2219415 -2.2448823 6.6672683 -4.6358533 -0.17765674 3.0995517 -0.92890304 -1.9607596 0.28016013 0.078417346 -1.1818688 4.0929255 1.3263448 -0.064648494 -3.1492038 -2.0249166 -0.404461 -6.321265 0.19506924 2.407038 -5.1131325 6.935077 4.3950233 -3.044949 -1.7251419 -0.6902324 -0.1971241 4.527965 -1.8612584 3.2054522 -2.1794548 5.304762 1.6341345 -2.9574003 -1.3652157 2.4482944 -0.4889141 -1.0519074 -1.3848376 2.3973038 1.7048324 -4.040364 2.8123968 -0.67017907 -0.18818611 7.4445453 2.9913015 -0.5445764 -1.4324256 -3.644102 -1.5349852 1.2715006 -1.7030693 0.44337487 -1.6461287 -0.08165608 -5.0420494 3.735159 3.448901 -1.148719 0.08110683 0.5420531 -0.9595172 2.837031 2.842018 -2.1202066 4.6684146 3.2836733 2.8181875 3.7383208 1.5229398 -2.3425798 2.229552 -1.5023092 1.7971568 3.2768278 -4.7483993 -2.4754267 -1.749867 -3.5578327 -0.49356878 5.808057 -4.725322 0.7977864 -2.279171 -0.9485775 4.4496646 0.12288235 -0.96004885 1.3742696 1.8101265 -2.5966854 1.7390935 1.4816105 2.2727757 3.715805 -4.787892 -1.5925076 0.69211733 0.21018332 -0.7190763 4.9923167 -0.12526155 -3.3848708 1.9309871 1.5929548 3.8486276 5.739161 -0.7972555 -4.6122594 -0.5054343 3.4660568 -3.6593611 1.1911405 -5.10145 1.5395175 -1.3929558 -2.5620468 1.0378261 -2.3445857 -1.5162144 -0.4886635 2.7300708 3.5467718 2.6145444 -0.54468083 0.71931577 4.048679 5.0234118 6.178403 -6.554189 3.0951147 2.3080742 -0.031856664 -0.37781775 -3.8142154 -2.839037 -2.4326959 3.0259953 4.7457905 -1.4825666 1.2228665 0.77627885 0.057116278 -1.6161121 5.734999 0.29782015 1.5525562 -2.957572 3.5370367 -2.0987988 0.25718302 3.4760385 1.0407423 0.123139635

(9Z,12Z)-17-hydroxyoctadeca-9,12-dienoic acid is an (omega-1)-hydroxy-long-chain fatty acid that is the conjugate base of (9Z,12Z)-octadeca-9,12-dienoic acid which has been substituted at position 17 by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoate.

1.4812702 4.6115923 0.44058692 -5.916848 -1.3750752 -4.541704 -2.955753 3.2096128 -5.709903 4.316983 5.943218 -6.859423 2.1759474 0.0035638213 -0.079773284 -3.087111 1.7378416 4.063286 -9.130075 1.1553087 -2.717827 -2.977747 -0.3966912 -9.798457 -3.5370026 5.2398186 1.4956475 9.267733 -4.6411834 -5.2302647 0.21722937 -4.2102637 -1.6335725 5.294195 8.813748 6.5065174 -2.5547476 9.519228 -1.8937438 5.817457 -0.19951412 -7.07483 -1.3654504 -1.902046 -8.481548 1.5962399 -0.9600917 2.3912625 -1.7228066 5.132068 6.193092 3.9112728 5.742569 5.26408 2.8267493 -4.9411445 0.36372355 0.3684519 1.2235198 -3.9973876 -0.46048522 -9.343454 0.82202315 10.955495 2.709025 0.73972374 1.7415082 -0.28403962 3.235083 -4.94421 2.5119388 0.2598748 -4.3713174 2.9269266 -1.9512784 1.0151242 -2.2353446 6.18302 3.1592255 2.50538 -5.0482383 -0.5736674 1.2768989 7.516628 2.004923 -1.9190506 0.50680417 1.6020744 10.032308 -6.0281625 0.8384212 3.2594182 6.157431 -1.4555128 -0.6251512 -0.18638155 -0.33557338 0.29739505 1.7910922 4.523039 3.928843 1.7921431 -5.196447 -2.1019337 -6.066619 4.3260746 -1.3059336 1.7879039 3.3702075 6.1860037 -4.1853094 1.9223919 -8.710985 -2.7404459 -0.71794736 -0.078497015 -3.7764132 5.3461723 4.572029 8.65939 9.609171 2.5054076 -1.1930228 0.6259488 4.4460793 -13.373237 6.7903934 10.718901 -3.511058 6.020711 9.475085 -6.0094438 -3.8948512 1.7986178 6.2412024 -3.6977077 2.3076453 1.5188437 11.966217 1.2110741 -4.663081 0.7053882 1.1623322 4.837721 8.128194 -13.90093 -4.1803746 7.936906 -7.294224 0.10050353 0.26356527 -2.181773 -8.8068905 3.2862086 -2.2563605 2.018753 3.0870306 8.153596 11.908977 -1.9027027 -9.370555 3.858955 -2.2367704 -5.7923856 6.218365 0.4280624 4.114597 8.018376 -3.0841517 5.1290374 1.1900793 6.6049094 -0.30582157 1.7285604 -1.6795379 0.19509134 10.905936 3.9478288 -8.607026 -8.070473 1.18135 0.74945647 -4.615833 1.025135 6.746723 3.8119712 -3.2968092 -0.11637593 4.3280625 7.395216 2.6347625 10.391783 -0.83747745 -2.1997595 0.954945 3.1976135 3.9653416 4.963503 4.9578247 1.4964422 -3.4445612 1.4132237 2.683617 2.0458431 1.9066038 -5.869633 1.0752317 -2.0357828 2.2626014 -0.73081064 -2.196349 1.5023978 4.032087 -8.046193 2.6195173 -2.819125 -2.9596522 -3.3976738 7.027874 -3.5342066 -3.2402306 6.919885 -4.8123045 4.42917 -14.782189 2.9866207 -5.394695 0.88121855 -5.0195704 5.902884 2.5488 1.8103576 -3.1591358 -4.1989026 2.150839 -0.421948 8.675965 -1.1265091 -5.2845793 -3.028733 -2.4857297 -1.1812752 1.7379615 -1.6290632 2.0618405 2.8092823 -0.84616494 -1.1283334 -4.2742977 7.7561646 7.170461 -0.0041190833 -1.4447733 2.864331 1.9091696 -3.8196175 7.804633 -4.393188 -6.0811296 -3.4047165 2.5245016 -5.073737 -2.1589274 -2.5613806 2.6643512 1.851059 4.4651337 -4.5883884 6.600162 -3.2709486 -4.2401295 -2.4200628 0.24553072 2.4669023 0.74994415 10.173409 -1.9708786 -0.7791575 4.877588 -4.649859 -6.550714 3.0575075 -1.863349 -0.2424549 6.964581 4.298498 -0.03473126 -1.8733395 6.483444 5.760006 5.909964 1.2036904 5.148832 -1.8224262 2.0559344 -4.560021 3.4009435 0.5014695 2.7901819 3.246402

5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid is a triamino-1,3,5-triazine having a polysubstituted naphthalene group attached to one of the exocyclic nitrogens. It has a role as an epitope and a dye. It is a triamino-1,3,5-triazine, an aminonaphthalenesulfonic acid and a monoazo compound.

-5.7311015 8.981203 -10.358821 -3.0076437 4.3921094 -17.925707 -14.040749 4.9917016 -2.6459215 8.89574 15.219851 -18.068623 -2.5340912 14.524373 13.082182 -5.499932 3.9671717 -2.5860457 -26.783985 8.857848 -12.982422 -6.4914856 1.2092797 -7.818194 -0.46664804 -3.2978647 -2.329948 10.063456 -10.063491 -8.078006 -4.9739394 2.5321894 3.6338964 14.549367 0.2893961 10.830376 -1.8886163 7.501068 4.060245 -5.0310717 -3.465361 2.6441798 -1.739991 -1.4390454 -6.7872787 -2.4705765 16.273268 -10.13807 -3.8870323 14.574964 7.6088347 5.3035145 9.843543 8.321122 -0.6337481 6.6909137 -13.871652 -0.9727764 -10.688556 -6.7091827 6.289976 -1.4972404 1.66747 -0.5072712 -10.361774 0.37399536 2.7550087 7.34552 -3.4286635 8.676737 7.844867 -3.3110554 -7.02133 -0.038853608 -6.5581326 -4.1688595 -12.047359 14.685163 19.291931 19.51965 5.174931 -10.933441 -1.9320905 7.152009 -4.157349 -1.3002014 -5.851483 1.5957824 13.385645 -4.631098 -3.05434 -11.59124 -8.065404 2.9511044 2.949776 4.342628 10.160171 -6.40466 -8.390454 6.5589924 -9.214953 -4.6892266 -15.5559845 1.7822301 8.732034 -2.0643568 -1.0954604 -6.0662885 4.451926 2.242853 -22.11887 -0.15184318 -3.8992348 -8.54783 13.854506 -4.6896253 7.1065946 5.038769 -0.5276766 19.784134 10.369474 -5.1124935 -14.314231 -11.868296 17.722935 -3.6447246 17.866959 5.3198924 -4.004716 8.680614 8.18258 -1.3664098 -10.139768 7.2743244 11.474231 0.4232194 1.4267136 -13.561462 6.2680387 11.726209 -10.002493 -7.440728 -1.2583083 4.719318 20.17467 -3.8394358 -11.571276 8.545563 -14.1413965 -0.8952887 19.920029 -11.518044 -12.919284 -2.5741184 -5.468789 1.6583508 10.392828 -0.101692915 1.8498993 -9.106666 0.8926902 -2.8713493 -14.621729 2.0295882 12.055366 -8.236324 17.843693 4.433842 -5.1065493 -9.6812935 4.3389044 -2.5382822 14.798065 -4.258436 4.783275 1.3221802 12.802881 4.8064127 -5.537567 -0.054127336 6.0705695 4.7333903 -5.7971077 -4.555344 9.794583 4.107137 -7.109519 6.312407 2.410051 -0.61458045 18.034336 1.9550017 3.2595224 2.0145168 -10.067856 -5.50488 4.9608617 -2.9615855 -2.4562397 -8.27732 0.99492395 -24.006033 9.848101 8.618958 2.7327754 7.9544797 -1.0777972 -2.3658242 15.656859 9.821861 -9.487393 17.756758 3.1668103 11.075237 9.218149 7.304392 1.4081624 6.4563127 -8.779256 -6.384092 -2.1163068 -22.184238 -11.871977 -0.9277851 -9.557613 -5.429927 13.198414 -7.1181426 9.459749 -5.1553626 1.1545761 20.365767 1.4560554 -2.504686 -4.5330534 5.2281075 1.7282572 0.44170836 1.0283948 -2.3735785 3.0063965 -13.447839 -5.8738317 2.295437 -4.3843627 -1.2295804 13.931906 -5.1075687 -2.732666 3.9476535 0.8911328 11.604051 11.348269 1.9636385 -12.346377 1.0056407 5.5698295 -10.225944 4.0889144 -9.748225 2.070869 -8.779843 -5.084224 10.227733 -10.437832 -3.4660187 -2.5200891 8.763708 0.9162824 12.724021 3.2259219 -2.611122 1.9600817 20.169756 21.70818 -9.356034 8.949558 3.9026415 7.9931345 -3.5677707 -13.571908 -14.158972 -4.294305 14.00233 17.684875 -13.216431 13.56559 -2.016662 11.166572 -3.5601745 8.083376 -7.3539643 13.647461 -6.047895 0.5385072 -7.6474953 1.5641075 5.8919735 5.9159837 3.4420714

(R)-3-hydroxyoctanoic acid is the (R)-enantiomer of 3-hydroxyoctanoic acid; an important building block in the biomedical and pharmaceutical fields. It is a 3-hydroxyoctanoic acid and a (3R)-3-hydroxy fatty acid. It is an enantiomer of a (S)-3-hydroxyoctanoic acid.

0.5650828 2.4248815 -0.215828 -2.4297235 0.40916798 -2.9992347 -0.70525134 2.0055685 -2.48324 1.3959965 1.614443 -4.6198974 -0.34655342 -0.75678086 -0.62942594 -1.5369407 -0.07306254 0.3400388 -4.4492736 1.3348699 -2.948772 -3.006791 0.49950236 -4.754578 -1.068957 1.2216439 0.8637721 3.0375466 -2.2493954 -3.274955 0.045908958 -2.0348003 -0.9565321 3.4046192 2.3094916 3.117363 -1.2798537 4.6172485 -0.8227944 3.4002426 -1.9230213 -1.152821 -0.315693 -0.71244407 -4.2974744 0.41108856 -0.54076993 1.295174 0.18219125 3.5545335 2.2875156 1.9133624 1.7507461 2.3110664 1.3486776 -1.5120753 1.6543108 0.026074335 0.073095635 -1.9040406 0.1662725 -4.939122 2.5819566 4.888546 0.88881767 0.52400976 1.0974643 -0.7936097 0.8802357 0.05284643 0.71826625 0.58311063 -2.6955655 1.8341042 -1.1725295 0.0054614693 -0.8237525 2.2097864 0.8874283 1.2164788 -2.9338093 -1.3312962 0.18076846 2.9800098 1.4099214 -2.145552 1.0914729 1.5417864 4.527294 -1.2006218 0.28888977 1.7584299 0.804462 0.3411269 0.506795 1.0083307 -0.13685209 -0.5875822 0.9509709 1.0616446 1.8977935 0.9441847 -2.5779974 -1.8732244 -2.0396287 1.3730465 -1.4460244 1.5066118 -0.3211764 3.2336924 -2.2372854 0.23184928 -3.5880916 -0.9705851 0.3062121 -0.8274282 -0.11149335 2.84407 1.8948791 2.906979 2.9886332 1.4795903 -2.6668565 -0.94754064 0.46027702 -3.3489583 3.2342649 4.4825864 -1.3137074 1.4389495 4.282036 -1.0302043 -2.9064152 1.9695756 2.8276541 -1.3359953 0.26491296 1.2025027 6.6688614 -0.062860616 -2.846448 -0.32904315 -0.78391933 2.4917443 4.5571494 -5.745853 -1.467572 3.0131483 -2.2191312 1.49676 0.60642177 -0.5325845 -4.1570134 1.5810971 -0.9225629 0.9047616 3.5416253 3.927836 5.0704985 -0.52669233 -4.510304 0.7265151 -1.5878943 -2.8804345 2.0663345 -1.1252003 4.476496 2.3275135 -2.2338557 2.2053564 1.1495802 4.1496525 0.85820246 0.79447293 -1.1531708 0.36841756 5.6481185 3.3128974 -3.8289812 -5.300742 0.9716892 -0.4706971 -3.1383786 1.0891377 3.2526405 1.7103363 -2.0832 0.6173256 2.4686792 3.2484753 2.0995102 4.99419 -0.62272984 -0.19909497 -0.21292375 0.8812584 1.8437848 2.0595908 1.5405192 -0.11120499 -2.300266 -0.28318396 0.9935107 2.2650943 0.34335253 -1.9458941 0.65171164 -0.11630436 1.2696532 1.6911796 -0.09418143 0.27493644 1.3681247 -2.499681 0.77317846 -0.38133377 -2.9697058 -1.650009 3.0337775 -1.778887 -1.4845849 2.7747855 -1.5453268 2.9708803 -6.7967477 0.54904807 -2.182706 2.0046797 -2.5889726 2.1575978 0.7205816 1.1403588 -1.7752411 -2.2735844 1.4228004 0.042852364 3.8903122 0.03339055 -2.5816917 -0.7608323 -0.09716214 -0.17117077 1.1351511 -0.54149437 2.8195236 -0.11563738 0.017179191 -0.71230906 -2.563272 1.1672021 3.4459312 0.704902 -1.1680446 1.4661267 -0.27876747 -1.2731049 3.491002 -1.9026045 -1.8118176 -0.8110776 1.1703581 -2.7776954 -0.3602284 -1.6562577 1.5476396 1.2558798 1.1718377 -2.3225634 3.132999 -1.4850376 -0.6252215 -1.2399286 0.55103517 1.34107 1.9677031 2.73793 -1.695829 -1.5925077 1.3665113 -1.3830593 -2.8807771 0.36590564 0.52792823 -0.028052822 3.4483562 0.4634291 0.6257587 -0.47168323 2.3845108 0.5118064 3.6426663 0.1437246 3.4679642 -2.2323623 -0.0633519 -5.2732987 0.7075783 -0.0012930259 2.1525536 2.704207

Thunberginol F 7-O-beta-D-glucopyranoside is an isobenzofuranone that is thunberginol F attached to a beta-D-glucopyranosyl group at position 4 via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica. It has a role as a plant metabolite. It is a beta-D-glucoside, a member of catechols, a monosaccharide derivative, a gamma-lactone and an isobenzofuranone. It derives from a thunberginol F.

-3.1847644 8.181355 -0.014876157 -2.6219637 1.1000128 -15.196474 -4.676348 1.9194356 3.4699218 2.1245968 6.3194 -9.026084 -1.7450749 13.047416 7.425505 -1.946964 6.1046658 -1.006009 -20.421022 8.497839 -4.489767 -9.8776245 -3.9379976 -7.8969507 -2.6891303 0.062868744 0.02879215 10.05418 -0.5579797 -5.4625063 0.94859624 -2.1355093 5.123558 5.823822 8.403673 3.9173954 -0.0136629455 5.7295995 2.1498592 -2.1447253 -6.354537 1.9098601 0.056848854 -5.858205 -0.37724593 -2.7074316 6.5399976 -0.5129657 0.8618207 11.841913 8.690011 -0.46552953 6.4614434 3.6236331 3.4065666 0.8824303 -7.7843785 -0.46850118 -3.0696018 -1.1255726 -1.3810064 -3.2025151 -2.5341916 3.0003781 -2.6686037 0.33115932 2.1105182 3.0200295 -3.5089762 -0.34283817 3.4618955 1.3793114 -3.2847643 2.3366232 -1.1421359 -5.8992114 -12.736495 14.109907 7.79195 8.689425 -0.49159223 -7.0598555 -0.33599287 1.3556024 1.3279036 -2.215302 3.7470548 -3.12792 10.97165 -5.3805804 -1.6463287 -6.377171 -0.33563906 0.28080103 0.5358162 -0.88346624 4.641368 2.3907108 -5.9518003 -1.3626491 3.603972 -6.74482 -12.282825 -2.0338585 8.282893 3.7399838 -0.12491391 -2.3075368 3.7469769 -0.07500532 -5.620698 -0.4171391 -0.78082615 -3.658126 12.475124 -6.7092752 -0.5888851 0.7181921 6.559272 9.224025 7.671021 0.889679 -10.132647 -3.3405578 10.544654 -15.082857 10.371601 7.937953 -7.8823824 4.948152 2.1686685 1.538609 -12.240523 4.4331207 17.635916 7.9004073 0.7495159 -6.641204 8.285449 12.051257 -5.7232933 -0.45162603 1.3957574 5.4840236 17.632345 -8.261267 -5.8620067 7.124813 -10.851464 1.3846291 12.9562435 -3.2775915 -18.578175 4.4085894 -2.7791662 3.93723 11.510304 3.6489294 6.233629 -8.950577 -7.6901546 1.8217559 -4.9985647 -3.2396374 9.728854 -2.336829 21.560287 6.943887 -5.4209213 -4.5713863 1.697016 5.1848593 9.620795 -3.7998414 0.8314902 -0.7874336 8.685276 3.5428762 -4.314093 4.164597 -0.53515214 -1.3810005 -12.383249 -4.851554 2.759085 -3.9229386 -5.7218695 -0.7635901 0.4198753 -0.5139519 8.020068 1.5109658 1.6543866 2.8547945 -5.962611 2.7579238 5.615351 -2.2031205 0.4775708 0.04914888 2.667347 -9.33355 4.26821 7.7267966 3.0416832 -0.25704813 -2.6424758 -4.294648 5.954842 3.7052276 0.6470232 6.4064865 -1.3191934 -2.5591712 1.6527318 3.4365046 -0.9600982 3.4896574 2.3819659 -5.941054 1.9185294 -8.573947 -5.3530283 2.7059908 -7.4484262 -5.353019 2.1641726 -3.2020054 4.6858425 -2.8412914 4.3165255 9.295202 6.1642604 -1.3595942 -4.5724397 -1.365865 1.9596468 0.48747072 -5.5961065 -5.3785396 -2.217001 -7.921254 -6.0209427 -0.72797924 5.01615 -0.8371672 2.856161 -2.8014398 -3.9515615 1.1565096 3.7444704 8.924313 0.169821 2.7847304 0.41297317 2.8865228 3.5399685 -10.695553 -3.4656155 -4.854082 -3.4078774 -7.945959 -3.8873422 2.2336082 -6.479706 -1.8563721 3.6692932 2.7775307 4.5419087 3.8705451 2.9429004 -1.9387553 0.8498584 10.436663 13.442512 4.156338 4.059473 3.572264 4.5836506 0.74061793 -9.401018 -8.434414 -4.585138 7.1014776 9.034479 -7.593198 -0.05970645 -2.6982617 12.076065 3.1210191 0.6134726 0.12078963 13.116864 -1.984832 5.4786754 -8.9417925 3.353644 -2.7865622 4.977479 6.221097

Dyclonine is n-Ethylpiperidine in which one of the hydrogens attached to the methyl group is substituted by a 4-butoxybenzoyl group. It has a role as a topical anaesthetic. It is a member of piperidines and an aromatic ketone.

3.560378 5.7381206 -1.1288217 -4.3282723 0.612516 -1.2634145 -6.511701 5.186519 -6.4315867 3.2845304 5.227128 -6.8187175 -0.9281485 4.0779815 -0.7268501 -2.051597 4.509892 2.715758 -4.623472 2.221173 -4.5681252 0.53677535 -4.630858 -7.8512783 -0.15370476 1.5775167 0.71456903 9.505255 -4.427491 -4.1039963 0.65727687 -1.4026873 0.36414656 4.483719 2.3805103 1.220092 1.7513452 4.7434235 -1.6330761 0.624694 -4.807632 -0.84802806 4.1843243 -2.3687084 -3.897735 -0.3093195 4.3357415 -3.1001816 -1.9887182 2.2805128 5.8967185 1.2673509 1.9719698 1.0835572 -2.088923 -0.8265141 -1.2928331 -3.1561584 -3.2234683 -0.78903747 2.071101 -4.4010925 -1.6094848 5.0556083 1.1741452 1.9798546 -0.9098837 -2.0758972 2.0749917 1.9296753 0.24226636 0.33646408 -1.5858325 1.3385419 -1.1449732 -1.1898525 -1.1278584 8.050076 4.457832 5.147079 -3.1043446 -4.528701 0.16437654 3.375629 1.8015616 -4.04906 1.7052248 -0.3647485 11.159195 -3.6651294 -0.54113895 -2.0221937 -0.5521093 1.48257 -1.5406408 3.581263 -1.6329142 -2.1738098 -2.962205 2.7097027 -0.92434394 -3.0475752 -5.936342 -1.9189147 -0.25816804 3.3907294 -0.7509401 -4.0719028 -0.6077286 5.6864443 -2.0934277 -1.2473966 -4.2875195 0.12504223 6.6093006 -2.9431934 1.4669651 1.774743 2.735934 6.375114 1.2043753 0.3991547 -4.6676245 0.062358994 4.8367815 -7.8335085 6.9459395 6.37063 2.2742484 4.637357 6.4920373 -0.6290098 -9.2458 6.33906 6.1999927 1.9646893 -0.083713055 -0.33433962 4.255874 3.6506186 -2.5196183 0.37369218 1.3903539 4.3808346 6.4228797 -6.2346277 -3.6083522 6.859033 -3.949242 3.6164236 3.5704458 -1.3181627 -5.306695 0.5833924 -2.3109193 -0.011094922 3.276932 3.2519932 6.0183997 -3.8467553 -4.8809915 -1.3386472 -7.0776653 -4.6350617 2.6590562 -4.833331 8.320682 5.673174 -3.725074 -0.5655228 -0.3946238 0.72235465 3.8943222 -1.1036916 0.043858036 -1.2037537 2.524238 2.333059 -7.722743 -3.3110032 5.8812437 0.6384875 -5.114 1.0235692 4.6237626 1.3611355 -1.6973526 2.2895186 -2.019197 3.6941042 5.671329 2.0069602 1.8081158 -1.0664058 -5.315865 -0.9297457 0.8714396 1.399531 0.8775471 1.8343278 0.2758718 -5.0474467 1.0118403 3.6127443 2.159065 1.5726976 1.0794787 -0.39449465 1.3358238 5.030344 -1.331539 0.47621372 2.0293972 -1.4936044 4.9389853 0.04529213 -2.2285638 -3.3775895 0.078948565 -0.15154602 4.13864 -2.9871023 -6.7225833 -3.8038359 -8.267569 0.0113390535 0.6137014 -1.4206693 -1.332672 1.0855373 -1.3040783 2.1801643 -0.091319345 -2.4359176 -0.061849922 2.7612183 2.0443265 0.5690388 -0.09204571 -1.9048129 0.051866297 -4.2112417 -3.300985 -0.6333873 -2.625863 -1.840872 4.4045224 1.3034039 -4.875367 3.4713988 5.647231 3.8643475 5.571514 -0.4393242 -3.952131 1.2811042 3.7458382 -5.310964 -1.5120025 -7.484441 -1.4743001 -1.7830894 -3.6924436 1.0682676 -1.6646441 -0.84753275 -2.6082711 -2.0888705 4.2277007 3.1139612 -0.37183255 -1.9135994 0.82588756 4.721187 8.350265 -2.3746748 -3.2708688 -1.3945944 -1.99866 -1.9012587 -7.152542 -5.0932856 -4.98488 1.1687976 3.7687993 -2.2352738 2.5797362 -3.236307 4.185209 0.8309656 2.7805243 1.790462 6.555408 -1.2170382 2.5304294 -5.974183 1.9761413 -0.4938789 -0.31052965 5.724968

Furan-2,5-dicarboxylate is a dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of furan-2,5-dicarboxylic acid; major species at pH 7.3. It is a dicarboxylic acid dianion and a furancarboxylate. It is a conjugate base of a furan-2,5-dicarboxylic acid.

0.70039684 2.1017115 0.52714527 -2.6217854 -1.6480653 -3.8550096 -1.988961 2.8607605 -0.30436903 1.3900954 2.9154644 -1.6197474 -0.3768823 -0.015548515 0.24135406 -3.32348 0.3224823 -0.64568275 -3.0413136 2.0753841 -3.272 -4.020964 -2.2522097 -3.6021779 -0.005911261 -0.534381 0.80713296 1.8113227 -1.6697705 -3.9204242 -1.6649503 -3.254878 1.0007607 2.2209842 1.2458682 2.7349946 0.81975955 2.242549 0.9510789 3.654105 -2.4015784 1.4324154 1.3373435 -1.0376513 0.030096889 0.42827868 2.6298056 -1.8455002 -2.1631868 0.7401086 5.88404 0.2756645 1.9953558 3.537496 1.3822312 0.019640304 -0.6320723 -2.98886 -1.8485587 0.9147093 0.49268198 -1.3599234 -1.470314 -0.34398574 -1.2130318 2.583839 1.6832845 0.6640216 0.18519247 1.0354173 1.7357106 0.5392036 -1.8987026 -1.4830909 -3.8238676 -1.4813182 -3.1058965 0.6319618 1.3844117 2.668034 -1.1994205 -4.1078777 0.01623471 -0.39218313 1.1755822 -1.2193524 -1.599874 2.353342 1.0018349 0.816288 -1.6109415 -0.489469 -1.1624383 1.9130851 -1.4148319 0.21206038 1.4351091 -0.70481765 -2.7663617 -0.591073 0.6026156 -2.9924 -2.4412193 -1.9408395 0.034876086 -0.34217152 -0.26698655 -3.014802 0.47306192 -0.12380486 -0.790238 -0.7271981 -2.2575662 0.18709186 3.587698 -0.76733136 1.6011453 -0.9107555 1.8824903 2.0205166 2.6010609 -2.2889786 -2.0479333 -2.3479886 2.275964 -2.7168615 3.5158243 2.621746 0.22844808 0.39471734 2.714653 1.4661936 -4.057558 3.3701825 3.3026695 2.3035328 0.2778918 -2.06442 3.5530148 2.3268003 0.44207418 -1.6736846 -1.0520364 2.6384354 4.943086 -2.6816282 0.50875056 2.2664807 -0.6347984 -0.7942907 1.8406827 -0.8163454 -3.4113197 -1.1241617 0.30122122 -0.5462951 2.6080158 -0.45288903 0.33515167 -1.673778 -3.068725 0.45040062 -0.54853207 -1.6510919 3.096154 -4.29001 5.1236916 2.135325 -3.9387078 0.0861699 0.31008327 0.28830427 3.098164 0.5156284 0.64764696 -0.86770546 2.5587249 2.4070911 0.39822474 -1.205151 3.7124846 -0.26597887 -3.5241785 0.18099691 -0.95011675 -1.3486757 -4.062489 2.1070077 0.21733832 1.3283528 4.257911 0.53224874 0.15867962 1.0151901 -3.9260418 -0.88035196 2.4901626 0.4834274 -0.88464254 -1.5713519 -3.5445383 -3.180336 -0.059871554 4.711116 -0.96355665 -0.77976227 2.8578525 0.025521263 3.0242872 3.0287535 -1.6421282 0.47690403 0.5049001 0.22641414 2.921705 -0.031639084 -3.2113826 -0.39075094 0.3652057 -0.55670375 0.95993143 -1.7184836 -3.748551 -0.27959076 -3.9218524 -0.48022604 3.5248866 -0.3680183 -1.1884773 -1.7915881 0.89563 4.0671954 -0.7290805 -0.6433052 -0.27375388 -0.5571468 0.26951396 -1.150763 -0.017078072 0.04410135 2.4532318 -1.9398184 -3.0151508 -0.36641866 1.1582603 -2.7518 2.7559884 2.55189 -2.4973648 -0.0149253905 2.963538 2.2352285 0.9956609 -0.53920656 -1.9597046 0.8241745 2.3538196 -2.2511847 1.0276296 -3.787354 0.8386042 -1.6168479 -0.8004651 0.61588806 -2.7608218 -0.1317413 -2.135239 1.380001 1.860506 1.0116485 1.4541684 0.33721092 3.532514 5.5959883 3.889515 -1.7481158 3.289944 1.0835788 -1.6151795 0.20333573 -3.262754 -1.7466079 -1.5318844 1.3885226 2.2283115 -1.493324 1.8382301 -0.5480152 1.3708694 -0.026884869 4.522837 1.1253154 2.7989237 -1.3514394 0.8874344 -2.8802533 -0.061386712 -0.32149833 1.4473406 2.6704078

(2E,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4-) is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA.

13.322664 27.865032 8.989706 -16.389566 5.644909 -29.537617 -12.213092 18.21586 -8.353863 22.226978 33.83373 -21.76909 4.875564 7.673187 7.629397 -15.40585 9.293206 9.559181 -44.21335 13.120137 -22.191431 -18.41417 -16.162918 -30.555637 -23.34865 17.096195 6.4659295 32.217953 -15.278013 -21.517567 -0.11621375 -9.710236 -2.6741374 20.408764 36.537018 17.875338 1.4919077 33.311707 -1.3586745 13.097816 -10.54245 -16.187845 -6.898374 -9.859014 -27.978275 4.4965763 6.211188 2.195832 -7.8943005 12.975873 33.84677 6.779325 23.210632 17.862604 22.201614 -15.762728 0.45800254 -0.90105665 -7.511408 -17.196611 5.0231056 -24.676523 6.3925276 30.01904 4.6964617 0.7370467 8.482248 1.0725138 11.521504 -12.24025 5.1097574 2.0806262 -23.706978 11.427981 -3.676295 7.1279173 -21.128633 18.539558 11.698155 8.4631605 -15.1220455 -9.173771 2.3557403 21.968283 5.6883054 -2.6321118 10.94117 7.673382 30.939508 -20.7037 0.06589009 5.7294197 18.506443 -2.075758 -10.554352 -2.6306157 13.674287 -0.701044 9.541659 12.720588 16.475227 12.14209 -17.348711 -1.5261815 -14.958108 6.3377943 2.1319351 -0.36394453 15.461022 32.105175 -24.609226 0.5349655 -26.763128 -9.309977 14.97266 2.4289625 -13.45475 10.128107 23.749958 26.37519 39.623898 -1.4187815 -21.460163 0.7642102 24.357546 -49.98574 39.546963 34.000626 -7.2149906 34.161976 26.991325 -13.747287 -22.05385 21.450958 34.263893 -4.717571 15.413614 0.1223045 40.82637 18.794968 -5.7893004 -5.0911555 8.658201 21.969952 38.455334 -43.31608 -10.724082 41.04395 -32.956894 0.15991178 14.252069 -1.2646407 -33.54449 4.7735534 -10.814874 8.018633 16.95953 32.393597 41.945442 -13.701349 -26.408321 10.710831 -22.83876 -18.40445 23.811863 -8.212275 27.92813 27.329601 -22.12733 7.861683 7.9369016 22.505634 8.407911 -2.6592882 0.5387963 -4.534208 39.36666 12.489352 -11.418759 -15.398059 1.8439437 3.8263853 -12.329997 -3.817648 21.54918 4.399663 -7.8263273 -5.1853704 10.250886 10.840583 15.650489 28.03169 1.4831992 -4.6858554 -3.9240644 12.245107 9.49084 2.864474 6.6391516 2.9465756 -11.186412 -8.409051 14.391294 16.589527 7.6104984 -6.589111 4.068519 -9.405407 15.91689 8.256935 -4.9442306 5.788939 11.827313 -11.130007 3.4252305 4.898025 -4.444319 -1.4869821 21.719847 -6.7959228 -8.078807 5.408229 -17.653934 11.577736 -40.432617 -2.90744 -14.930714 -4.2824845 -6.5013885 7.933509 3.4588208 15.524843 -8.169595 -13.861437 4.507176 1.6807406 32.968044 -8.3659935 -12.093983 -10.366285 3.4874876 -4.2762403 2.311895 -11.13798 12.284954 8.094369 1.7491868 -6.6204267 -9.093194 17.728258 24.747719 8.364309 4.4323273 3.0343754 3.0077302 0.32984114 17.522894 -25.014318 -18.05374 -12.825128 4.386422 -14.488835 -7.8302326 -9.762866 11.216041 -2.2810931 13.944326 -3.7786415 21.948132 -9.58896 -8.927509 1.5659636 13.356797 2.6821873 16.9323 24.175835 -2.7573266 -11.752472 13.615424 -4.3127766 -7.2411056 0.006657684 -15.189928 1.8504325 23.622887 3.7265134 1.9448235 -12.973497 16.759592 7.3332853 22.763931 3.922267 20.02726 -6.1571264 10.883851 -18.068756 2.7793183 10.025859 7.3414965 10.546124

(5s,8s)-3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is an azaspiro compound that is spirotetramat in which the carbonate ester group has been hydrolysed to the corresponding hydroxy group. It is the active insecticide of the proinsecticicde spirotetramat. It has a role as an agrochemical, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and an insecticide. It is an azaspiro compound, a member of benzenes, an organic hydroxy compound, an enol, a member of tetramic acids and an ether.

2.457687 4.6267 -4.305712 -2.979905 -3.8631706 -2.1207685 -4.8418045 0.8200164 0.79969114 2.7384553 4.8952947 -6.545378 2.0069227 11.496492 3.2989552 -1.0133582 6.666692 -0.3011294 -8.684306 4.638849 -2.5868812 -3.5139203 -2.0021887 -2.1750934 -3.0139868 -0.48832408 -1.1154451 9.596417 -2.6421864 -5.255335 0.8775065 1.4982988 1.9228528 5.628405 4.771973 2.8584213 -0.9848575 2.6352415 -0.9688374 -0.87432784 -1.3828857 3.3794527 5.1874733 -6.045571 0.39224863 -2.6119747 5.6317744 -3.3074362 -0.39842916 3.8903046 5.3748264 -4.1456685 2.091348 2.8467 -1.1243119 2.5706592 -2.6303515 -2.0082304 -3.738055 -0.102247804 0.9590584 -2.2847023 -2.4004204 4.771835 -3.6898482 -0.35918882 -0.16773279 3.9446912 -0.5120369 1.4969635 -0.003562495 2.063991 -1.9927533 -2.520652 0.70360327 -3.5181818 -3.4907176 8.332129 7.4908032 8.588513 -0.28003737 -3.4374714 1.9081762 4.009001 0.5262791 -2.7449298 2.1704128 -3.747459 9.5084305 -5.308532 -1.1473756 -2.7241492 -1.3257318 1.0034556 0.2188547 4.6218524 0.08284629 0.71492493 -4.1328583 -0.13053152 -1.8746756 -9.048826 -7.2455487 -0.3845908 5.83082 1.5336266 -1.0496266 -7.736389 -1.9973371 3.7679543 -3.4520533 -0.41465577 -0.7090059 -2.028888 6.642091 -2.8665977 3.3042133 -1.0752851 1.9680661 5.601347 1.2567239 0.43223614 -4.5288796 -2.1927257 7.028839 -8.294555 7.089423 1.5503638 -0.8458797 5.075347 4.8063426 0.538893 -9.434491 1.1350858 8.352625 3.1538782 2.869957 0.9724536 4.9675207 8.257226 -4.4091506 -1.2996522 -3.1566823 2.8143435 5.1485586 -4.9412 -3.9483228 3.7416573 -4.671386 1.0435516 2.608081 -1.8201913 -12.295114 2.3390527 0.25342077 -0.89593136 4.909243 3.316191 1.3344061 -6.3363066 -2.8292582 -0.0074570775 -6.785425 -1.1142344 1.2779114 -3.9801035 8.647022 4.6293483 -3.1196918 -2.3815622 -0.7193019 1.1095086 4.006854 -0.9962095 -0.21297336 -2.990883 2.2424152 4.909809 -1.893007 3.12662 2.2931821 1.7701831 -5.0235224 -2.0554757 3.358745 -2.5018735 -5.2689123 4.248996 -0.28383297 0.84903353 5.7174892 2.3690584 1.8906116 -2.7940176 -2.2274833 -1.2402976 3.6790972 -3.7167363 0.45855847 1.1897303 2.2129161 -4.95773 2.7813725 4.252109 1.8607469 3.7430856 1.4100745 -3.0285387 3.7423062 4.510601 0.08019951 5.167936 -0.2714554 -0.24004976 4.023555 1.0163543 0.06682512 2.5220156 -0.21708742 -0.4001689 3.8602438 -8.096465 -4.8377805 -1.423351 -4.246573 -3.3757367 4.164454 -3.2631319 2.2436242 -2.4009054 2.325395 5.8052993 4.4121795 -3.6437984 -0.73631394 1.1425467 -0.80648446 1.2496117 1.5472922 -3.819995 -1.2316409 -5.942459 -4.7796206 1.4731456 -4.0770135 -3.7568586 3.3081474 2.3206055 -3.358619 -1.0704092 1.7033908 3.584457 3.3585196 0.4056542 -1.2771889 3.0607915 2.9878259 -3.7799828 1.5792248 -4.9510055 -3.1100943 -1.6313689 -6.846514 2.888333 -7.0597854 -1.2850745 -0.8468777 -0.4547736 0.5105934 2.991456 0.6882849 -1.4182329 -1.7095248 7.4860234 7.0370646 -5.4916754 2.3013432 3.3824964 -0.016080886 -4.2170177 -8.877721 -6.4928465 -5.128506 5.476206 2.9056947 -7.13922 -2.4231653 0.39433685 6.8066607 1.0891509 -0.4525684 -0.50077534 9.203205 -2.755058 0.06799145 -7.452882 1.4114981 -0.21598476 0.1825892 5.3204393

Ditrans,polycis-polyprenyl diphosphate(3-) is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of any ditrans,polycis-polyprenyl diphosphate; major species at pH 7.3.

4.23107 6.798406 -0.26512536 -8.034241 -2.9406998 -6.2279716 -2.1680415 7.712729 -1.1611335 8.937683 10.46938 -5.224555 4.482633 4.225878 3.7880929 -8.708837 3.497985 0.94671524 -13.587417 -3.8359559 -2.997955 -7.9339933 -7.082892 -8.6783495 -7.266335 -0.7807735 1.879479 15.856151 -6.238602 -7.121032 -3.1857114 -0.9016168 2.025293 2.6365461 11.848222 5.454339 1.2148116 6.68253 -0.6538374 -0.5762751 2.119515 -1.9068978 -1.0345082 -9.561804 -9.142231 4.8390245 2.9183204 0.1809673 -2.3588347 1.8289156 12.250217 -5.4124637 10.006456 9.371434 8.765734 -4.499123 -3.350079 -4.4295316 -5.3046517 -7.846927 6.4799657 -6.510331 1.9306009 11.143288 -2.87863 4.4106684 4.230726 -4.300538 9.677437 -1.2547417 5.0201387 5.7262177 -13.842115 2.8618605 -2.925622 1.1638904 -10.187919 2.866096 4.287667 -4.8201857 -5.9587927 -2.626772 -4.0936327 1.6230431 0.63820136 -0.04012835 5.127615 -0.05431238 7.910112 -1.7117642 -2.0833464 3.2050138 9.265798 0.22510418 -3.6648402 1.099639 10.357126 -0.97200024 6.4913797 -1.3645611 6.589959 1.3476965 -8.155617 -4.6169815 -7.319846 2.3365211 -0.6704685 -3.8098135 7.852965 7.519999 -7.0431795 0.41218925 -10.5201 -1.1011598 1.740537 -1.4917216 -4.757919 0.5124458 7.1652737 10.446934 12.1778145 0.8089035 1.6768115 4.56013 2.9205399 -17.423803 11.66962 11.572664 -0.4800989 10.92343 6.3665123 -1.1514931 -11.386011 7.333435 11.094148 -1.2015994 3.8684707 3.2934864 19.67033 9.505509 -5.334386 -0.697528 -3.213501 8.282758 9.057386 -23.451359 -0.61444217 8.307679 -14.216987 2.6342726 -2.8348205 1.4304512 -17.436403 3.554168 5.075799 -0.12538987 7.646716 14.849634 16.182467 -6.01251 -13.655461 5.3181596 -6.1153073 -9.070154 3.7905648 -3.5808287 3.7336495 9.326343 -11.182701 2.3919694 6.9403005 13.206941 0.17678115 1.6477613 -6.880662 -5.1592793 14.803035 9.758574 -0.14330009 -6.149932 -1.4308046 1.6476148 -8.600633 -2.3383532 6.7011766 2.0478709 -3.118678 0.09665588 1.1289743 1.4351593 1.1260006 15.7169 5.111223 -3.2198122 -1.6763172 1.2348664 8.522754 -0.561961 -1.4785602 4.1781836 -5.387676 -1.2322872 6.8257413 8.674251 1.124248 0.025156401 2.2189481 -2.7063155 5.6065254 4.429712 -6.6367083 1.9423254 -0.957167 -8.059389 1.6745677 -2.4784033 3.55339 0.380508 11.908104 -0.25134924 -2.0845258 7.3172846 -7.451165 5.186186 -11.757881 2.4395518 -3.3745282 1.7170637 -1.2557119 1.8492763 0.16523543 5.225424 -3.9232755 -6.0923195 3.6650047 -0.028767832 6.405771 -7.818745 -4.5847206 -8.27444 0.8015024 4.3440533 0.81483954 -6.496056 1.9105291 3.5157514 -0.31556934 1.1336104 -1.615055 7.066203 3.086606 -0.67664915 2.0317311 0.5954998 1.9724166 -1.4723824 3.9476788 -8.0333605 -2.9192345 -2.70073 -0.94799227 -9.220751 -2.9076912 -1.6701374 2.9417465 5.024852 2.596193 3.3185492 4.9475665 -3.6547332 -4.320181 -0.19088806 7.4418316 0.4577158 3.9922996 8.40366 0.28209484 -3.7205603 4.3533473 2.0746765 -6.6072392 5.8089843 -10.09074 -2.5860503 7.2392473 -3.7938395 -0.02381267 -3.5198014 9.039761 6.1558657 10.520217 4.1244135 5.4936166 0.6092787 1.0025163 -6.2277594 -1.7492731 6.4718146 4.0137553 4.503043

24-methylhexacosan-1-ol is a very long-chain primary fatty alcohol that is hexacosan-1-ol substituted by a methyl group at psotion 24. It derives from a hexacosan-1-ol.

2.738003 2.6396925 2.2550924 -9.686115 2.638538 -4.5676236 -2.5465333 6.9466314 -7.1044884 4.0563345 5.372468 -11.957 0.79133666 -3.0757072 -2.6237574 -5.1500072 -3.9275892 5.90317 -9.460839 -1.3977877 -7.4579706 -3.8008788 -0.3740459 -16.665543 -3.0914707 9.995142 0.32425892 10.906472 -7.2472415 -5.3057604 2.1377234 -5.981495 -1.9925977 6.4495463 8.816613 6.6551285 -7.948648 16.945507 -3.9443085 8.321149 -2.5841882 -12.487404 -0.8386187 -2.0983002 -11.93614 -0.90076005 -3.696385 4.59586 0.2607018 9.221567 7.246992 4.046308 6.2441573 6.4016495 4.7840133 -9.689634 2.3104384 -1.4840957 1.3396806 -3.901226 -3.6563506 -13.777628 1.6965904 15.843572 8.449031 0.3994444 -1.3882259 -1.204197 2.4639485 -2.9612267 -1.69162 -3.252508 -4.922993 7.4332857 -2.4644485 0.16514629 0.11873452 8.237074 1.1953343 1.122311 -8.499456 -0.8204367 0.4237168 8.11597 3.0201302 -0.474324 5.2386136 2.7254596 15.757219 -6.716587 3.1192904 8.264797 6.7758713 -2.8973074 1.4351006 -0.9298272 0.4784714 0.9653006 5.7238164 10.73028 6.178136 6.607099 -6.0018315 -0.19109741 -10.573086 7.042797 2.5181892 4.0639167 4.542917 10.992254 -5.7804236 7.325905 -9.582116 -2.2176597 2.037405 -1.9922066 -1.1948602 5.0118093 7.055266 12.912881 14.196733 6.0959344 -9.935715 0.5505395 3.7575793 -16.907288 8.019942 12.391963 1.6896341 5.734631 14.858546 -9.861679 -5.0040784 4.9267817 7.10292 -3.2525375 6.303331 4.07407 16.061518 -2.4195633 -10.109684 2.329322 0.25568402 5.5036287 12.475506 -18.014994 -7.071983 12.974694 -9.694339 2.1961482 3.8624787 -1.0610405 -7.853729 4.586057 -6.62559 4.096931 6.883139 12.636091 17.165455 0.2969817 -10.410308 2.1976154 -7.4727287 -9.819923 8.661439 2.9372323 6.768894 11.964142 -4.7636256 8.52237 4.5690427 10.9692545 -2.7773464 0.92721105 -4.1900053 -2.1419072 15.764213 6.503799 -16.726797 -17.748386 1.2637805 1.8471061 -5.2014 1.6051172 8.876645 5.7065773 -1.9084402 1.2486203 6.847199 11.817818 2.5292284 15.552445 -5.3315306 -0.38329113 -0.5382123 1.8912663 -0.0022390909 8.442259 6.8681717 2.6708186 -7.9706903 -1.2663938 4.9958105 5.338901 2.1080463 -10.886029 1.0999422 -0.12015538 -0.02473113 0.4089483 -4.9881854 -1.7743037 5.9078636 -11.501682 -0.7122768 -1.6220744 -8.761873 -1.0723784 10.011176 -5.1435266 -4.6861987 5.6876903 -6.362469 5.458601 -22.443996 2.4503138 -6.5074925 0.47310948 -7.7498245 10.1336155 -0.78765553 1.859771 -6.908573 -4.9320183 1.4094374 0.26626897 13.48639 1.0845745 -4.270253 2.3259795 -2.5239527 -4.223846 5.0483413 -3.3721628 4.4419928 5.951397 3.2457094 -4.2323675 -5.4617233 8.421186 6.7029324 -1.9336717 -0.95588326 3.0029283 1.4374802 -4.2729306 5.9498305 -9.269976 -9.082646 -4.578214 0.8600843 -6.333158 -0.8093715 -4.737688 7.7970066 0.013205856 1.7996893 -8.405589 9.528395 -2.9832401 -6.4657025 -6.178896 0.8427978 2.084703 1.3503537 12.834321 -4.4738946 -4.882019 9.461142 -6.078024 -7.147134 -1.8366392 -4.014691 -2.9327557 10.910457 4.317881 1.073667 -0.016347215 7.778023 7.6221867 9.508851 3.9265738 6.4409895 -0.36760923 3.4313226 -9.950824 7.3130856 -0.63057995 4.7622643 6.870239

(3S)-3-isopropenyl-6-oxoheptanoyl-CoA is an oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of (3S)-3-isopropenyl-6-oxoheptanoic acid. It has a role as a mouse metabolite. It is an oxo-fatty acyl-CoA, a branched-chain fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It derives from a heptanoyl-CoA and a (3S)-3-isopropenyl-6-oxoheptanoic acid.

4.711929 20.60066 3.2842057 -8.108637 4.30985 -25.98149 -2.0734282 15.478989 5.0601735 15.593385 13.974665 -14.994908 -0.7390153 9.41727 5.8079185 -8.79766 9.593895 -2.9649796 -34.32461 14.657135 -20.30877 -20.387978 -21.280506 -17.556253 -17.491865 5.6073117 6.1895547 21.174435 -6.9107885 -14.697635 -0.8522443 -0.8279863 3.0297022 15.718069 19.686031 8.14353 3.487507 19.51681 0.9055387 4.4001527 -11.441567 2.3719387 -4.556678 -8.517291 -20.227365 -0.754547 7.0784993 0.6236101 -2.4599962 12.308466 21.466125 -0.9969966 12.80037 12.410565 20.458942 -4.000031 2.8742998 -0.20776936 -7.6247864 -13.746061 4.76948 -13.244063 12.696578 18.282892 -7.9377646 1.4721917 7.9246387 1.0568794 7.3090253 5.4146986 2.2492547 11.089457 -23.818104 9.055629 -1.7480648 2.1631732 -21.089695 9.669377 6.4283876 7.397504 -11.896408 -9.677625 -1.767961 10.055382 4.5158978 -4.6673613 13.177576 6.4863396 17.660933 -8.859878 -5.545704 -0.8761792 7.5781145 6.421745 -7.1345787 0.018005565 15.323722 -3.4864748 4.9622498 1.6931036 11.994793 7.8357506 -13.908491 -4.637571 -2.0252907 -3.242628 -1.4574895 0.0093199015 7.9103265 22.65016 -18.085659 -6.005735 -14.698983 -1.1055577 12.722213 -4.1612186 -2.174467 3.0525002 13.65261 15.003367 16.300518 -0.45243835 -24.32899 -0.82863426 10.310695 -22.307655 30.177479 17.047 -5.1068277 20.529213 14.898255 1.8698497 -21.588518 21.268778 28.28805 -0.21996288 5.4857373 1.0443059 32.35353 16.638943 -3.6215494 -6.67442 3.40922 19.934505 29.147243 -27.745993 -5.8091364 25.50423 -26.229893 5.2629147 14.4085455 -0.1583065 -27.57667 6.422081 -5.089225 4.948468 21.618956 23.310158 25.632275 -13.145587 -17.026173 2.4748666 -21.292582 -13.330673 6.4605875 -12.3469095 31.383364 13.286304 -16.987846 -1.4856424 5.681138 13.653232 12.921351 -5.1265593 0.691766 -7.7096047 27.982914 12.428787 -3.2069645 -6.397589 4.0228 -3.5754364 -8.402268 -1.48838 17.478298 2.097506 -5.967371 -3.2205536 4.2268944 -0.6321 17.96053 14.556001 4.682922 -6.6984076 -5.7059336 7.202427 5.235125 -2.706715 -2.0765374 -1.5252478 -9.87883 -11.496544 13.616835 17.476557 1.8746889 2.0968099 3.559081 -3.5963964 13.800901 14.327922 5.3296733 5.457561 -0.47192708 2.3739035 2.0237305 12.589488 -6.686427 7.9039636 15.175387 -0.5194619 -3.5536351 -4.588285 -9.548 10.053852 -19.628185 -8.231818 -6.738603 4.879564 -0.3292881 0.14052351 0.31866324 12.7320595 -8.069828 -7.848963 1.3411404 2.9868066 17.971422 -4.710639 -4.682975 -7.0280704 6.8413014 2.4977007 -0.97380656 -7.308923 12.188864 -3.1546204 -0.21747075 -9.265478 -5.2738843 -1.6961111 15.20197 9.5521555 4.894536 1.6678827 -3.059055 8.048929 6.154255 -21.295744 -4.2390575 -2.1825085 -3.547219 -12.032635 -4.0029097 -3.9830954 5.5197077 -1.4353449 9.720199 3.8414476 9.80212 -8.222969 -2.6010888 6.0750117 13.735077 -0.4807001 23.215235 4.413983 -4.7723484 -12.785779 -0.39235038 1.3469381 -3.2639062 -4.2702746 -8.51471 1.0674275 12.55118 -11.751144 -0.556963 -6.930746 11.010696 -5.677932 17.14491 -4.0427732 16.189808 -6.7178235 1.0527725 -20.81482 -1.4936672 8.873766 8.064809 9.011688

(2R)-2-[(1R)-1-hydroxy-16-{(1S,2R)-2-[(20S)-20-methyl-19-oxooctatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid is a chiral mycolic acid analogue comprising 3-hydroxypropanoic acid having a tetracosanyl group at position 2 and a further long-chain alkyl group containing cyclopropyl and keto functions attached at position 3.

9.629089 10.859191 4.7420964 -26.154228 8.8404 -15.8418865 -8.104529 23.557459 -21.112082 12.111923 16.598598 -37.39798 1.919256 -13.182043 -9.378772 -13.191876 -10.222821 20.998926 -30.622488 -4.574564 -22.677553 -14.623231 -2.0112433 -51.64662 -8.903229 35.864464 2.0373118 31.909895 -21.646107 -18.10595 5.546143 -18.251394 -2.7728603 21.355684 23.707716 19.943815 -24.987886 53.58495 -12.695585 28.538818 -10.864533 -36.958294 -0.72639585 -5.6176863 -37.133556 -2.373278 -12.135547 12.516652 -2.5910378 25.477606 24.266647 12.798437 20.031668 20.217152 18.623436 -27.930021 6.5815067 -3.8939204 4.3174286 -10.1351185 -9.215731 -42.394753 3.4033804 48.80431 25.659777 -0.20374885 -4.1069508 -2.8252263 10.335653 -9.077236 -3.007784 -7.9193373 -15.078005 23.088839 -6.1644144 -0.77342767 -1.1183121 21.090216 4.015209 4.819308 -27.561285 -6.957669 2.6059513 27.006296 8.659914 -3.8757532 15.291003 10.537983 46.188744 -22.253077 11.977305 26.5569 21.888002 -6.6215324 2.7392204 -2.8049958 1.9631686 -1.1220528 18.011545 30.651838 20.314512 19.788084 -19.916456 -2.0982068 -30.840508 21.077456 4.525077 8.702104 13.458704 36.807438 -16.408508 22.748865 -28.662487 -4.4969373 7.338926 -6.5803986 -2.2115326 14.734182 23.97279 38.246376 42.027172 18.457794 -30.849815 -1.7518718 11.976091 -52.6381 26.092438 39.54564 4.9057446 19.44846 45.449814 -27.911215 -14.5152235 15.006233 24.524063 -10.86536 21.24822 13.833687 49.50145 -7.647253 -27.974257 5.4129543 3.1087174 19.611704 39.49777 -53.78519 -20.317774 39.729103 -28.216969 5.7730093 11.232191 -1.5139167 -23.83733 10.122011 -20.560232 13.755904 24.093353 38.074993 52.589684 0.7906319 -35.433846 8.395031 -22.378777 -29.87825 25.768642 6.1700373 20.706573 36.031517 -15.625887 27.244934 11.971775 32.190437 -7.1395793 2.956154 -11.439467 -5.021703 48.905632 21.099579 -50.6607 -52.8802 5.5232005 5.849226 -17.597322 5.342407 29.088707 17.951204 -6.4402413 1.353574 23.450243 37.478683 8.443374 47.705593 -13.907982 -3.507318 -3.8703115 6.4441285 -0.13359156 28.03325 21.038233 6.144419 -27.46328 -3.2561698 13.813494 12.916207 7.7964225 -34.010975 3.818039 2.1675692 -0.41156495 1.8072131 -13.875576 -5.2761226 20.46326 -35.751648 1.004517 -4.665508 -29.618223 -6.3942842 31.89198 -16.49133 -12.734045 19.151865 -19.990967 16.689205 -69.50759 7.0160108 -21.052567 0.5503876 -27.438667 32.553543 -1.4314446 6.401778 -23.643604 -14.764333 2.4186056 1.1702737 41.914146 3.1105237 -13.844067 6.4069805 -6.7403307 -14.840009 11.844689 -7.7410254 12.095668 13.604968 10.088164 -11.605434 -15.528175 25.95976 23.097126 -4.703134 -6.6123123 12.456757 3.5066519 -9.555755 21.368681 -30.834412 -28.332195 -14.499771 4.0853 -22.218906 -1.6985506 -15.7922735 19.752752 -0.22825806 2.1609924 -29.226484 29.226028 -12.779217 -22.046318 -17.16101 2.195072 7.9606743 3.4854853 39.48469 -16.86551 -19.044106 25.772717 -19.437685 -21.355331 -7.713389 -11.376946 -10.905539 32.92833 12.482286 3.621537 -1.0360987 25.436369 22.350756 29.545773 8.098732 22.164276 -0.53743947 10.502462 -30.009947 24.489746 -4.460147 17.02487 21.93178

1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate is a methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group. It is a methylindole, a secondary amino compound, an aromatic ether and a benzoate ester.

-1.096601 5.921743 -1.134334 -4.9594526 -1.005464 -6.694807 -6.9873996 4.194709 -4.5090604 2.5057003 8.131405 -4.2866983 2.2984924 7.9636393 4.9550424 -3.5742292 6.658544 2.1008205 -12.613677 4.8024426 -6.077812 -1.921668 1.9870272 -8.584119 -2.696996 -2.4312143 0.54673517 11.438395 -4.3652134 -5.7271194 -0.63350815 -1.5593014 2.9317455 6.9348855 1.9510672 7.9406953 4.567966 3.9823735 -1.249077 0.9240279 -2.598109 3.1920905 -0.027910411 -8.745743 -2.351225 -3.556913 9.242789 -3.0352423 -0.41795745 6.1873875 9.422168 0.54500407 4.614606 2.715859 0.6501268 -0.80682224 -1.2948898 -5.5334787 -5.6900125 -0.9966711 1.1784692 -1.7401263 1.2484542 5.1898956 -1.326648 1.5807433 0.3472097 0.19975567 1.463757 2.8342457 -0.26487735 5.889511 -5.9117594 3.399387 -2.642616 -0.12417209 -6.992387 6.1979885 7.5406256 9.874866 0.49442258 -2.1299675 2.2107995 2.5820708 -1.8329228 -3.046368 3.163989 -1.3028361 9.930383 -2.6299505 -2.96561 -6.4052324 1.6300764 3.617388 2.3075852 3.922289 1.705905 1.3569102 -4.1436605 1.6898984 -1.7055306 -3.4856076 -3.7896297 -3.1922984 1.9610459 -0.16768365 -0.879584 -5.5574527 2.2502074 5.2411733 -3.4129136 -7.518551 -9.048566 -3.1523383 6.000927 -2.858531 3.4277844 2.1210933 0.16643935 6.60884 2.1964123 -1.7412157 -5.0023947 -2.3965335 8.25637 -10.81953 8.450457 7.6196837 0.7541888 5.7755632 7.7481737 -1.5902473 -10.146216 3.990178 6.5860167 2.5126235 -4.9531245 -3.313909 3.939473 7.459494 -6.7762523 -4.2618623 -0.73888195 4.7743993 13.117782 -12.026436 -1.6277875 4.3999786 -8.810325 3.4466305 8.364486 -4.338575 -15.86184 4.4638643 -1.2158719 -0.004516444 3.379498 1.7758658 4.8208184 -10.131726 -2.3881304 -0.32483572 -6.1202645 -5.8854146 5.3476987 -2.3015199 11.163922 7.486271 -4.99088 -3.360444 0.90026325 0.8340233 5.162209 -1.7161771 4.0421066 -5.421938 7.7102346 3.6708984 -7.797277 -2.259804 9.982587 -1.5901792 -5.010923 0.86381286 4.08421 -0.4660781 -7.5863957 4.787234 -0.81351835 1.3025974 7.011529 -0.18802553 -0.13524777 -4.036324 -3.288709 -1.0061324 3.7211232 -2.2896419 -0.20406684 -0.521453 -0.8622083 -8.955102 2.9689155 3.5047462 -1.3245957 2.071467 -0.12000084 -2.030566 6.9071927 3.4025476 -0.5092679 8.170758 1.1896969 1.1669097 5.410232 3.3639073 -3.199711 4.76443 2.2712896 -1.0120244 4.0453515 -7.487422 -7.6551557 -2.925098 -12.005948 -0.13788116 5.809864 -1.3379685 1.4313778 -1.9860865 2.7255447 11.517831 0.6235133 -4.1773763 -0.88792497 0.24141006 1.0174425 0.527837 0.9333658 -2.1915033 2.9783604 -1.8013624 -0.4158399 -2.8289034 -0.02397638 -1.5741688 3.3193588 -0.13746852 -4.9858456 5.8969965 3.1567948 8.649946 6.598264 -1.3830281 -6.546834 -0.17662224 3.5039983 -6.054538 2.0457911 -4.497084 -0.33989108 -1.2484728 -6.407487 0.689094 -5.7819843 -0.35701698 -2.0784109 1.4439086 3.0072262 2.634369 2.2837389 -3.562585 1.5592883 7.541914 12.09263 -4.582765 1.0460577 4.5271835 1.5973456 -0.7481043 -9.218663 -7.808067 -8.171055 6.5882373 6.2825727 -1.8903642 3.296286 -2.196363 7.4711823 -0.8074967 4.5329013 2.9025877 11.033348 -6.3442993 2.1295862 -7.696132 0.27790028 3.9430768 1.257091 5.106057

Mescaline is a phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups. It has a role as a hallucinogen. It is a phenethylamine alkaloid, a member of methoxybenzenes and a primary amino compound.

-3.5359547 0.72605586 0.27491307 -0.52950984 0.95785654 -4.2133765 -4.9682555 -1.347705 -0.712453 1.0026698 5.444491 -6.3527236 -0.075693235 9.357636 3.4224944 0.3956315 2.3381968 0.17298916 -7.9821715 4.9215918 -0.9301536 -1.7701164 0.7809795 -4.2562003 -1.5665804 0.41357577 -2.0511687 6.5248165 -1.2331412 -0.9381455 2.8295584 -1.2116948 2.5689902 3.527147 0.76373786 2.7659435 -1.4015763 2.2344224 0.89080167 -1.3555963 -0.008389562 1.9531053 -2.0450766 -4.4727726 1.8833469 -5.408951 3.4526145 -3.9051032 2.7850094 3.4880853 2.4114032 -2.5084367 2.1670697 2.7340536 0.0013073608 0.95518094 -0.7663158 -2.095004 -2.8498707 -3.2420375 -3.866424 -1.4067656 -1.6111878 4.919401 1.2579668 -3.526312 0.8268166 -0.029450573 1.0497901 2.7016788 1.0891633 0.20542029 -1.6069189 1.7410637 -1.7167289 -1.3405045 -5.0778365 7.414603 4.452231 5.8237724 -2.0473633 -2.8065555 -0.873191 0.85304385 2.1092181 -0.79019517 -2.309685 -2.6147518 8.458319 -1.5159369 -2.9608476 -0.8775836 1.2866518 -0.4254899 2.1250794 1.3228345 1.6897461 0.34946463 0.9668554 0.44553986 0.9888867 -3.724202 -3.1775396 -2.3057458 0.609618 2.7206633 1.6966734 -6.2977576 2.1863365 2.7255871 -2.5902205 -1.6170121 -5.1551385 -0.73490006 4.3672934 -1.9088659 1.8995569 0.18873714 0.90083987 1.7286198 3.9731748 0.64247376 -2.561306 0.6452187 4.0868735 -7.0875106 4.953681 2.99719 -3.436306 2.0033193 3.1436872 0.20338157 -5.091329 2.5774949 6.0065384 2.6706398 -0.4714474 0.6335219 4.247627 4.4584355 -4.20368 -0.59580576 -2.3723109 1.1201069 5.6619782 -6.4540877 -2.3136656 1.714101 -4.4027586 3.1660378 4.537692 -0.57901347 -7.1660547 2.1569486 -2.495993 4.4045057 5.1695757 0.94580746 3.637353 -4.4420996 -5.332017 0.1825258 -2.154814 -2.0077934 6.880155 -2.753215 5.546362 5.0344467 -2.0216625 -0.5178154 2.9933002 2.0392878 2.749599 -1.0724388 2.3571095 -2.205979 4.0942507 3.2411304 -5.0510297 -2.1460688 3.1477711 0.17921835 -3.1934059 -3.2050471 4.7777905 -1.3673656 -3.226978 2.0836618 1.2222714 1.9457873 1.5665021 -0.684929 1.2536166 -1.40845 -2.1362991 0.74285984 0.036218494 -1.659488 1.679124 -0.8471782 0.82403433 -2.100669 2.3985531 1.8155214 0.17970406 -0.38425878 -2.3649042 0.6521839 1.5210986 2.1862023 -2.5990686 2.518178 0.47169822 -1.916606 2.0139852 0.74555033 -1.3441161 3.2267287 0.59886897 -0.60828906 3.244625 -4.422469 -3.0666258 1.4938004 -5.414425 -2.0799425 3.6397054 -1.2781937 -0.7815253 -2.5109138 1.4441118 6.1313562 -1.5454116 -2.8600016 -0.15090817 2.205735 0.32615808 0.2635058 0.033096306 0.16671969 -0.04715684 -1.336664 -0.14305207 -0.381719 1.6890156 -0.97507584 2.5173693 -0.59540147 -1.0341904 0.5520674 -0.73476976 2.236202 4.1023283 -0.053708807 -1.932843 -1.3389895 0.21415521 -4.789136 0.94093573 -2.8447802 -0.92974985 -3.6391969 -2.8872695 2.3047843 -1.2343353 -0.04138811 -1.1134694 0.793963 0.27571723 2.5887501 0.061704755 -2.4497607 1.6660643 3.6494095 6.5066776 -1.4407053 2.426672 2.0211475 2.3257267 -0.36260733 -5.7438517 -4.835169 -6.2744246 3.4001653 6.032706 -2.7468262 4.506132 0.43524033 3.2200184 -1.3776977 1.8613389 0.75912744 5.681296 -2.777841 1.9958364 -2.995545 -1.4347723 -0.7297739 0.7145541 5.586077

8-geranylchrysin is a dihydroxyflavone that is chrysin substituted by a geranyl group at position 8. It is a 7-hydroxyflavonol and a dihydroxyflavone. It derives from a chrysin.

-2.8366036 3.2616403 -3.0792725 -5.9386435 -2.4890075 -7.652776 -7.6127353 4.673984 -2.9448185 4.427312 8.845022 -8.544071 3.1846209 12.322429 8.349669 -4.226402 6.7126393 -0.19603959 -15.37958 0.66294634 -3.342875 -5.6675506 -1.0676113 -8.905442 0.8077394 -2.6409297 -0.061080545 13.20323 -4.6988616 -4.582859 -2.6991706 -1.1455023 4.967586 2.6551044 3.3952801 6.3616776 1.831544 2.863093 1.9125428 -2.2676218 1.3841884 -0.40099508 -0.3986499 -9.327816 -2.2402546 -0.49908996 8.568821 -3.5768836 1.5792044 8.535228 9.061208 -1.7740544 6.1636434 7.9641895 0.12759951 0.2708409 -7.642557 -6.662799 -5.0165296 -3.5929317 0.53846633 -4.4563947 -1.0624522 5.645527 -2.3642387 2.3232424 1.7425455 0.68367916 2.003394 4.6434603 5.331835 0.59506 -6.082085 1.4490378 -3.543312 -2.9329112 -8.108095 10.518136 8.344484 4.3697977 -1.3003676 -3.8415847 0.15162364 1.73824 0.65164506 -1.1701043 1.1966267 -4.34802 10.604856 -3.4800367 -1.904608 -6.1260943 4.0210767 -0.33650818 1.8210003 1.1080922 2.569968 0.636982 -3.845286 -1.0794919 -0.27565467 -6.673834 -9.29742 -3.966291 3.062463 3.5005076 0.1416206 -3.7809951 4.8886404 -0.89285934 -4.859911 -1.4673297 -7.632166 -1.8983729 5.35316 -6.730999 -0.5300591 0.12524177 5.2506886 11.80486 6.5746036 0.957207 -0.16970494 -1.109031 8.17887 -11.78731 6.5816913 8.322865 -4.1188664 4.2289724 5.7793775 0.75361633 -11.420036 3.1949716 13.188817 4.5747476 -3.8900478 -2.9019265 9.713865 11.384803 -6.39908 -2.6845973 -2.5049033 8.859264 12.557274 -14.940512 -1.2722828 0.5536664 -11.708343 0.9282343 6.3831553 -4.597835 -20.005116 5.6074514 -1.9731765 0.7039232 6.727993 5.503137 5.578774 -10.781323 -7.6573386 2.64408 -2.300815 -7.8517613 9.5849695 -2.9916816 10.045793 8.156694 -4.780925 -3.2419758 1.0020462 6.1872745 5.723279 0.22169468 -0.42390648 -3.1612287 9.259917 4.021687 -6.83878 0.024859816 5.999291 -2.0772393 -11.338525 -3.4515722 6.565359 -0.18404765 -8.786721 4.417463 -0.19248462 1.9657683 5.677389 3.5659604 1.9163325 -1.5588253 -5.946942 -0.5513782 6.442883 -1.3976091 -1.4004786 0.38419092 1.2504946 -8.867593 3.0257058 4.5955343 -2.5476272 -0.8900427 1.386136 -4.968839 6.141845 1.6645212 -5.0348897 8.705288 1.1679974 -3.2011452 5.784671 0.59421784 0.42946014 4.405526 1.3411403 -4.320454 1.3953189 -4.4340954 -7.79884 -0.91977775 -11.091107 2.0175807 6.427863 -2.593451 2.1809056 -4.487803 4.230376 9.339281 2.193188 -4.3171306 -2.387707 -0.5952254 -1.55583 -1.7913986 -1.8685985 -5.886826 0.09361873 -4.5987816 -5.853589 -1.7838728 -0.10681324 -0.21066266 4.2525935 -0.32437143 -5.1399183 5.477184 2.497263 6.20183 4.4494333 0.373227 -3.4142058 -2.3912935 5.603409 -8.058189 0.3349435 -8.03128 -0.85703814 -8.486932 -8.012651 4.969582 -8.470732 3.2293172 -0.10259712 2.9682746 2.8533783 5.276887 2.4808478 -4.69496 1.882309 12.946345 8.86195 -0.08796482 4.0558953 6.951521 3.712633 -1.4008851 -13.585313 -2.0685682 -8.155771 5.7184935 7.3409896 -4.8326254 3.2535684 -0.44785064 11.553962 4.7505903 4.214356 2.8424518 8.451118 -0.92295223 2.1842775 -5.5225873 2.8338656 -0.0036263466 2.3205388 4.0796

Alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc-(1->2)-alpha-D-Manp is a branched amino pentasaccharide comprising a linear tetrasaccharide chain of alpha-N-acetylneuramine, beta-D-galactose, N-acetyl-beta-D-glucosamine and alpha-D-mannose residues linked sequentially (2->3), (1->4) and (1->2), to the N-acetyl-beta-D-glucosamine residue of which is also linked (1->3) an alpha-L-fucose residue. It is an amino pentasaccharide and a glucosamine oligosaccharide.

-6.482093 16.459072 7.6102896 -3.7778554 -3.342545 -41.56697 3.9995236 -1.9433696 22.358929 9.430673 1.6867766 -10.380316 -19.36464 12.004053 9.203841 -2.7387402 12.532228 -17.326231 -49.087833 24.528334 -13.264142 -35.10054 -23.897257 -11.2116585 -16.571274 5.888927 7.627776 14.69673 2.970797 -14.683208 6.594099 -7.9711967 3.8889413 19.90701 34.184723 2.5011227 -11.489507 21.97828 2.1028268 1.0689335 -23.047255 10.283656 -0.7703246 0.35862625 -7.649904 -0.5635375 -2.4955413 15.770603 -5.7300134 42.349354 17.239695 -6.1284013 20.84458 5.0608463 29.546234 2.8181179 -6.114985 24.376255 -7.5341434 -5.3616567 11.879809 -16.57493 4.325478 16.565046 -14.519399 -1.0875616 12.9892645 8.279493 -0.90834856 -14.61055 1.3295698 9.934996 -24.553326 7.2298145 -0.38454306 -12.519646 -33.92783 22.60148 1.0591794 7.3249245 -22.089361 -16.080153 -10.537462 7.749487 13.437622 -8.242888 17.82623 6.071777 18.991755 -4.885627 -2.1130574 -1.4735327 -1.468188 9.328748 -4.2653904 -3.727369 17.33086 4.9438367 -2.7066083 -8.841353 21.680414 -3.6363108 -29.048529 -4.131033 18.961544 6.6284437 -6.7799263 4.337686 1.9218595 12.869743 -15.86523 10.13136 5.453876 -3.801113 31.192028 -20.184385 -9.412293 13.025323 21.708918 16.810642 16.307514 8.221337 -23.651855 -7.8737807 15.968208 -37.964256 32.85444 20.326036 -25.628746 17.097626 0.07318115 11.964851 -31.022057 34.74579 45.020695 6.2664757 7.9808936 -6.6198072 37.812508 27.912516 -16.568207 -1.7830163 6.4297767 10.995714 44.15849 -20.266043 -16.15409 33.63668 -24.403095 3.4568794 13.522017 10.693069 -22.885546 9.209094 3.616812 10.475105 39.35218 21.885572 40.51597 -10.539517 -37.934944 0.13112324 -19.019526 -1.5224327 9.7261505 -6.1366706 57.273487 15.166727 -24.937319 0.76518 16.007048 23.641699 18.176447 -5.020138 -8.424346 1.6442211 32.189487 30.616219 -8.598899 -5.689579 -21.381783 1.9904404 -22.600195 4.19393 3.3087814 -5.356268 3.9093218 -13.380084 10.00406 -0.46244654 16.02871 12.657057 7.2141743 10.919868 3.737079 15.153972 8.383473 3.2567778 6.1215568 3.7925422 1.2910149 -0.40044877 12.235156 27.741348 11.783998 -2.254922 -1.3702369 -0.29579878 0.7590116 15.841144 7.4775195 -5.142376 -14.940267 -6.637824 -7.811356 17.18115 -6.07548 -0.98510927 11.808857 -10.476109 -2.9905353 0.31137598 -3.2083993 22.023415 -13.49592 -18.42963 -19.42442 10.6901 5.852879 12.962678 1.4072497 6.447087 3.7950509 1.8931386 -2.0664213 0.8211648 20.02158 -0.4346895 -30.843037 -16.411455 -4.596759 -1.1155238 -2.2249792 -5.238098 18.335617 2.8380206 1.6655277 -13.053808 -7.4438624 -4.1223307 10.799038 7.3663855 -12.963977 13.794277 11.864368 15.077213 2.3786309 -28.177128 -11.607529 8.625142 -14.512538 -14.0032835 4.739054 -2.100317 3.9885235 -7.3363695 15.075641 11.204715 22.882113 -7.2870846 3.5476751 1.5261472 -0.4717223 3.0785253 31.918318 28.677694 -5.331073 -13.6895685 12.877401 13.16101 -1.5290749 -2.9165993 6.0624638 2.2484043 20.81997 -18.053698 -13.320883 -6.0806155 25.444544 5.9537754 13.564577 -16.720789 38.747105 -6.6352544 5.643977 -35.36774 -6.502221 -8.9273815 18.558655 10.111372

2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-) is a flavonoid oxoanion that is the conjugate base of luteolin, arising from selective deprotonation of the 7-hydroxy group. It is a conjugate base of a luteolin.

-2.7086794 2.4408727 -1.5147028 -3.1345248 0.28260982 -8.455202 -6.1760044 3.87959 -0.45350462 1.5629262 7.977579 -9.360633 0.39828178 11.55597 7.512352 -1.1911845 4.992513 -0.0028418452 -11.535935 4.390414 -4.642344 -6.173734 0.94805473 -5.843163 2.7003894 -0.29843035 -1.660171 6.6179914 -3.7817101 -2.8576913 -1.644939 -1.425436 4.8869567 3.5865388 0.03210432 4.533149 0.2523952 1.9729294 1.9625671 -1.2003139 -1.6705717 0.4356786 -1.5666714 -7.1534266 3.0393753 -0.63898855 9.131155 -3.8101306 1.5605153 7.6446137 6.527169 -0.32596835 2.5026605 4.5594172 -1.6629195 1.9258844 -7.4980907 -5.0769863 -3.3256063 -0.42723903 -3.2926908 -3.2554164 -2.489139 -0.8019931 -0.18557629 -0.4893621 1.7143673 3.2584777 -2.130357 4.7727885 4.8699226 -1.7014072 -0.40476188 0.61005634 -3.574542 -4.958663 -7.209635 10.434447 8.433954 7.107743 1.8038206 -5.2884636 0.39061022 -0.20886752 1.2831495 -0.98967767 -0.20463057 -1.4815614 9.4471245 -4.4119563 -1.1798556 -7.2925596 -1.2723467 -1.4880612 1.9393724 0.65437967 1.54314 0.3853046 -5.791508 1.0808293 -0.8403475 -7.804351 -7.6553307 -2.0704727 5.7417297 0.6423343 -0.23457311 -3.6219194 2.8277543 -1.9766545 -5.1649437 -1.2343197 -1.4859031 -0.4104713 8.408842 -4.0171742 0.7973137 -2.9668012 3.452463 7.979883 4.992327 -0.10643506 -5.4953356 -3.8567626 8.037062 -5.7351794 3.9283895 6.591875 -4.518886 0.9993648 2.470741 1.5172586 -7.4301696 -0.7272265 10.759263 6.870935 -2.0521815 -5.2212286 3.894357 7.9068904 -3.028377 -3.0413086 -2.2377086 5.9840164 10.862692 -5.9817047 -1.1056049 0.5840393 -6.0041428 -0.32155055 9.5754 -3.4207568 -14.558668 2.2032125 -4.85911 2.406763 5.94702 1.0607864 -1.5179517 -7.758611 -1.8202366 0.49796468 -1.2103972 -3.292632 11.210225 -3.8428142 10.545013 3.8394034 -2.3597317 -4.722649 -0.3830775 2.4426227 6.684788 -3.2330568 1.743545 -1.0448923 5.031882 0.55993974 -3.069796 3.9557514 4.6079373 -2.9747083 -10.095771 -3.702721 2.6591969 -2.2692182 -6.3884397 4.135238 -0.35175437 1.8745575 5.7652607 -0.98579216 0.1882796 1.6026566 -8.538796 -1.1913056 4.1317844 -2.300571 -2.951762 -2.7031155 1.1443021 -9.258473 1.3869013 3.126939 -1.9700109 -0.4775046 -0.7605745 -2.6040921 5.0839653 2.3309107 -2.37679 6.9655747 0.5570673 0.096357375 4.3182707 1.0195524 -1.0140337 5.4378076 -1.426846 -3.9964523 1.360321 -9.043446 -5.8702817 -3.1710572 -5.786339 -0.9230286 8.517134 -4.310576 2.0827796 -6.7264094 3.698135 9.70771 3.850948 -2.1868637 -4.86598 -1.341235 -2.5573382 1.5259101 0.8656286 -2.7146108 1.204043 -7.229722 -6.5885987 0.05024274 2.3215654 -2.7546008 4.384702 0.07346102 -2.886661 1.7430598 1.6423737 6.292731 3.8832316 1.1066387 -4.2710695 -0.8538875 3.2764902 -5.2778273 1.3656187 -7.951941 1.0934101 -5.539703 -5.1569023 5.442244 -8.793957 -0.06489453 -1.3355145 0.5986997 0.8624736 5.6703997 4.653382 -2.7169409 -0.16256455 12.151416 9.66261 -1.7118055 5.3387694 5.550261 2.119779 -1.1377267 -8.398685 -7.1795163 -4.3208723 6.692081 6.22098 -5.1242743 2.9090488 -0.08762515 7.794084 2.7563002 0.5393845 1.1325955 6.009783 -2.2557518 3.3703613 -3.5709453 2.8607888 -2.4733827 2.403533 3.6846929

3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate is a citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate. It is a conjugate acid of a 2-(carboxymethyl)-2-hydroxysuccinate. It is a tautomer of a 3,4-dicarboxy-3-hydroxybutanoate.

0.2715912 0.43425104 1.0330768 -1.2976336 -3.783001 -5.349638 1.8495096 2.578243 -0.117726564 4.2538767 0.0064382628 -1.7121488 0.39949355 -2.2560115 -0.6483931 -1.6171348 3.8941183 -1.1457561 -3.838583 2.4296591 -3.799813 -3.7421885 -0.44484317 -5.636582 -2.2012043 1.0049504 2.1276708 4.233357 -2.7972035 -3.5247831 -3.2871335 -1.2006111 2.0292401 4.4968023 0.86908674 3.6790977 1.0875194 4.401883 0.31822398 7.090877 -3.3023455 0.25566715 1.0044211 -0.29551667 -3.899094 1.4680332 1.9124783 -0.19793984 -2.48076 1.3262029 2.975441 1.522457 2.8062408 3.2270503 2.9073544 2.7988403 1.1379888 0.09649311 0.08422787 -1.8964055 2.4093566 -4.5975046 1.8703315 2.7657316 -1.740542 0.71479625 2.0917504 1.1218214 1.8437054 -0.505812 2.287069 2.725901 -4.1656265 0.6391164 -1.2626085 -1.6615907 -1.7525293 -0.075600624 1.2384592 0.70636404 -1.4136297 -3.283033 -0.30373928 1.375053 2.5174255 -2.0538075 -0.84937954 5.168276 0.7669295 0.6935264 -1.1782724 1.1510603 0.34448916 2.6451912 -1.5288148 0.87301934 1.076297 -1.1289496 -1.1679672 -0.06312365 2.0020862 0.2009094 -1.6251734 -2.0544682 -2.3418381 -0.4716118 -2.71996 1.7122676 1.2097536 3.268039 -1.3360444 -0.12304796 -3.3696456 -1.8087939 -0.041220322 0.07530677 0.48455998 1.626226 0.7983873 1.7080684 1.6130389 -0.230494 -2.6122043 -2.8746521 -0.9167116 -2.033089 2.972377 3.5749114 -1.3013215 2.8533814 2.563378 -0.58204126 -4.0098276 1.8069115 3.4265816 1.4539424 1.2515877 1.2339938 8.41641 0.30512434 -2.826006 -0.28779748 0.45589936 4.3888435 5.049357 -6.777125 -2.4257555 3.3922915 -1.2192903 1.6034563 0.8355043 -3.111958 -4.120404 0.8133137 -0.5854041 2.2314782 3.7201457 2.8132184 5.1149826 0.35352784 -5.6712894 1.3860126 -1.955718 -2.7730246 -1.558813 -3.5079162 7.2554107 3.6894135 -3.4014919 1.1451491 1.308143 2.5098858 2.9111052 2.228134 0.98778963 -1.3793721 6.56512 5.027272 -2.0340555 -1.7186316 3.897513 -2.5730362 -3.9510117 1.564862 2.0874195 0.74603343 -3.7283115 1.7246069 0.80863 2.0537546 5.892135 3.449223 2.4207523 -0.54602814 -1.0810561 3.6142573 4.453495 0.99796426 0.79339415 -1.0593531 -5.497559 -1.1324416 2.1748726 4.5917034 -2.5105104 -1.7506387 2.8136234 0.67916393 2.2857337 2.683686 1.8430163 1.494395 0.5465229 -1.1169131 4.2802944 -0.39648333 -5.3333735 -1.9506063 4.415414 0.50462574 -0.083744965 1.5910481 -3.525585 3.9287758 -5.788931 -1.9810452 -0.78152627 4.563493 -1.1629273 -0.20289549 2.720591 2.3740819 -2.6321852 -0.53146875 -0.13965988 1.4292531 3.7031837 -0.6969208 -2.7519035 -0.8327039 1.6616954 0.66184807 -2.2293973 0.32719085 1.8523685 -2.7231286 0.49586648 0.6792315 -3.4840894 -0.9790535 5.4113917 2.5001702 -1.5709293 1.8904622 -2.1254206 -0.18047647 3.435863 -2.4656978 -0.656296 -0.51108 0.93639165 -2.4698973 0.26280385 -1.0200722 -0.595296 -0.12786812 2.2143972 -1.8795832 2.7622764 -1.8388973 -1.257162 2.0677643 4.485694 4.500912 3.6222713 0.5411974 -2.6423388 -1.664551 -4.21198 -1.6336565 -4.2289066 0.6525817 -1.3339238 -2.9027038 1.9972363 -3.1707726 0.53450054 -1.3259467 3.040857 0.72768366 7.543616 -2.0100818 4.0936007 -2.8450778 -1.4741542 -5.1187615 0.11617322 2.2577403 6.9175887 2.4617143

5beta-cholestane-3alpha,7alpha,12alpha,24-tetrol is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a 24-hydroxy steroid. It has a role as a bile acid metabolite. It derives from a hydride of a 5beta-cholestane.

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N-acetyl-D-phenylalaninate is an N-acyl-D-alpha-amino acid anion that is the conjugate base of N-acetyl-D-phenylalanine, arising from the deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-acetyl-D-phenylalanine. It is an enantiomer of a N-acetyl-L-phenylalaninate.

-1.2126613 3.058917 0.6297403 -4.3514147 -0.85788935 -6.1977262 -2.5407896 1.8649523 -3.0637703 1.8413069 3.8061 -2.678745 0.46185973 0.5241992 0.7314177 -2.9054382 -0.43488738 -0.49016708 -3.928502 2.1796842 -4.635763 -2.7289176 -2.2814825 -4.134836 -0.45285383 -0.1734782 1.6863804 2.9971516 -1.142942 -4.417663 -1.4371716 -3.3718948 0.9308804 1.0831767 0.36120716 2.7576747 1.6024953 1.5792639 0.8576225 4.0774045 -2.1041694 0.790497 1.5498829 -1.3405488 -3.7465322 -1.1276902 2.4908388 0.024442922 -2.1036959 3.1188369 5.4938807 0.77505594 1.4712515 3.0556512 1.6892908 -1.0120424 0.81428206 -1.4524556 -2.8036854 0.34522974 0.21227045 -0.052146766 1.5233835 1.0366704 -2.557488 3.77865 1.0051339 -0.31801885 0.35533655 0.82217693 0.25991553 3.4120274 -4.1684036 0.038198367 -2.8069954 -0.5543468 -3.0810058 0.69126046 0.6590549 3.5166626 -2.119616 -3.1920938 -0.48111925 1.0051919 0.75749624 -2.028544 1.4185508 0.6017299 2.6320329 0.8558789 -0.44159183 -1.9656982 -0.9577919 2.1313024 -0.9680729 0.63015294 0.68278766 -0.26584503 -4.9705863 -0.5839648 0.3764674 -0.5363949 -3.3025596 -3.269394 0.5915736 -0.9423218 -0.6368453 -2.6414762 0.91830504 2.2327662 -2.334426 -3.7701733 -3.9303281 -0.28850523 3.1815665 -2.5863025 3.3392053 2.071086 1.4867129 3.173928 1.2327981 -0.87945646 -2.6071208 -0.78677297 4.6789775 -4.67489 4.352489 6.28006 0.8224293 0.37300932 5.2484155 1.5074782 -5.7512317 3.7122247 3.5615444 1.1111871 -1.8737266 -3.4804275 4.8285294 1.2100209 -0.8272079 -0.83699036 0.61741894 4.63572 7.462039 -6.110939 0.37331027 1.6367587 -3.506499 0.7845002 3.9599895 -2.473616 -6.655486 0.9674755 -0.3058624 -0.6186126 3.4388847 0.37969327 3.087488 -3.581085 -4.698925 0.36312976 -2.3494048 -4.059492 2.494033 -3.7260957 7.041405 2.451705 -3.6081264 -0.32745123 -0.30952293 1.5867175 3.0010853 0.70148885 1.4703588 -3.651333 6.2174196 3.56489 -5.4166884 -5.392201 5.9695168 -0.14480689 -3.9373267 1.7458433 2.4921846 1.0081575 -4.570794 2.3462555 -0.046119194 1.6923754 5.5834713 1.7114481 0.8161464 -2.9267416 -3.3894434 -0.31695098 2.1850157 1.6632506 0.24366604 -1.0654202 -2.3840322 -4.941533 0.8687341 3.196816 -0.33681887 -0.5624888 2.9285195 0.41876698 3.6554193 2.9436612 -0.5552575 2.241166 0.6409919 0.37310416 2.9552038 1.7645537 -4.6684284 0.28945053 0.8569233 -0.41705924 1.4053513 -1.6980933 -4.344739 -0.0038412586 -5.569291 0.82979447 2.694652 0.22243178 -2.540451 0.5951078 0.1588984 4.329135 -1.6827049 -1.6574395 0.58537006 0.53964686 -0.1035196 -0.6750502 -0.31311756 0.59821117 2.2281601 -0.8251592 -1.5699394 -1.1520137 0.69658977 -2.9675806 0.92548734 0.3091775 -3.7014747 1.8909978 2.6940308 4.3527412 1.2136887 0.9724592 -3.1030204 -0.031223834 4.1736503 -2.7469003 1.2807486 -2.9224477 0.2568305 -2.8170679 -2.315288 0.9452479 -2.6197708 -0.039209023 -0.6648333 2.128126 3.0530152 0.2530869 -0.09449122 -0.31950673 2.746631 6.190941 6.386279 -2.534793 1.87126 2.7366452 -1.5713264 -0.1383408 -4.588407 -2.5075867 -2.7705073 3.4420419 4.1039467 -1.2139881 2.854436 0.0071519017 3.2021832 -0.7188385 6.087499 0.59165734 4.081414 -2.7560525 -0.1302659 -3.6707761 -0.090883784 0.14433408 2.4755054 2.1521485

9-hydroxyellipticine is a organic heterotetracyclic compound that is ellipticine in which the hydrogen at position 9 has been replaced by a hydroxy group. It has a role as an antineoplastic agent. It is an organonitrogen heterocyclic compound and an organic heterotetracyclic compound.

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Neomethymycin is a twelve-membered macrolide antibiotic that is biosynthesised by Streptomyces venezuelae. It has a role as a bacterial metabolite. It is an enone, a macrolide antibiotic and a monosaccharide derivative. It is a conjugate base of a neomethymycin(1+).

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Mithramycin is a carbohydrate-containing antibiotic, an anthracycline antibiotic, an aureolic acid and a secondary alpha-hydroxy ketone. It has a role as an antineoplastic agent, an EC 2.7.7.6 (RNA polymerase) inhibitor and a metabolite.

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D-glycero-D-manno-heptose 1,7-bisphosphate is d-glycero-D-manno-heptose in which the hydrogens of the hydroxy groups at positions 1 and 7 are substituted by dihydrogen phosphate groups. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a D-glycero-D-manno-heptose 1,7-bisphosphate(4-).

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Ethyl-ITP is an organic triphosphate formed by condensation between the gamma-phospho group of inosine 5'-triphosphate and ethanol. It derives from an ethanol and an ITP.

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Betulin di(3-carboxybutanoate) is a pentacyclic triterpenoid that is betulin acylated at positions O-3 and O-28 by 3-carboxybutanoyl groups. It is isolated from Syzygium claviflorum. It has a role as a metabolite. It derives from a betulin.

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DMP-PYT is a member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a 3,5-dimethylphenyl group while the carbon at position 5 is substituted by a (2E)-(3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity. It has a role as an osteogenesis regulator. It is a member of barbiturates and a substituted aniline.

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Alpha-D-Galp-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-D-GalpNAc is an amino tetrasaccharide consisting of alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-beta-D-galactosamine residues connected in sequence by (1->3) linkages. It is an amino tetrasaccharide, a glucosamine oligosaccharide and a galactosamine oligosaccharide.

-5.5824604 11.302859 6.876 -1.4684162 0.9938554 -33.524597 4.14857 -0.7764474 20.022263 8.051879 -0.29984233 -8.55834 -15.70232 9.421261 8.474851 -5.1053867 8.930358 -15.493694 -39.28566 18.95876 -9.641369 -25.689028 -19.353603 -8.825173 -14.230656 3.3553839 5.299989 10.438486 2.443062 -10.458373 4.3680916 -3.6979032 5.274327 15.001356 27.740099 0.7521337 -9.148841 17.307114 4.809037 0.60906565 -18.022678 7.2710185 -3.038358 1.9864674 -5.4703403 0.18139541 -1.5751383 12.802234 -2.2049975 35.624523 12.421993 -5.3747582 17.453064 3.522725 25.89167 -0.2509977 -6.4407077 17.051897 -6.27687 -4.5341997 8.045539 -12.289747 2.5985205 8.941622 -11.062257 0.41410387 8.243873 6.639098 -1.4093616 -12.36365 1.6339557 8.024542 -18.180874 6.772206 -0.50451994 -11.498263 -29.15113 18.289904 -0.9905402 3.7315986 -16.33878 -12.551799 -9.903565 5.168335 9.926214 -4.307495 15.43653 4.7982035 14.097845 -5.2771587 -2.1499417 0.13006659 -0.6393987 7.1121235 -3.4178407 -8.127688 14.911155 5.002613 -0.39479405 -6.181138 16.644958 -1.1919348 -23.697798 -1.2209201 14.852802 6.4369984 -2.9933157 2.658229 3.1660786 9.153074 -12.9439535 10.378623 6.068834 -3.3895628 24.51405 -16.5007 -7.1835456 9.561254 17.036816 14.318566 15.52021 5.8688073 -19.216436 -6.223797 12.008951 -32.33938 27.827345 14.070245 -20.547464 14.13608 0.34318694 8.332393 -21.964573 28.927496 35.41443 7.169257 8.213333 -6.016853 28.0793 23.212618 -13.955193 -0.5395291 6.484226 8.382827 37.60198 -14.115624 -13.037455 27.97268 -21.658731 3.5279896 14.354607 7.09743 -16.834854 7.286539 0.7927723 8.97216 31.403217 17.389204 34.156876 -7.3198395 -31.80801 1.1826895 -15.699883 -1.4741194 10.22977 -4.844692 46.864582 13.3299885 -19.54226 0.124386325 13.283198 19.024502 14.645462 -3.7327785 -5.6909056 0.36957902 23.494818 22.794674 -5.6963124 -4.099269 -17.709305 3.8477545 -16.553732 0.9227355 1.8388081 -5.9885793 4.705221 -13.563894 6.3648815 -1.2320083 11.806095 8.893985 4.429812 11.249692 1.1192049 12.636515 3.489399 1.9937309 3.8572779 4.213916 1.1003786 -3.1070077 9.168274 22.917881 8.574263 -1.8503275 -3.0833635 1.1733558 -0.5667803 13.520245 3.4052482 -4.3624916 -12.322719 -6.4773374 -8.497205 14.45483 -4.5216484 0.054447755 8.693611 -9.870747 -3.6623044 -0.3566899 -2.1811616 16.729517 -7.3579354 -15.829239 -16.130915 6.184942 6.84068 9.225091 -0.3825369 4.2336564 3.7068605 2.3789651 -3.7902424 2.6783547 17.545013 -1.6810175 -23.81697 -10.445312 -4.9160004 -1.5343351 -0.5519298 -4.9801383 13.908827 4.046482 2.8941495 -11.730458 -5.084563 -3.0555186 6.262227 5.832342 -10.82342 9.414154 10.556961 13.557178 0.47016102 -24.60751 -10.691963 6.051754 -11.385061 -11.841109 4.2964373 -2.4810393 3.3238938 -6.974317 11.876936 10.357904 17.883583 -4.3579626 1.9824741 1.0311774 2.6315718 2.345749 25.799122 23.696531 -3.1157014 -11.488999 12.714475 11.489838 -0.07719922 -4.022861 4.489127 0.6425849 17.108912 -15.597914 -9.610059 -5.9867187 20.759493 5.8509398 10.004804 -10.626757 29.53735 -2.9179144 7.5168347 -26.384369 -4.419102 -5.923505 14.763871 6.8863115

Azanigerone A is an azaphilone that is the ester obtained by formal condensation of the carboxy group of 2,4-dimethylhexanoic acid with the tertiary hydroxy group of 7-hydroxy-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-3-carboxylic acid. It has a role as an Aspergillus metabolite. It is an azaphilone, a 2-benzopyran, a carboxylic ester, a beta-diketone, a cyclic ketone, a dioxo monocarboxylic acid and a polyketide.

-1.4587741 5.021934 -4.2779937 -4.525903 -5.199813 -8.936124 -6.864755 1.4556568 0.1346392 3.6167223 3.9538403 -9.583907 1.4922994 7.7411547 2.146915 -3.7287803 2.525845 -1.3765057 -12.433266 4.1123075 -4.8162475 -10.659634 -3.4915671 -4.3596225 -4.5433745 -2.190502 -0.16970053 10.423616 -3.371057 -7.8630924 0.044995025 -5.9706316 -2.0954368 6.4514303 5.6958222 5.8695054 -1.44452 3.9013338 -0.6114994 3.771892 -0.18414824 1.882483 2.748263 -6.243827 -4.194025 -5.0227747 -0.010889322 -0.33323976 -0.35032672 6.0874715 8.787213 -1.348285 2.8172963 4.8024144 0.9355263 -0.05379194 -1.0981762 -2.1370885 -1.2276226 -2.2732918 0.100573584 -7.3985023 -1.9440114 7.4687634 -2.9193 2.985426 6.426753 6.887904 -0.3636351 2.23682 -0.25940493 2.5775802 -7.3152466 -0.9567034 -1.8057344 -2.8177526 -6.3241205 8.878519 4.461835 9.230133 -2.4808714 -0.7022365 1.1151686 6.9758325 1.9691771 -5.090709 1.5821984 -1.5454532 12.321193 -3.6736147 -1.7374896 -0.26075208 0.06747605 0.13377954 -2.718508 5.332968 2.4969087 2.8196206 -5.2695007 -1.1939048 -1.1028744 -5.996139 -7.6117716 -2.9450665 3.3969793 0.097627535 -0.45046097 -4.121405 -3.3593047 3.0550013 -3.8195748 -3.0545466 -6.391218 -2.2492023 4.122302 0.652173 0.67317176 1.7754284 4.366681 6.4165425 3.6401012 -1.1760752 -4.987833 -1.0605623 4.1028166 -8.010578 10.455974 6.110189 -1.1422324 1.3549902 9.331689 1.5914268 -7.42846 2.8969624 8.997367 2.6624835 0.38642216 1.285189 8.087185 6.649004 -2.5109797 -0.6130241 -6.2077756 2.4536412 7.1329613 -9.175749 -3.427218 1.3269908 -3.6076882 -2.7240145 0.30026308 -3.4107041 -13.288083 4.493114 2.0554633 -3.295206 5.80044 4.225891 3.5138023 -4.3021073 -3.447858 3.8479822 -0.8286202 -5.2952995 1.9305646 -3.3638713 9.962347 4.5300527 -8.938205 -3.269455 0.11961547 6.9782624 2.7271879 1.6251491 -2.5265474 -4.312597 6.3197823 6.506882 -4.3359814 -4.25556 2.52018 0.36148027 -9.476267 -2.624884 2.8440645 -0.15424813 -11.049651 6.9609275 2.7819612 4.6727815 5.043907 5.2083464 0.5966031 -2.476158 0.12747212 -3.5833035 8.151272 0.083770305 0.45250922 0.7726177 -3.7366316 -5.36359 -0.18262832 7.7907553 -1.5795174 1.3707359 6.563781 -3.921934 6.9155374 4.103985 0.6161428 2.5738351 1.3439451 -3.2273831 2.479673 0.8707307 -3.9294174 0.11910038 2.24829 -0.8730893 -0.12180587 -2.8409748 -4.416286 2.6013017 -8.792985 -1.3159186 0.9291031 2.4242642 -0.87974757 0.45871615 3.760365 6.778565 1.6344099 -6.8718114 4.7253876 0.7699496 2.421753 -2.0023046 -2.4488547 -5.2963085 -4.4818783 1.1946673 -2.4640486 0.7685909 -0.0022113472 -5.3952274 0.6543633 -0.80577093 -6.252569 -4.2646127 5.0775566 1.7237773 -2.6049345 0.0012037754 -2.0445247 -0.22349116 3.1096148 0.23400772 2.953992 -0.8525098 -0.98265576 -4.245148 -3.9004447 1.3954166 -0.9068897 0.8056559 2.453882 1.6749045 0.9909211 -0.91498107 3.3947015 -3.9848347 -0.7162641 7.6974564 5.4060125 -1.6034713 2.2733402 6.2370954 1.8256531 -3.923303 -9.944985 0.1434743 0.5642624 7.4924903 5.206727 -1.1413031 -2.6453216 1.6232101 3.5475905 1.1206495 4.7756147 3.3623981 7.7673097 -2.220541 -2.6872222 -9.358484 4.2953143 -1.3850776 -0.36431533 7.354404

4'-methyl-2,2'-bipyridine-4-carboxaldehyde is a member of the class of bipyridines that is 2,2'-bipyridine in which the hydrogens situated para to the ring nitrogens have been replaced by methyl and formyl groups. It is a member of bipyridines and an arenecarbaldehyde.

-0.9966606 5.4484653 -2.5930402 -2.625316 0.32880065 -3.4270806 -6.437065 3.6069229 -2.1536484 3.3890598 5.749987 -6.601164 1.9788835 8.707763 3.6883218 -1.9448776 2.253658 0.5610287 -6.96871 2.6763854 -4.279142 -1.3947654 -0.72196424 -4.103238 -2.0782943 -0.37764683 -1.2349172 5.839062 -2.3602881 -3.5080886 0.42106473 0.70575124 2.9528077 2.688235 1.2675698 3.9487607 3.5088265 1.6370975 0.75582254 -0.38011053 -0.8844066 1.0056602 0.38812387 -3.3715262 -1.3557234 -2.1522648 6.7898593 -4.251171 0.5429848 2.3143032 4.6496215 -0.9979539 3.5758507 3.2305503 0.008594856 -0.23609978 -2.9377196 -3.2408936 -2.9122036 0.70362484 -0.67464775 -0.79288757 -0.84234315 1.2363253 -2.4322166 0.3195272 -0.7395724 1.2244372 -0.75856024 0.82360035 1.0006135 1.4435562 -2.503269 -0.9570599 -2.2354362 0.865939 -4.995472 4.5744667 5.7493634 5.9352684 2.569673 -2.0150993 3.133801 0.026403695 -2.2099352 0.47536418 0.045555204 -2.469867 4.1839705 -3.5399597 -4.281993 -5.016441 0.68214726 -0.57900476 0.31113714 0.19570662 0.52311957 0.99369454 -3.714351 0.0074668042 -2.3100011 -5.041376 -3.9294565 -2.313959 1.9967628 0.17079687 0.30001894 -3.2962039 2.0025454 0.66334856 -2.8230038 -2.1139627 -4.027547 -3.6132612 3.6902497 -2.6730964 2.9574196 1.7386589 2.0125272 4.508095 3.3661888 -2.0280778 -3.7141197 -1.3219984 6.707264 -5.29937 7.054806 2.6771052 -0.083314165 0.47085693 3.2589116 0.2741213 -5.2716603 -0.85119104 5.2823806 2.5948732 -1.0638545 -4.640881 2.3022673 5.4297705 -1.5497004 -0.20284386 -1.7059139 3.4673092 4.8859134 -5.931561 -1.7794375 0.8823286 -6.847704 0.7278803 6.568121 -3.2553337 -10.578992 0.8269079 -0.44827136 -1.7546148 1.4543986 0.69610965 1.9373411 -6.1511235 -0.017973527 0.7285237 -3.4549396 -1.3080322 4.686874 -1.5394572 5.457824 2.0893822 0.49902678 -2.108899 -0.84917605 -2.2805712 5.1711173 -1.3703694 1.7316455 -3.029125 1.2817135 -1.0014037 -0.9127775 1.0079588 4.3549805 -0.6380212 -2.5271704 -3.0107627 3.65848 -1.5359697 -5.384926 2.0252259 -1.776168 -0.7954342 8.002275 -1.2897369 -1.0814197 -1.4111446 -2.4247022 -1.9036607 -0.16680615 -2.351068 -0.056445397 -1.2643274 2.191942 -5.6512604 1.3302749 2.5000129 -0.8858034 3.6950111 -0.83940816 -1.9948018 6.8783994 2.5315661 -0.1434427 6.463063 4.071938 3.0436664 3.0201888 1.966823 0.28593612 2.1192205 -1.4431707 -2.5035474 1.6778436 -8.936385 -6.069081 -2.2749803 -3.9754055 1.2884506 5.9656363 -4.334855 2.0104074 -3.6848667 -0.6537363 7.1804924 3.2489343 -4.2739625 -0.32677838 1.0317552 -1.0614258 -0.0995714 2.3093488 0.025216326 0.11660732 -4.952234 -3.1572506 -0.026385993 0.4937838 -1.1482514 3.020464 1.5135933 -3.6137323 0.20511791 1.8806763 3.7858539 4.1916323 -1.3460906 -2.7784436 0.44462964 3.4882715 -2.9882143 -0.31706467 -5.3851233 -0.4055873 -2.5785663 -5.1187615 3.2676997 -6.4487014 1.322963 -1.5045074 0.44702274 0.108950436 4.1361027 0.47806522 -0.8026235 2.6496782 5.4990697 7.0042715 -4.3272667 4.2005157 4.5144434 0.053688772 -0.1800935 -5.4219465 -4.3366117 -2.4357486 5.196727 3.1127307 -2.989011 2.5176613 -1.3341749 2.6416636 -1.507969 0.8371098 1.9154049 3.262975 -2.6161783 1.415363 -2.3139153 0.65055573 2.2000222 -0.5389338 1.6093347

Carvone is a p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. It has a role as an allergen. It is a member of carvones and a botanical anti-fungal agent.

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Ganoderone C is a tetracyclic triterpenoid that is 5alpha-lanosta-8-ene with an epoxy group across positions 24 and 25, a hydroxy group at position 26 and oxo groups at positions 3 and 7. Isolated from the fruiting bodies of Ganoderma pfeifferi, it exhibits antiviral activity against influenza A virus. It has a role as a metabolite and an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor. It is a diketone, a primary alcohol, a tetracyclic triterpenoid and an epoxide. It derives from a hydride of a lanostane.

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6,8-dimethyl-6,7-didehydroergolin-6-ium is a cationic ergot alkaloid that is the 6,8-dimethyl-6,7-didehydro derivative of ergoline. It is an ergot alkaloid and an organic cation. It derives from a hydride of an ergoline.

-0.06025514 4.716126 -3.0847056 0.6591999 0.02520378 -3.4849136 -3.8978143 0.87391764 -1.159709 2.1280491 2.1595364 -1.7110728 1.1733881 8.464637 4.666548 -0.45724112 3.8313847 0.8411141 -6.630704 5.683239 -4.1287565 -2.6293142 -2.9982278 -2.8505096 -2.392878 1.2134091 -1.5590793 6.697962 -0.6953858 -4.026781 -1.1410776 -0.54043573 2.7614012 2.5767312 4.498069 0.06996389 1.7160549 1.8747127 -1.1684846 -1.5472819 -2.0950532 1.71571 3.104349 -2.1854825 0.18643716 -3.4852386 5.465271 -3.0304563 -0.48573604 2.2773466 4.280964 -2.680503 3.8476393 0.36648947 0.85042477 0.45405596 -3.5926557 -2.5215871 -3.397007 0.19016409 -0.51234686 0.53412503 -2.0952113 3.3254902 -2.3335378 1.2020924 -2.6966937 1.9574001 -0.62700814 -1.107449 -1.388799 4.3887334 -2.5375297 -1.3824549 -0.2161422 -1.419006 -6.54002 4.769533 3.9826643 6.631306 0.790143 0.02941985 1.5715628 3.4694917 -1.8142754 -2.0026655 2.6323996 -5.257586 6.1967697 -3.091316 -1.0948418 -2.6869545 -1.1569769 0.30184257 -0.5760807 1.5743842 -0.61030275 0.309812 -4.574988 -1.97548 -0.581744 -5.206689 -4.734005 -0.7307396 6.1703844 1.0495789 0.5754253 -5.2799997 -1.6651673 3.8142614 -1.3533795 -2.4024162 -0.9580115 -2.0521002 5.697291 -4.4477005 3.973672 0.950946 3.3883226 5.4135623 1.732799 -0.29421112 -3.4990106 0.48525137 6.774054 -7.728308 6.424684 3.1527162 -1.0191704 3.5077808 5.143551 -0.6233382 -7.3637953 2.7784357 7.424307 3.2241526 0.41772047 -3.99711 1.9106922 7.6749573 -3.0192719 1.2080464 1.3656821 3.0188787 6.1839366 -2.4867423 -2.9817624 1.8846976 -5.3647914 2.993586 4.414618 -1.8273838 -9.481902 0.4837535 -1.3108116 -1.5521144 4.506724 -0.10173547 1.3603956 -6.8064966 -2.2565866 1.8178307 -3.1756535 -1.7791458 0.9829546 -4.0395203 7.215503 3.6240385 -2.9726474 -1.5945885 -1.7811091 0.12687902 2.6766775 -0.13707644 1.4867681 -2.184568 0.12364435 2.1425285 -1.7038635 0.95497334 4.9004965 0.21173352 -3.5812178 -2.3352063 3.1392078 -3.2036948 -6.130087 2.0726333 -1.3622892 0.40738118 6.9459476 0.92411506 0.118707046 -0.7226629 -2.0863729 0.38515222 3.1259751 -1.1858358 1.0247113 0.9707564 4.775626 -7.129501 3.7196214 1.9595485 1.4726952 2.071593 -0.27743745 -2.1358047 2.8210573 3.0401382 -0.5163528 5.52268 0.8246815 -1.0783309 4.7628336 2.6208735 -0.81282693 2.3723648 -2.4831939 -2.036163 3.2816508 -7.35225 -2.1469693 -2.6720006 -4.6775684 -2.1791627 0.4429342 -3.5191965 2.9678898 -1.5080795 2.4533393 4.369092 4.1735945 -0.47274655 -1.234256 -0.3628437 -0.7949512 1.4896492 -0.24280046 -1.3717515 -0.22916016 -7.07844 -4.696696 0.66290903 -1.5428592 -2.0657878 3.5249074 0.72334385 -1.9868315 -1.3066999 0.97312266 4.857344 3.0993004 1.3258454 -1.2478656 1.6246297 3.7223604 -6.1637454 -0.0336971 -3.120328 -2.8734722 0.21576907 -6.3371787 0.43444014 -6.8962755 -1.635726 0.21160316 -0.3470494 2.2204216 2.2227771 0.13819557 -1.491582 0.052311867 7.118129 5.9994516 -4.7797284 3.9416988 3.128536 -0.6289297 -3.2046862 -4.792348 -5.8713546 -4.0131736 5.0478673 2.9687507 -6.6401067 -1.4654524 -0.28620204 4.967406 0.90461797 -0.54176754 -0.036150552 6.4899807 -1.6003175 1.3979855 -2.962064 1.372039 -1.0214254 1.1271676 2.8278353

(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-cinnamoyloxylathyra-6,12-diene-3,15-diol-14-one is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It is a cinnamate ester, a lathyrane diterpenoid and a tertiary alpha-hydroxy ketone.

1.8260825 8.236912 -3.5617435 -4.784361 -5.239688 -9.835797 -9.239155 1.1767838 2.242318 9.13635 8.883592 -6.6141 -0.10718697 15.028694 6.3331594 -1.1157284 11.571799 -3.082998 -16.32122 7.801512 -3.5262518 -13.984331 -6.7463903 -2.867447 -6.171531 0.028543323 2.2179613 14.275266 -0.7083019 -10.061048 0.42457807 -2.929236 -0.87208605 6.4641476 11.058694 2.0398166 1.2818967 7.3417673 -5.3817105 -0.61494756 -6.1545067 7.220375 10.889471 -6.678765 -1.4996636 -5.559702 2.9935803 -2.0932994 -1.4595685 8.207717 11.109205 -6.2275953 5.57077 -0.59315276 3.3278599 4.2606893 -6.246618 3.0531983 -3.500682 0.85603076 5.5120645 -2.259694 -4.6567063 10.756007 -5.3681784 0.8852208 2.177344 6.269856 0.5038055 -4.0895033 -1.7596173 4.1459603 -10.10772 -0.45979446 1.1388731 -4.709813 -8.452398 11.454454 7.112865 11.591049 -2.1327124 -2.190495 2.3442981 6.8941417 -0.8910881 -5.3105154 2.948553 -6.7673817 12.594979 -5.446684 -0.18497661 -2.330605 0.130157 2.561633 -2.906492 3.0802207 2.8551803 3.7896786 -9.309793 -3.2813518 2.5795057 -10.981711 -10.197563 0.029260471 8.04276 4.2638245 -1.3448305 -11.0299015 -1.297294 3.8143773 -6.15545 1.0441551 -2.2938607 -5.017431 11.366295 -6.798171 3.1917534 2.9798691 4.6353073 9.242264 4.3580894 -0.2772945 -3.9281135 -2.678119 10.775986 -16.382288 11.489257 4.5448856 -4.3751545 7.655262 6.3579082 1.6982646 -13.309353 4.5561056 14.364538 6.3448195 2.0107172 -2.9413466 8.780326 13.195326 -3.9135728 0.66046816 -3.0571609 2.0904415 10.720745 -11.368448 -6.41022 5.4807253 -9.447276 -0.24862051 3.1431994 -4.7991014 -15.85926 4.3730836 2.5248528 -1.2260066 6.98263 3.953518 6.833141 -9.624075 -6.842886 2.8740723 -4.282444 -3.4089499 -0.44992745 -0.4398873 14.732161 7.2172503 -11.087348 -5.2950225 2.6208425 8.066951 5.070138 2.5365305 -1.8292493 -4.4375496 4.098008 6.8659244 -3.585108 1.9672667 0.67161906 2.727369 -11.694949 -3.7939975 2.403676 -3.8509684 -11.783564 3.8061912 -0.23722494 -0.026379533 9.504708 3.7548354 1.7364826 -2.1765416 2.3911555 -0.24677707 9.160187 -2.2459698 2.012156 4.3897643 2.17506 -6.919257 4.080062 9.760486 2.780457 1.5997481 4.682379 -4.324735 8.447852 6.287025 1.3053071 4.6154065 -1.366279 -5.719389 2.3016727 2.3665786 -0.9338545 1.4491037 0.41221046 -3.499983 3.0272665 -6.4209614 -7.241774 1.121409 -5.965066 -5.7007685 -0.2939124 0.6651126 3.4396095 1.530513 4.8763013 8.975783 5.907278 -4.8829393 -2.0859969 0.17087828 0.62614226 -1.8631243 -5.0159082 -8.86194 -4.5489516 -2.1019437 -5.2517114 1.4406625 -2.5052822 -2.9289722 -0.85550666 2.3466492 -5.1477785 -4.9153256 2.2931623 6.843957 -2.2605882 2.1400158 -0.3209052 4.6679883 5.603349 -5.1684494 1.9976809 -1.2935522 -7.3170214 -2.0178251 -8.826958 -1.7466348 -8.197001 -1.9278991 2.9794548 0.9607433 1.5395907 -0.40085018 2.2533162 -4.916341 -2.0595324 10.206397 6.3322625 -3.7826602 1.4906129 7.433379 1.6221335 -2.8340209 -13.698138 -4.3811107 -3.2865343 7.088433 2.3737388 -6.9124885 -4.0032682 -0.19749358 8.148873 5.5407805 0.7296193 -1.4380758 13.989863 0.84394 -2.4382944 -12.895961 4.7421927 -1.6351454 1.1516927 8.346369

Sapintoxin D is a phorbol ester consisting of phorbol that is acylated at positions 12 and 13 by 2-(methylamino)benzoyl and acetyl groups respectively. It has a role as a metabolite and a fluorescent probe. It is a phorbol ester and a tertiary alpha-hydroxy ketone.

1.405999 9.197972 -2.4673195 -6.8719134 -6.1074514 -8.959951 -8.855465 1.3008757 3.8488488 7.5098042 8.440869 -4.6237926 0.0348168 12.904878 5.015358 -3.3785074 12.908552 -1.9105506 -18.589102 6.7571335 -1.228444 -17.09571 -7.621499 -1.81028 -5.170314 -2.7371683 0.47931904 12.813116 -1.60352 -11.929326 1.551861 -5.304193 -2.0854154 7.0967627 9.993315 4.351043 -0.032422394 11.4813795 -4.2125387 -0.008363128 -6.627353 7.7628207 10.036126 -10.266541 -1.2977455 -4.9742455 2.2454777 -0.90083456 -2.287856 8.626962 12.852863 -7.437832 6.5660357 1.9051353 3.7108114 5.6499686 -6.04482 2.399181 -5.5463843 0.39129555 6.916165 -4.4712653 -3.6033444 14.401747 -6.0018125 1.9048861 4.235261 6.9899793 -0.61136013 -0.9420154 -4.129027 3.8872461 -11.932218 0.78979635 0.9138794 -1.8691245 -8.468248 11.892296 7.7058005 14.587114 -2.944448 -1.7826074 1.4917188 9.814942 -1.2203193 -7.4618044 5.1115775 -5.18461 15.438567 -4.4465275 -0.8910625 -0.43650833 -2.695789 3.4366376 -3.616958 5.3274016 4.4198756 6.110435 -8.157824 -2.8584957 2.788933 -11.436609 -11.649356 -1.069552 8.0592985 2.6562388 -0.37390965 -13.656979 -3.0105164 5.4884553 -5.9126563 0.95027816 -2.350998 -4.748908 13.694191 -5.8969746 3.3754792 2.0067158 3.4791949 10.180718 3.145513 0.010924565 -5.6259904 -1.618088 10.754036 -16.572237 13.46782 4.5960016 -0.8096073 9.119782 6.6089287 2.596118 -14.448431 7.478519 16.26617 7.647809 0.93415666 -2.0741112 13.497096 15.109795 -4.9562383 -2.030416 -6.2866087 -0.42613456 9.755288 -13.701252 -7.7288084 6.1404214 -9.452083 -0.6856023 3.3137581 -2.532297 -17.697948 4.92297 3.1587002 -0.904909 8.671557 4.10119 7.2465544 -9.490002 -7.550367 2.3034546 -6.206826 -3.9726062 -0.40869117 -0.7545936 18.066576 7.4707837 -15.109628 -4.887817 4.577056 9.189897 6.157823 1.7492884 -3.2714434 -4.819704 5.6350236 9.419084 -4.911267 -0.13427195 -0.1440982 0.9916101 -12.900258 -2.0604668 2.34194 -4.0142694 -14.084015 8.735689 -0.6110717 0.91875273 10.192731 3.8634284 -0.38022256 -2.1403923 3.3505368 -3.5650084 10.28603 -1.1628392 1.3791203 4.591014 -0.60469955 -7.4697146 2.885112 12.4582405 2.1921349 2.7030618 7.8279114 -0.16447067 9.942045 9.544082 0.36439312 3.842418 -1.8843387 -7.5234203 2.6592941 1.6519742 -3.4617138 2.9653034 3.3114252 -0.6055552 1.623924 -6.6562357 -6.733224 1.6487381 -7.0121865 -6.0027037 1.9287158 1.2045286 4.7132344 0.88803566 4.208841 9.166923 2.696453 -5.218219 -0.8104421 2.0773625 0.43694556 -1.7437384 -5.259373 -7.5425463 -3.3819244 0.43780148 -6.474962 2.2310796 -2.6442046 -6.940513 -0.021863535 3.769898 -5.339637 -4.9558425 2.7552423 4.713227 -1.9276878 0.62936574 -1.3694143 3.3567438 3.6691864 -4.9444213 5.163204 -0.43289897 -7.0726624 -2.614969 -7.005955 -1.8388994 -6.690502 -3.184471 1.2373701 1.5215983 2.6560547 -1.6498866 4.953861 -5.107198 -0.97689784 13.703183 8.298934 -4.700118 1.2742577 7.706369 0.05889418 -1.4769213 -14.432678 -7.1199303 -4.2007794 7.832648 4.167683 -7.514223 -3.808547 0.6923128 8.96246 3.8925197 4.9968805 -2.2540658 17.921572 1.1807847 -3.297585 -16.157171 4.4528723 -2.1886299 2.5886414 11.456542

17alpha-hydroxywithanolide D is a withanolide that is the 17alpha-hydroxy derivative of withanolide D. Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. It has a role as an antineoplastic agent. It is a delta-lactone, a 20-hydroxy steroid, a 4-hydroxy steroid, an enone, an ergostanoid, a secondary alcohol, a tertiary alcohol, a withanolide, a 17alpha-hydroxy steroid and an epoxy steroid. It derives from a withanolide D.

5.2863936 6.893529 -4.1615434 -2.0325863 -9.91098 -5.969557 -7.5366173 0.01915884 4.962367 11.569878 7.736625 -5.6089387 -0.38172653 16.444906 4.1700463 -2.73585 15.899259 -2.370608 -17.331133 5.9204736 -5.061558 -15.135219 -9.232201 -0.2658618 -10.303019 1.1934636 1.2680622 18.237507 -0.97675097 -8.728306 1.2254984 0.119370826 1.0938058 9.672358 12.423251 2.0730157 0.8591237 5.618402 -5.4132648 -2.2278457 -4.574927 4.6893153 13.935908 -7.3654113 -1.489431 -5.530918 4.1442637 -2.995602 -1.9594301 7.0155005 9.186777 -6.54897 8.796475 0.1369495 3.3422725 10.564502 -1.85832 3.7067516 -1.7154286 -0.47174713 10.891452 -8.463054 -5.377111 13.132892 -4.8538327 -3.561369 5.143955 9.306243 2.309885 -4.1480765 -4.5596323 3.1080465 -8.866724 -0.45076585 6.7035117 -4.1207952 -3.591326 13.063631 6.817608 7.583429 -2.5399766 -2.1848733 3.3341248 9.748791 2.0643625 -8.72744 6.0787582 -5.326043 14.106937 -7.2934313 3.880546 -1.8510427 -1.8516438 1.0563704 -3.719804 7.717453 1.8006469 4.468837 -4.8930073 -3.0601833 0.038855165 -12.742169 -10.887648 -0.05148721 11.036563 5.070086 -4.7030516 -7.418066 -4.3026314 6.9899693 -9.50529 2.4038198 3.1851046 -4.0614395 10.315211 -4.6801367 -1.204501 -2.8224976 5.924663 9.134594 2.6291118 2.2170067 -5.977217 -4.280951 8.212179 -15.484862 12.404276 4.070241 -5.2163615 13.044299 4.1566186 2.6168466 -12.273022 2.8983102 14.735379 3.8069854 7.1513643 5.455315 9.708538 12.289662 -6.1175375 -2.0657163 -1.85464 5.5190206 5.8172092 -8.206442 -8.929886 6.702352 -7.102125 -1.56551 -1.0309242 -4.775607 -14.453978 4.6586676 2.937636 -2.6712124 7.9718404 6.016976 5.0267944 -7.0786457 -5.9346313 3.086659 -8.358163 -5.5675364 -8.652904 -1.2963295 15.4570875 6.647377 -10.202051 -5.075912 0.8187303 7.145061 3.328532 -0.038200594 -2.6054428 -3.6867027 3.1566608 10.413883 -0.54943466 7.1444817 -2.8241212 4.263109 -11.779843 -1.4800644 3.6634297 -0.52267396 -7.305652 4.791681 3.5454824 1.6943545 6.7858787 6.7746663 3.7923782 -4.8848586 4.804535 2.252599 9.825141 -2.545915 3.2913265 5.60434 2.1782174 -3.450364 4.2001123 10.861036 3.4809427 6.279848 4.530251 -5.921628 4.65883 6.0204086 3.0964556 2.3976371 -4.261665 -7.885228 2.9826772 2.1564004 0.6579339 -0.15073848 0.3050815 1.6828201 5.4269114 -11.694086 -4.2891946 1.8209256 -3.322353 -9.902973 -0.86667114 -0.023586709 3.0438964 3.1829455 3.162028 4.3098226 8.225559 -1.9949216 0.8851783 1.3108442 4.100389 1.772859 -2.8845708 -12.142324 -4.748083 -3.350295 -9.735514 2.0710545 -4.724944 -4.004275 -0.20914009 3.3555007 -6.1584606 -8.918033 4.4975276 4.661878 -1.9700724 4.992583 0.656053 7.713673 5.739296 -3.9124537 0.43588498 0.8702744 -7.7641487 1.4632115 -5.2759614 1.9383053 -7.4899306 -5.3320794 2.564588 -4.6529474 3.2814183 0.45677093 0.038339853 -1.8428311 -4.7641244 8.189775 10.084784 -2.9903183 -0.9502462 4.0337844 -1.600857 -5.7158637 -13.853492 -4.596041 -2.534084 6.165014 4.107237 -9.389282 -15.357855 0.49641752 13.308564 6.6194053 1.7973208 -2.9721622 19.65114 -0.78716874 -4.4728065 -15.796614 6.033748 -2.1639714 1.7439132 7.482911

Pyronin B is an organic chloride salt having 6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium as the cation. Depending on the mode of manufacture, pyronin B also exists in the form of an FeCl3 complex. It has a role as a histological dye. It is an organic chloride salt and an iminium salt. It contains a pyronin B(1+).

1.0090544 4.8754697 -1.0643128 -3.206848 3.1922364 -4.3862276 -8.728462 3.9889178 -8.137731 6.0973125 10.519608 -10.342005 1.1289396 8.717233 6.665188 -5.9472303 2.5777059 0.10184468 -10.230038 4.4097447 -6.6514087 -3.784716 1.3224144 -5.914435 1.2871487 1.7427847 -4.630719 5.196438 -3.1283474 -9.09576 0.13625015 -2.1486351 -1.0275973 5.032401 1.9274186 4.2341156 -0.9880625 7.517217 2.6821382 0.20871796 -2.4308908 -1.3393306 -1.9169462 -6.8831987 1.5897108 0.63916326 8.654767 -5.2654457 0.4537796 6.105499 8.645774 -0.6940291 5.5152183 5.81746 0.2312411 -0.7059798 -2.588043 -5.8650255 -5.6078453 0.2771554 -0.35821274 -5.5884256 -1.0393358 4.057828 2.2169828 2.8537204 1.6793808 -1.0482011 -1.935054 4.1154747 0.8699564 -6.0124393 -3.1160429 2.4681678 -2.86501 -1.7768812 -2.5259097 8.851152 9.404606 3.765688 2.6511977 -1.8538013 0.69846433 2.475062 2.0048413 -0.62416434 2.3154168 -0.27126738 10.486872 -3.0212471 0.64908 -4.303689 -1.3565456 -2.6378088 1.7693076 1.9275666 2.0189874 0.5812163 0.031731784 3.0133543 -3.9629729 -6.129622 -4.443865 0.46419075 -0.5036104 3.333961 3.013412 -4.0199223 2.1412404 3.3763196 -8.649498 0.34156135 -6.774938 -2.6955023 5.6257024 0.050044954 -0.6989124 2.6521993 1.8945578 8.731694 7.7542214 -1.9429665 -3.455112 -2.7237997 10.285158 -9.536 6.9579325 7.999172 -0.5210284 5.0124903 7.316776 -2.3695168 -8.403101 4.1917567 7.643682 5.9867616 -0.44585356 -5.3961577 3.3092515 5.283713 -5.000997 0.017880678 -2.0502222 1.905351 9.95975 -5.8760943 0.109595336 2.161643 -6.5761175 1.2336662 7.610545 -6.7217402 -13.480679 2.9577348 -5.4581537 -1.9238646 3.1429594 1.435463 3.7172697 -6.493547 -1.1759157 -0.41513544 -6.3160563 -2.9066665 12.26382 -0.47193214 8.955056 7.638037 -4.293053 -0.45493072 4.9520473 4.2584496 4.9798627 1.1273792 2.8344586 -2.0296123 9.385895 2.4357245 -8.189386 -0.5894799 4.9012175 2.1816967 -7.947621 -3.0925417 4.0148807 1.0602279 -9.739931 7.425985 -0.4526626 0.8399853 5.4811983 0.98155224 -2.4150085 1.8092461 -4.0230975 -5.054413 2.860365 1.4883159 -1.0021558 0.6888311 1.7849807 -10.684492 0.22002791 2.9677298 -1.2353864 0.285219 0.124750294 -2.0577989 3.5475786 4.437469 -6.122043 9.216781 6.2428017 0.9345418 5.9750905 2.4838398 -1.3209968 3.3998175 -2.3901536 -4.469725 -0.10676901 -8.955699 -8.232398 -3.8425756 -7.912284 1.2610661 8.566913 -5.0700355 5.2188506 -5.648469 4.4808874 10.004418 3.8762236 -5.66094 -0.7326238 2.3659697 -0.74626786 1.7166264 1.5043478 -1.1083218 1.5618433 -5.2715473 -2.508649 1.2612973 -2.3943014 -3.057888 8.567041 -1.1531382 -7.5397964 3.6285152 1.5900086 5.837102 8.424088 -0.172794 -3.2410524 -1.6616452 4.960117 -1.4114176 -1.0050393 -11.525898 3.2206278 -1.9840202 -6.4197426 3.7302928 -3.7566876 1.5176821 -2.0669997 -0.9681749 4.304477 8.255273 3.337815 -4.674791 3.083246 8.651251 11.313522 -4.6317215 2.4551625 6.394614 5.9496527 -2.1269555 -8.321673 -6.341267 -2.2521074 9.786495 6.9451647 0.64874995 6.7119255 -4.4321566 4.9586606 2.342775 2.6273706 3.936316 7.266369 -4.4552298 6.227401 -5.8145456 1.7838898 1.6641968 0.40823942 3.4921205

Heptadecanal is a long-chain fatty aldehyde that is heptadecane carrying an oxo substituent at position 1. It is found in citrus. It has a role as a plant metabolite and a coral metabolite. It is a long-chain fatty aldehyde, a 2,3-saturated fatty aldehyde and a saturated fatty aldehyde.

1.6999419 2.4456244 0.84880334 -4.647771 1.6168165 -2.705822 -1.8973907 5.0453544 -5.3239613 3.6460476 4.7961283 -6.5593424 1.5285776 -1.9297113 -1.4331496 -3.3680058 -0.7410265 5.0286236 -7.097313 -1.3916461 -3.8127482 -2.3676286 0.35296935 -9.985161 -1.9168999 6.2262774 0.22626108 7.0548043 -4.4215083 -3.870199 0.7751385 -3.827917 -0.6419212 4.524191 5.9701366 5.363195 -3.9905353 11.001727 -1.9531596 5.6494627 -1.2899885 -8.428028 -0.32600695 -1.3759952 -7.531082 0.71519244 -1.5251615 1.9253151 -0.45194635 4.711604 5.2893963 2.826348 5.0286107 3.9290433 2.9667165 -5.962794 0.399557 -1.8303435 0.7177769 -2.1758316 -1.7333252 -8.067915 0.387223 10.009665 5.243033 0.8140127 -1.2517462 -0.8962173 3.0054085 -2.9512959 -0.14907116 -2.3322349 -3.0404325 5.0255346 -1.2644364 0.74697256 0.060316883 4.5072894 1.0728335 0.8941074 -5.5933137 -1.3370281 1.0585954 5.7317753 1.0783179 -0.15737589 2.573606 1.3519114 8.647114 -4.889366 2.330967 6.4113665 5.0994587 -1.4897251 0.47481334 -1.5065845 0.81211203 -0.4238892 4.9575105 5.7672467 4.0842414 4.0276585 -3.7701712 -0.09178346 -7.148438 4.766347 1.8969084 1.5627462 3.523658 6.6232004 -4.2061486 4.814826 -6.81606 -1.6441271 0.46427947 -0.72949 -0.8504636 3.363618 4.766747 7.8621697 9.2682085 3.6347892 -4.682506 -0.7330385 2.8337445 -11.881939 5.1677747 7.66229 0.99581957 4.413409 9.299114 -6.0703845 -2.9742594 2.9530332 4.465441 -2.4067955 4.5340858 2.1792464 9.918248 -0.1788525 -5.4425025 1.2743486 0.34826398 3.9335785 7.778158 -10.903093 -4.238579 8.515484 -6.7192264 0.6455098 2.4196458 -0.40353698 -5.4460053 2.0442655 -4.221423 2.7566473 4.208202 7.247459 11.256883 -0.35017085 -7.432629 2.90286 -4.3555245 -5.7332025 6.435848 1.4601188 3.0730784 7.937451 -3.46278 5.3146663 3.2258127 7.210775 -1.663261 0.7231462 -2.207539 -0.63639754 10.046996 3.0281796 -9.786644 -10.288691 0.88699865 1.2741088 -3.237363 0.85679233 5.7642097 3.3032036 -1.8221602 0.14207363 4.2700744 6.535702 1.3608325 9.993187 -2.4059741 -0.2634042 -0.5457825 1.6893332 0.58606946 5.470069 4.635747 1.8292595 -5.693249 -1.0697734 2.8120139 2.211158 1.3551531 -5.9075456 0.59819293 0.50011444 0.14599419 0.12873799 -3.9680808 -0.1211099 5.153322 -8.226 0.31523407 -2.4203656 -4.8267007 -1.5482353 6.3125653 -3.6042109 -3.3243635 5.1681867 -4.1740904 3.6656003 -13.657284 2.4273806 -4.11116 -0.75104797 -5.5474324 5.8883715 -0.6851207 0.92681956 -4.0643363 -3.0155847 0.41846883 0.3769026 8.379699 -0.5453976 -3.0327268 0.7890196 -1.8391409 -2.796667 3.172632 -1.910069 1.9172562 3.546244 2.0684886 -1.6639006 -3.469619 6.7868767 4.411125 -1.3486269 -0.6393082 2.3952377 1.4367181 -3.0022664 4.767471 -6.1179714 -5.5270553 -3.2059674 1.0249027 -4.2822433 -1.2549347 -4.2472467 3.848924 0.12888739 1.2117168 -5.848523 6.4549036 -1.4283569 -4.6662183 -3.9961097 0.3970031 1.7004942 -0.7322645 8.373952 -2.8668346 -2.801604 6.5483203 -4.030832 -5.2332845 -1.1221689 -3.3006725 -2.012 6.854349 3.3125033 1.4556379 -0.7116375 5.290288 5.749568 5.6945233 1.9777929 4.0620513 0.35847792 2.4637558 -4.4969807 4.6953397 -0.32554698 3.0402799 3.7538605

5-bromo-4-chloro-3-hydroxyindole is a member of the class of hydroxyindoles that is indoxyl carrying additional chloro and bromo substituents at positions 4 and 5 respectively. It has a role as a chromogenic compound. It is a bromoindole, a member of hydroxyindoles, a chloroindole and a heteroaryl hydroxy compound. It derives from an indoxyl.

-3.054617 1.2925917 -2.3924775 -0.2705548 1.7906177 -4.208377 -3.1127102 1.3428528 -0.4521639 -1.3159865 1.5646477 -2.825041 0.86247826 5.6490417 3.555881 1.4973242 3.3365047 1.195652 -7.92928 3.2276773 -3.584081 -1.8027036 1.2160792 -3.4422777 0.5853051 -1.2232187 -1.9028695 5.171617 -0.49038392 -0.56226254 -1.7750629 -1.3151407 4.277258 1.8723058 1.3493218 2.5817482 0.743902 1.0294491 0.3824493 -0.9114147 -0.17853175 -1.7847426 -1.3317101 -4.056252 0.19653624 -1.5314252 5.0886173 -2.2325108 0.7656512 3.2306826 2.7911327 0.011364192 3.3777845 3.3050976 -0.8466772 -0.11401202 -4.2854238 -3.3856368 -3.2015834 -1.2359304 -2.1286075 1.1727206 -0.04248423 -0.17504217 -1.1051278 0.91021806 -0.7805739 0.8379314 -1.2549216 2.9134974 1.3791655 1.6928755 -0.0060037673 -0.5246142 -1.4581432 -1.5321515 -1.7901824 2.6404457 6.501987 4.877096 1.9623137 -1.279257 -0.30532336 0.27104938 -1.4883354 -1.3161385 1.4030772 -0.9526681 4.2240596 -1.4049431 0.1444496 -2.298894 -0.563393 0.007941335 0.07098459 2.3754764 -1.3554523 0.34351468 -3.858735 0.1689151 0.28554103 -2.2447681 -5.1656885 -2.124805 3.6111507 0.25273126 1.2478615 -2.0155425 0.3307342 0.6930321 -1.4972876 -3.417759 -1.6618632 -0.90640956 4.7163973 -3.0756845 2.661145 -0.045679107 2.3242283 3.8961444 1.8979189 -1.786624 -4.965868 -1.025855 4.195397 -3.3035364 2.747674 2.0423172 -1.1441407 2.883367 2.9526975 -2.113643 -6.2795706 1.7196347 5.968879 3.5804744 -0.21314628 -4.6544414 2.7075875 5.55754 -2.351834 -1.310346 -0.030018456 2.9538789 5.9184775 -3.3374965 -1.0240818 2.0262449 -4.9690857 0.7097293 3.7564204 -1.1233566 -9.452437 0.20622489 -0.51893526 -0.062570035 4.734667 -0.9227558 -2.0364494 -3.3922834 0.5347715 0.91345495 -2.1536834 -2.5789323 3.1753156 -3.8958251 5.407681 1.9658276 -0.98359317 -2.2364128 -2.0053315 0.48120764 4.7443795 -3.8429801 3.1868858 -2.3920143 0.53503734 -1.4095999 -1.8976225 0.93643266 4.823988 -0.712863 -2.2096653 -2.4916778 4.1760526 -2.2870507 -4.7070913 2.6261601 -0.7959084 0.21642525 5.820048 -0.42183876 -0.005316466 -0.09347506 -5.679215 0.5956541 2.7146163 -3.318832 -1.4980204 -1.7955525 2.3350027 -7.492005 3.9488628 0.14600557 -0.0075774044 0.22710001 -0.9720998 -1.3381263 2.9901192 1.7630839 -4.1293926 6.1669965 0.68251187 0.044357657 4.6783953 -0.45703977 -1.4068047 1.3042477 -1.9163256 -1.667587 2.2812862 -5.654395 -1.9281565 -0.7415337 -3.4865901 -0.97360474 2.9428456 -5.1476955 3.4786851 -3.7276032 2.4337692 3.4489353 2.3752663 0.7031584 -1.458797 -0.7776928 -0.17872834 0.4576167 0.10689742 1.0277915 1.5219107 -5.4681897 -2.0666778 1.009801 0.5258332 -1.5118362 2.4183352 1.1774771 -1.5341693 2.4561548 0.9787065 3.4782705 2.131107 -0.108623505 -3.8200393 -0.26305914 2.2167227 -6.2147303 2.8777015 -2.5843883 -0.35841998 -0.84803814 -2.8636563 0.86979884 -5.6920114 -0.3604036 0.005065635 0.99451804 1.0547577 1.7743279 3.1926396 -2.5182266 0.06369751 8.357739 6.545108 -3.0062287 3.704674 3.459255 -1.109972 -2.1420739 -5.063431 -5.691277 -5.540361 2.5469468 1.6547436 -4.085656 1.5514722 -1.018647 3.1152682 -1.453965 0.61043966 1.7447873 4.2856197 -3.2761593 2.3191423 -0.64216405 1.9261581 1.160898 2.179142 0.7856086

Mitorubrin is an azaphilone that is 7,8-dihydro-6H-2-benzopyran substituted by a methyl group at position 7, oxo groups at positions 6 and 8, a propenyl group at position 3 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7. It is an azaphilone and a beta-diketone.

-0.3338034 6.469892 -5.181214 -4.799828 -4.3213506 -9.238773 -9.74903 1.3538421 -0.08946006 4.074808 9.719416 -10.124481 4.140087 13.764298 5.8810344 -3.1267114 6.9626985 0.34509835 -16.361729 4.7695155 -1.8786727 -11.761827 -1.8185785 -4.27233 -2.7437057 -2.574571 0.56148744 12.029245 -3.294319 -7.3290586 -1.2986599 -4.3881245 1.3191886 6.548544 4.314781 7.192205 0.9601351 3.396208 1.0567757 0.7483333 0.15425459 2.3961868 3.256264 -9.106554 -0.009051798 -4.2631006 3.249125 -3.6419103 0.9552506 5.346305 9.719621 -1.5197592 2.846457 4.8617644 -1.5251204 1.5411742 -6.118791 -4.1499076 -1.1478945 -1.3877217 -0.36698133 -3.819064 -4.7388515 3.4534848 -1.7002685 0.7219956 4.838559 7.068412 -0.31975973 2.3359241 3.1762192 1.3777612 -5.2978783 -0.52415943 -1.5139201 -4.2875276 -9.512098 12.141642 8.953668 11.182327 0.4164244 -3.726391 1.9473163 6.0886097 0.15888095 -3.8891509 -0.22567782 -3.858988 13.664644 -6.1171656 -2.4048097 -2.8554742 1.3626043 0.07348533 -2.6073925 4.073199 3.3111243 2.8847735 -6.972712 -1.3878978 -0.4299151 -11.075599 -10.350136 -3.2614875 5.9123635 1.451483 0.4839558 -8.134905 0.20465453 0.52217007 -5.1812205 -2.3752062 -5.555758 -3.6050713 6.8860297 -0.9725236 0.23119566 -0.6733729 3.1365297 7.411306 4.090792 -3.0674334 -4.00904 -3.3067703 7.516738 -10.579778 9.271879 5.101101 -2.5596344 3.2067738 5.9062376 0.8890214 -8.189012 -0.65189457 11.401306 4.8007684 0.3668388 -1.1274264 6.312232 11.034566 -1.1599966 -0.8277849 -6.0145864 3.262164 9.332053 -9.498342 -3.9721313 1.2211084 -5.2000556 -3.575481 3.7688296 -3.0767756 -16.647793 4.258398 -0.038424686 -1.2815418 5.1367774 3.5757368 0.7145963 -7.6783648 -2.3417804 4.856384 -0.2969608 -4.026722 6.360378 -2.8317702 10.4408865 5.8842087 -7.38665 -5.4037795 -0.84303737 6.2956715 5.700816 -0.3973981 -0.7094486 -2.9505491 5.5610137 3.2847605 -1.4733686 3.0017145 3.325113 -0.5468143 -12.680651 -6.4098883 2.017365 -2.020735 -13.630368 6.617391 0.20185979 3.1881707 6.1663046 3.0753121 1.3042846 -2.1177769 -2.5627844 -1.9721663 9.107024 -3.3190138 0.017237037 -0.1812793 -1.1206999 -8.169443 -0.67083716 4.8143697 -1.662284 1.5341111 4.0857368 -6.0469155 8.278029 2.8379781 -0.1450665 7.5766325 3.2968879 -2.8955994 4.400757 -0.70525515 -2.3985453 2.0423927 -0.099814 -1.6792326 2.2497628 -5.5863714 -4.8370657 0.5355426 -6.874602 -1.7548057 6.2054043 -2.081233 1.4436822 -4.217452 5.426887 10.177735 5.263309 -6.831966 0.08675337 -0.3653947 -2.1455474 -1.4782442 -0.8488778 -6.61372 -3.2107716 -2.4958284 -5.409188 1.2025676 -1.0602075 -5.13606 1.36035 0.7658674 -4.8788443 -1.3379494 3.4422417 5.231397 -1.665065 -0.48893932 -3.04766 -0.9443654 3.7400098 -0.32277492 3.1303887 -5.561982 -0.55836296 -5.876485 -6.695178 2.838652 -7.0955415 0.45892462 2.4785635 1.6919811 -0.5077878 1.9730821 3.5476635 -3.9661195 -0.86943674 11.2913 4.2741933 -3.336486 3.9893298 9.82523 2.0413198 -3.9119866 -12.271258 -2.6345992 -2.291534 9.183486 4.4727616 -2.3719504 -0.7370832 2.9642434 5.2846875 2.1648972 1.1133604 4.069602 7.0637317 -0.040949587 -0.43212217 -6.4716244 6.083787 -1.5343927 -0.75767565 6.7958446

2'-hydroxydaidzein is a hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 2'. It has a role as an anti-inflammatory agent. It derives from a daidzein. It is a conjugate acid of a 2'-hydroxydaidzein(1-).

-1.5825685 3.0543623 -1.9211867 -3.2663517 1.0595495 -8.00026 -5.55932 3.867471 -1.9523463 1.4469857 6.3102193 -7.4477825 0.9387358 9.230925 6.3062615 -1.3837771 4.860149 1.4450049 -10.374733 3.794784 -4.0950284 -6.2046885 -0.02033411 -6.1659293 2.7459576 -0.6976573 -1.014121 6.6734157 -2.9356332 -2.990323 -1.130065 -0.44580466 3.9431567 2.5733848 0.30417323 3.380502 0.8814847 2.115833 0.32203642 -1.6207387 -1.1170142 1.4752681 0.97615874 -6.925834 2.2502224 -2.516305 7.8569765 -3.437373 0.8771401 6.3901668 5.8597884 0.59602356 2.9373758 4.111138 -2.9781075 1.7803775 -6.434094 -5.513583 -3.1244388 -0.009466033 -3.0509253 -1.5317664 -1.8319762 0.15059179 -1.7513862 0.1357376 0.882669 1.5866668 -2.4707 5.0376606 2.495388 -0.18008325 0.28658277 1.0747925 -2.332722 -4.958655 -6.216035 9.776703 7.871203 7.6349716 1.8827865 -4.5217395 0.29383022 -0.18595499 0.2681215 -0.47119126 0.8473474 -2.4262936 8.776159 -3.8233118 -1.205094 -7.2765183 -1.7592303 0.049946394 1.6459913 0.44783497 0.8752306 0.61320496 -6.0160565 0.40057662 -2.3921723 -7.013604 -7.1345935 -2.3863962 6.577482 1.4229326 -0.20070611 -4.743341 2.4007516 -2.1645432 -4.1147203 -2.658416 -2.672139 -0.43991575 7.701553 -4.985771 2.2903516 -1.8857925 2.2255583 7.699 3.5843265 -0.41027308 -5.521024 -2.3504913 8.521567 -5.9610534 3.9675033 6.128708 -2.4638221 1.6874233 3.356262 1.286709 -6.7014155 -0.36273623 9.676763 5.2498045 -2.1782148 -4.980207 2.0035653 7.2008286 -3.2547565 -1.7152839 -1.6046844 5.5375023 9.687516 -6.319056 -1.0687777 0.13728282 -6.6079054 0.44550222 9.657487 -3.6456227 -13.085847 2.746369 -2.9856322 1.2294616 5.6076818 0.5019326 -0.8487924 -8.513105 -1.1868354 -0.14209893 -2.139473 -3.5244563 8.010354 -2.5948086 10.80952 3.5873795 -2.3150234 -5.2528515 -0.5233747 0.96444476 6.5985956 -2.1319554 1.8125075 -2.2812004 3.8718505 0.03946138 -4.333926 3.7279942 5.693686 -2.197626 -8.909827 -3.1414144 3.363894 -1.2564576 -5.6641746 3.146217 -1.7289857 1.0491052 6.1861854 -2.0915654 0.45418888 0.5873269 -7.3516774 -2.3525813 5.102214 -1.799958 -2.7347147 -2.0974329 1.2411833 -9.900334 2.1689963 3.2921045 -0.8030672 0.2796741 -0.8752334 -2.3300264 5.633084 1.6128333 -1.0866058 6.9747176 0.94664085 0.18987107 4.6783085 1.2975023 -1.2674567 3.4388044 -1.8655905 -4.0851235 1.5812117 -8.668984 -5.913371 -3.60886 -5.771426 -0.48468345 7.863207 -2.895078 1.6759013 -5.102042 3.1399455 8.833932 3.6820104 -2.340918 -4.5677257 -0.60137 -2.9593587 2.0340686 1.586545 -3.3256783 0.75010675 -6.12986 -5.6885333 0.65528566 1.5646269 -2.9704385 3.3061295 -0.039282292 -3.6401381 1.8128828 2.2164102 6.160605 2.539957 -0.22095123 -3.9250295 -0.9476184 2.79177 -5.1582417 0.90788823 -7.117327 -0.52257824 -5.1045995 -5.386491 5.662187 -7.80149 -0.78971356 -1.3797443 0.9783113 0.25478375 5.423222 3.0891194 -1.9530194 -0.48946822 10.027848 9.989473 -2.4653728 3.9791708 5.034609 1.3257219 -0.5460675 -8.077058 -7.3778443 -4.1512723 7.2480793 4.733723 -5.0411916 3.1627855 -0.19610658 7.7375145 2.025381 0.6516298 1.4119676 6.87589 -1.6415255 1.841931 -5.070918 3.438642 -2.3772979 1.763061 4.224688

3,4-dicarboxy-3-hydroxybutanoate is a citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate. It is a conjugate acid of a 3-carboxy-3-hydroxypentanedioate and a 2-(carboxymethyl)-2-hydroxysuccinate. It is a tautomer of a 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate.

0.3558755 0.26525533 1.1131269 -0.97878665 -3.8851187 -5.3322134 1.6415997 2.3277998 -0.1695766 4.2768054 -0.3122582 -1.4287143 0.35882905 -2.4637709 -0.97126734 -1.4028696 4.157696 -1.1568171 -3.9018524 2.2355824 -3.9517486 -3.8061805 -0.51810384 -5.925912 -1.9852214 1.2762413 2.2692966 4.1596837 -2.568917 -3.559132 -3.3929918 -1.3339742 2.1412704 4.812683 0.9031311 3.4281492 1.2657229 4.3053255 0.23667283 7.1728764 -3.2166462 -0.1432862 1.0814002 -0.29453632 -3.85552 1.3866819 1.8130367 -0.4875118 -2.5650673 1.3944306 2.9357738 1.5789818 2.7678113 3.1067004 3.1165812 3.438131 1.2276795 0.10535906 0.055317312 -1.9002949 2.4508276 -4.632827 1.781622 2.8345366 -1.6217638 0.56297827 2.2021332 0.91199094 2.0186167 -0.14288566 2.2379487 2.8962395 -4.273627 0.41863334 -1.5961813 -1.4258004 -1.5866094 -0.053215064 1.2137638 0.936406 -1.3406239 -3.2764256 -0.37202084 1.229091 2.5606492 -1.9724437 -0.845111 5.3439436 0.5320832 0.8462797 -1.2776277 0.9702376 0.13967358 2.7045863 -1.8019185 0.81873184 1.1505547 -1.0038687 -1.0733627 0.11165385 2.2331483 0.35160482 -1.6618737 -1.9551126 -2.2818542 -0.48974448 -2.6241486 1.8188707 1.4451745 3.2832975 -1.2417148 -0.19804725 -3.7931523 -1.8977176 -0.026136935 -0.13058124 0.7078357 1.4764688 0.88159484 1.7956654 1.69425 -0.31987 -2.4124417 -2.9431174 -1.3406057 -1.6903245 2.987523 3.659508 -1.4678003 3.1014564 2.4383593 -0.7434373 -4.0278215 1.8188143 3.70817 1.4338865 1.181689 1.0467633 8.529558 0.16703951 -3.069621 -0.16998369 0.49071512 4.5048103 5.139376 -6.8252077 -2.2375176 3.1857371 -1.2592716 1.7936136 0.7920829 -3.109414 -4.119789 0.981054 -0.6473726 2.309104 4.1061363 2.6621063 4.903871 0.30242088 -5.6098704 1.5993298 -1.8439435 -2.8977602 -1.6680008 -3.4092603 7.145299 3.8319352 -3.2401075 1.0433211 1.2532363 2.5490975 2.9652038 2.1843758 1.0478945 -1.6001526 6.629125 5.1793103 -2.2770002 -1.7995403 4.065469 -2.5289838 -4.023853 1.4143167 2.2696857 0.75565684 -3.4581718 1.8783114 0.7693551 1.9569871 5.6473727 3.4791884 2.4583344 -0.5077454 -1.2100322 3.6119778 4.285289 1.0838957 0.60986394 -1.1905609 -5.53906 -1.2685144 2.3486881 4.488581 -2.5852015 -1.7974526 2.6647284 0.65272164 2.114191 2.5800054 1.8311357 1.2231466 0.54105526 -1.0060399 4.1945825 -0.0784711 -5.274555 -2.10328 4.285064 0.6638712 -0.085615106 1.1504347 -3.237541 3.8385172 -5.867149 -2.4890938 -0.741678 4.4806 -1.1417805 -0.28280056 2.712908 2.4689467 -2.745639 -0.43795118 0.095259905 1.6165351 3.5748935 -0.79444426 -2.7162986 -0.7499207 1.6702038 0.8785082 -2.150468 0.25269845 1.8273273 -2.7006352 0.10892868 0.5645797 -3.4319546 -1.062732 5.5180235 2.8431444 -1.3851458 2.1504333 -2.2207105 -0.12390179 3.31144 -2.3999033 -0.39048877 -0.5288899 0.8846042 -2.3777032 0.44043452 -1.0655878 -0.38922352 0.011717856 2.3369 -1.7971264 2.5864153 -1.7122068 -1.57131 2.1382182 4.416607 4.4343004 3.5862424 0.33629274 -2.705237 -1.5543541 -4.30596 -1.4750919 -4.217315 0.60421985 -1.5288446 -2.946548 2.0804398 -3.1875174 0.9129969 -1.3858577 2.9094775 0.6028529 7.620596 -1.9984179 4.0053024 -2.6846144 -1.8132823 -5.12901 0.1353852 2.3886492 6.85676 2.4469004

Alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-D-Glcp is a linear amino tetrasaccharide consisting of alpha-fucosyl, beta-galactosyl, beta-glucosaminyl, beta-galactosyl and glucose units connected via sequential (1->2)-, (1->3)-, (1->4)- and (1->4)-linkages. It is an amino pentasaccharide and a glucosamine oligosaccharide.

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Sulfamethazine is a sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antiinfective agent, a carcinogenic agent, a ligand, an antibacterial drug, an antimicrobial agent, an EC 2.5.1.15 (dihydropteroate synthase) inhibitor, an environmental contaminant, a xenobiotic and a drug allergen. It is a member of pyrimidines, a sulfonamide and a sulfonamide antibiotic. It derives from a sulfanilamide.

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1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside is a disaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis. It has a role as an antineoplastic agent and a plant metabolite. It is a dihydroxyanthraquinone, a disaccharide derivative and an acetate ester. It derives from a 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone.

-2.8462446 9.863404 -0.8679303 -3.2379394 -1.747144 -21.201216 -2.3685396 1.8786086 10.491673 2.4381673 5.388108 -10.592365 -6.074199 17.087704 8.759353 -2.9143426 9.807603 -3.6770453 -29.807129 10.777164 -5.844835 -17.21447 -5.897879 -8.627954 -6.4257116 0.4480994 -0.054078292 13.450479 -0.9962263 -8.681102 1.0789535 -1.1188867 5.109563 10.261212 15.076475 4.3186054 -4.050607 9.309928 2.6481016 -2.2419753 -8.2162895 5.1858406 -2.0947943 -9.42742 -0.27893505 -3.4319696 5.948558 0.8663388 2.367785 20.447615 11.6987505 -3.214238 9.429932 6.107406 10.431776 2.5906527 -8.367164 1.3993803 -5.255198 -1.0807835 -0.80876684 -5.637575 -3.4325914 5.801329 -7.7356143 0.09405278 4.834773 7.3833475 -3.078336 -0.11721058 4.1699996 3.4787467 -9.053269 3.6200197 -1.4582294 -9.64412 -20.674927 18.54669 9.447735 12.160305 -7.620955 -9.590904 -3.2118473 4.4484053 4.042065 -2.4576738 5.962539 -2.3842537 14.225756 -8.04182 -3.8418672 -5.701547 -2.1036143 2.5840225 -0.7626937 -1.5363739 9.807721 3.0260417 -2.4308333 -2.7313204 5.776414 -9.542465 -17.348818 -2.228097 12.855336 4.0181327 -1.2091033 -4.678101 2.1493251 2.6539302 -8.961079 1.8559188 -0.08466664 -2.7777545 17.629074 -9.766749 -1.1006129 2.3348079 10.923967 11.75114 11.240713 1.7272134 -12.807165 -5.7795863 12.025193 -22.33687 19.117212 10.023408 -12.0911045 8.683785 3.3849864 2.769556 -17.620564 11.157551 27.193192 9.735651 3.2595303 -4.7229037 14.605942 20.367254 -10.339592 -2.7810543 -3.1419244 6.4682264 24.084538 -11.849049 -9.361183 11.827212 -15.252296 2.452337 15.340853 -0.3152979 -22.560476 5.8989005 -2.1483881 5.6300035 19.357273 7.946981 12.680598 -12.191804 -15.852004 3.2855752 -9.129152 -2.7215755 10.35053 -5.378346 30.512072 11.313684 -10.770059 -4.8101864 6.394312 10.4010315 10.700822 -2.7456758 -1.5790768 -1.522866 12.711516 10.518612 -5.0696616 3.0465353 -4.1129255 -0.04492843 -16.033848 -4.0790095 2.689738 -5.5472174 -5.532603 0.15240304 0.8517184 -0.68924475 8.51363 5.599689 4.2576666 4.6647997 -4.8339543 1.6109405 5.264424 -2.7699578 0.36534753 0.8847954 1.4214144 -9.462544 6.2083406 13.725497 3.5553896 1.4106927 -3.462919 -2.7395878 5.1756124 7.1348467 1.1794801 5.883315 -4.8123503 -1.9879243 0.030086607 6.775004 -0.5952674 4.0320415 3.9170246 -6.4051614 -0.5302114 -8.377243 -5.1008344 5.685543 -9.063657 -8.5926895 -0.07567154 -1.5620303 6.2359138 -3.334269 5.0359235 11.589992 5.6706758 -2.8497367 -4.5107055 1.2916732 7.2795553 -0.63595283 -8.058714 -7.9277263 -3.723238 -7.6831207 -6.930583 -0.51275456 7.1124086 -2.26698 6.262083 -5.603927 -4.081903 -2.660554 4.981956 7.9887323 -1.6848179 3.697196 2.4058278 5.9253073 2.8544438 -15.082716 -2.6322505 -2.4155726 -5.8935294 -9.728534 -4.3932433 2.8023973 -4.8034034 -1.5786785 5.798268 4.8245983 6.4055433 2.5250714 3.2368891 -2.127856 2.1173382 11.612007 19.454891 7.690863 2.702703 -1.2992194 6.810973 2.404928 -9.62091 -10.213536 -4.1916366 7.3151393 12.501454 -11.277352 -1.8762352 -4.896076 16.593935 4.0488048 2.986299 -2.5620036 20.327171 -4.31952 4.8925414 -16.875011 1.7819875 -4.685602 6.5448546 8.253661

DTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose is a dTDP-sugar having 3,4-didehydro-2,6-dideoxy-alpha-D-glucose as the sugar component. It has a role as a bacterial metabolite. It derives from a dTDP-D-glucose. It is a conjugate acid of a dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose(2-).

5.261627 13.3550005 -3.9480608 0.8339429 -1.0409963 -13.59323 1.1368717 8.392051 11.589778 3.555538 5.4845243 -7.388349 -2.9301314 16.351116 0.955414 -2.102484 8.491579 0.2478408 -23.037472 11.84205 -7.71191 -12.8126955 -11.331212 -2.8099637 -8.915266 -0.86312234 -0.9294847 11.96112 -2.0405743 -8.002532 0.43266827 0.363083 4.3401327 9.208069 14.326902 2.6095665 1.5810535 7.5592084 -5.224935 -4.784525 -4.695855 7.2983513 0.47973257 -7.144922 -7.260019 -0.38785073 4.1766644 -0.24560308 1.8988684 4.7095075 10.890375 -6.1990557 5.826322 5.9993 7.8653455 -3.171416 -3.8884113 -3.311321 -8.99122 -2.921462 1.7855544 -0.9774342 2.2539444 9.417819 -5.458712 -0.07938693 2.787679 7.7486286 4.735409 -1.7029126 1.890969 4.330954 -11.445118 3.765649 1.5954524 -2.729268 -14.00729 10.653354 6.4973483 6.817901 -5.754553 -8.066327 2.039808 4.1397834 -2.6120853 -2.8612666 9.54142 1.1200113 10.003307 -9.735955 -3.2190588 0.81309044 2.343616 1.4478028 -7.42799 2.8524036 8.469954 -1.3482995 4.055709 -2.417242 3.790714 -2.2946634 -13.660947 -1.9214836 7.8121886 0.63505256 1.5690275 -5.492855 0.2538161 10.188403 -9.506818 -2.227858 -0.57179976 -1.4047556 12.670622 -4.0106187 0.057884254 -1.6990047 9.165565 6.197265 8.816707 0.67505205 -17.092417 -3.40312 8.693565 -15.259013 17.26003 6.4460845 -3.5182385 11.317835 6.487012 2.4552598 -15.690916 11.963237 22.065674 2.0115778 12.893281 3.072398 10.870432 17.19635 0.33482945 -3.76365 -2.5516512 7.01689 17.036034 -4.780883 -4.7354765 16.910864 -11.978635 0.5101033 9.731092 2.9641197 -21.059101 -0.7801646 -3.278567 2.3981538 15.296516 9.730731 8.264743 -7.9608107 -9.496664 1.1182144 -18.839962 -1.5334048 3.0014722 -8.743243 21.207258 7.763684 -11.217616 -5.3550897 5.318719 7.3338685 9.311827 -4.8849206 -2.4563675 -4.248215 13.314188 7.5873046 4.952342 7.0870166 -3.732252 1.1506034 -6.303323 -1.1748041 5.3220005 -4.550398 -0.07744932 -1.7161062 1.2490637 -4.0353575 6.222192 6.7230353 3.1778965 -1.1081245 -3.5407717 6.106707 2.4183795 -4.5882688 -5.257317 2.1944911 -3.5603085 -7.9745507 6.2240167 10.678206 7.824253 5.8236895 0.3391251 -5.2718234 4.877751 7.97742 5.3174295 2.1490862 -3.5593848 3.397535 -1.7217723 5.0849338 1.6407244 4.524783 2.0303943 -3.6417623 -4.7085037 -9.713047 -3.555595 3.8135746 -6.7264786 -9.908298 -4.303784 -3.4420652 1.9309266 -5.0803595 2.1600964 6.16016 2.2569542 1.3395241 -5.3933964 -0.92177165 8.15945 -1.8403935 -4.2362633 -6.082767 0.25832105 -7.2142158 -6.243928 -1.8653322 6.0521016 -2.6216323 2.9922283 -2.4526255 -0.5255499 -3.606677 6.0108194 5.572492 0.7327935 2.2347834 0.22216634 6.8448787 1.3653808 -13.333336 -2.6562955 0.7989247 -4.5820546 -3.4314299 -5.0736995 0.85218906 -1.8194411 -3.3631063 3.3488555 -0.44927874 2.124356 -0.43357247 4.025829 1.7182268 3.7725434 -3.8139203 12.094075 4.852488 2.2378452 -7.2090755 0.5174012 1.1187968 -1.9626707 -8.402858 -5.9424644 3.7380302 4.7694163 -11.975729 -3.616681 -4.0176864 9.170335 0.5026086 -1.4430847 -7.4178953 15.08178 -5.130257 -0.03091371 -10.279786 -3.4297583 0.2164352 1.430697 7.1136975

Tabernaemontanine is a monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several species of Tabernaemontana. It has a role as a plant metabolite, an antineoplastic agent and an apoptosis inducer. It is a monoterpenoid indole alkaloid, a tertiary amino compound, a methyl ester, an organic heterotetracyclic compound and an alkaloid ester.

1.3659004 6.024445 -2.9987442 -0.46629012 -2.5378096 -7.593714 -7.142294 -0.8690961 -0.9003347 2.6584227 3.3960154 -4.3005605 -0.2563234 10.899742 0.7917169 0.011775225 8.632555 1.6750867 -8.102087 7.646534 -4.533984 -2.300183 -2.703976 -5.710164 -2.8227 -1.629225 -0.32119665 10.04084 -1.8610084 -2.9027758 -0.36027193 -1.9967673 2.812117 6.1431327 5.286397 0.96817255 0.33676475 4.1252995 -3.1129193 -1.3160511 -1.1583279 3.5817003 2.998231 -3.1089902 -0.2746652 -4.644136 4.7079363 -3.2157886 2.462183 3.532392 5.6288857 -4.2100716 3.389155 2.8529897 -1.7734601 0.051054973 -1.6248745 -3.9767163 -6.2988605 -0.7913606 -1.5227773 -0.108583786 -3.9009879 7.7420588 -1.4599628 -1.4094087 -1.6885875 4.094659 0.46851593 0.5406416 -1.0855886 4.4825525 -2.9185622 -1.7924068 2.0641723 -4.31923 -7.1079307 9.708605 6.3432283 8.061167 -0.7659879 -3.5957499 -0.59476906 5.5180073 -0.87430656 -4.229845 1.2578949 -4.5145855 9.560295 -6.3434687 -0.1386646 -1.3865429 0.33143705 2.3248718 -3.0959463 5.235737 -3.1214786 0.034684427 -2.3544612 -1.702937 -0.66676277 -7.3513746 -8.726165 -2.0571969 6.4293756 3.224193 0.28035796 -7.115206 -4.2837176 5.5098085 -1.927054 -4.5662303 -2.9923859 -1.6626704 10.130301 -6.931424 3.171782 2.6311626 4.860919 5.1099067 2.6983776 0.43471363 -5.7414246 -1.3623018 9.945321 -10.226572 10.370838 3.9837804 -0.9464953 6.4210315 7.4965405 -0.53971124 -11.022292 5.6819277 12.107817 3.6261594 2.8068876 0.30556256 3.3523781 10.408107 -3.732736 -1.5197148 -1.1780518 4.81791 7.7927837 -2.7272515 -3.217077 4.859958 -5.49735 3.6966188 4.5198627 -1.3108222 -13.484648 1.5885426 -1.0841119 -2.5960262 5.9156165 1.2849925 3.934694 -8.168463 -8.432505 1.5601664 -6.6147323 -4.5934534 -0.5440178 -6.206484 11.178238 6.3758583 -6.1645393 -2.5809042 -2.181274 2.8855188 5.730896 0.42943314 1.4132174 -2.7981608 2.4658172 6.0405173 -3.0883772 2.2461085 5.919609 1.0668886 -5.568055 -1.3094867 6.2720113 -5.230419 -5.7684326 2.8070745 0.42940044 2.4661374 6.3997374 1.7742411 1.5320182 -2.7981846 -4.04478 1.279742 6.019529 -1.1748859 -0.20253634 2.3217092 4.0799336 -7.166151 3.5889125 4.014955 3.5863416 4.780212 2.1594937 -0.6815307 3.2611427 4.071586 0.18400201 3.6745718 1.1343907 -1.1057234 5.2358055 3.6908782 -0.30393836 -1.7235293 -3.8316116 -1.4714038 3.357298 -7.788976 -3.3765616 -1.6594276 -7.734389 -2.5741487 1.38826 -3.6000085 -0.73858386 -2.0880892 3.5419068 3.4255362 2.8337917 -1.0437248 -0.62845707 2.0303063 0.714787 1.1156704 -0.97125006 -1.450851 0.29025638 -7.32778 -5.121887 0.11278707 -1.9857812 -3.7536557 3.3681834 2.3075523 -2.5338683 -0.8371793 4.7838507 3.8426151 1.2607589 -0.49745226 -1.6672717 1.7179067 5.2293677 -7.2034974 0.6671302 -2.9159076 -2.150479 -2.1323366 -8.197376 -0.078723125 -8.370167 -0.89529115 -1.5448282 -0.8043163 4.013311 2.6621675 2.0619164 -4.759775 0.70758235 9.2360115 8.410382 -3.7225428 1.7348437 0.8018744 -2.5281458 -5.1604214 -12.13479 -5.409964 -6.7439866 5.255175 2.5955822 -5.575345 0.48988807 -1.3598804 7.7405305 0.2797651 2.181554 -1.0652776 12.474065 -4.252786 0.3410136 -7.061021 2.0391145 -2.2576585 2.2838216 6.3481913

1-amino-1-cyclohexanecarboxylic acid is an alpha-amino acid that is cyclohexanecarboxylic acid substituted by an amino group at position 1. It derives from a cyclohexanecarboxylic acid.

2.9655316 2.485224 -1.0870317 -0.38649008 -2.7401524 0.081763566 -1.235139 0.29549187 -1.3035324 2.4928427 2.403019 -2.4458666 -0.20868719 1.4267567 -0.4403462 0.5305062 3.8941424 -0.39905345 -1.6656317 2.3630857 -1.2849783 -1.3384831 -4.077657 0.07722216 -2.472766 0.9060548 0.28116763 3.6315584 0.030832797 -2.285507 1.1091448 0.26685402 0.19037019 3.089249 4.3900695 -1.2435669 -0.27860957 0.7792579 0.57104224 0.32875496 -3.6542432 1.8475065 5.466346 -0.60179865 -1.1844833 0.6968662 0.50143635 -0.5232474 -3.6438458 0.67800266 2.7094948 -0.9844046 -1.0508726 0.32646394 0.014761172 3.5821412 0.15067108 2.820696 -0.85442716 -0.3433932 3.1637948 -2.7469873 -0.85786515 4.2283654 -1.3787727 0.96152866 0.4187076 1.426758 1.1967165 -1.0038289 -0.31275368 0.97550106 -1.8052394 -1.6895728 1.0726609 -1.359716 0.6922206 4.814792 1.2073784 2.6253903 -3.072524 -2.3654697 -0.79667217 3.8055446 2.4261303 -2.9427717 -0.16747451 -1.550777 5.080973 -1.2016145 1.1326504 -1.0524712 -2.322116 2.5347202 -1.2349516 3.4513092 -0.9813479 -1.6265466 -2.9473689 -0.2809286 1.243248 -3.5250192 -2.7461662 -0.28777212 1.5175931 1.1755997 -2.519282 -2.1496253 -2.0015905 2.6763957 -1.1592616 1.3419498 1.3482538 0.59671265 3.754299 -1.741469 0.8048819 -0.631629 1.972636 3.0364785 -1.0860915 1.553719 -2.7031271 -1.28558 2.1050465 -2.2015224 2.9854624 1.2583791 0.20632657 2.3930478 0.36664256 1.9694569 -5.8590145 2.8546643 4.2065797 0.95894 1.593528 0.4874583 4.249089 1.8905845 0.06103347 0.09020663 1.2198113 2.51545 0.85350484 -2.241665 -3.8776343 4.087734 0.5311925 1.4339998 -2.161713 0.8210238 -1.7111486 0.6046478 0.96910244 0.07804245 2.5356941 1.3211579 1.9395534 -1.157243 -1.6440653 -0.8502021 -3.4866407 -0.71463525 -3.4070215 -2.7337003 5.2187896 2.3077815 -1.3988008 -1.2377136 -1.3353353 0.5254721 1.6238835 -0.58008754 -0.59253037 0.016414369 -0.16676575 2.147785 -2.089755 0.24216856 -0.48048833 -0.50849354 -3.6526146 1.5352087 2.2958012 0.58670163 -0.067548454 -0.042068504 -0.6892523 0.322682 3.5280702 2.5280247 3.4231155 -2.1942306 -1.1667142 1.4774107 2.9085927 -0.8006701 1.2310432 0.7567798 0.68827784 0.81406593 1.6497202 3.3977523 1.6139654 1.23464 2.0590296 -0.05145897 -0.025935382 3.5542207 1.1340566 -1.0078597 -1.5044059 -1.0506709 3.5396647 -0.40082145 -0.6694226 -3.0850017 1.0936654 2.7371647 2.7089794 -1.5929067 -2.1362507 -0.9656909 -1.4072158 -2.3937697 -1.8783659 0.17502117 -0.73712265 2.452611 -1.999909 -0.13993031 0.84085685 0.48748815 0.4474334 2.6349385 0.4075473 0.49149594 -1.0212129 -3.510447 -1.3940122 -1.6024923 -3.4313517 1.1795762 -3.291467 -1.635465 1.0035982 1.443799 -2.307672 -1.167015 2.4764233 0.62555015 1.383829 1.457551 0.04146672 3.1528604 1.0996565 -2.771971 0.52786726 -2.05471 -3.682327 0.9627203 -1.8258113 0.38659322 -1.9383565 -2.1862774 0.74623114 -1.075392 3.2797542 0.8767852 -0.37130708 1.2803793 -0.863379 3.3627934 2.598296 -1.8404915 -2.3339677 -1.0300245 -2.1481292 -2.293413 -3.060706 -2.5839696 -1.3248316 -0.24451485 0.55486417 -3.495901 -2.371495 -1.043705 1.8862114 1.2136842 2.0842128 -1.7506943 2.4763362 1.1867429 -0.77017415 -3.8384457 0.40169576 -1.6280857 0.05866602 2.6379325

(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid It has a role as a mouse metabolite. It is a long-chain fatty acyl-CoA, an unsaturated fatty acyl-CoA and a (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl derivative. It derives from a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4-).

9.057583 26.935356 5.478944 -10.025037 5.2660346 -27.465809 -8.495535 14.752217 -3.7332478 19.796577 26.74383 -17.890802 3.906759 10.844505 8.048151 -10.243637 13.250688 5.2469053 -42.00135 15.934421 -17.921705 -17.006096 -17.366278 -22.515991 -20.520113 11.032467 5.673462 27.30032 -10.933023 -18.142696 0.057952978 -4.5681233 -0.26472527 18.286804 31.416887 14.00408 4.6022677 25.638062 0.50203985 7.080867 -8.850706 -8.212617 -7.2853537 -9.109758 -25.619339 3.198018 7.5228767 1.5949186 -5.0255365 12.8406725 26.910751 5.2072883 18.780758 16.128138 19.499504 -10.374821 0.4928491 0.45385695 -7.431016 -17.055641 5.1549196 -20.217161 9.797737 27.32978 -2.2887154 0.1615116 7.2205153 1.2419479 9.750286 -6.5005913 4.9224753 4.824422 -23.755781 10.068899 -1.0028582 7.1451907 -19.98064 17.467236 10.030392 8.2152405 -11.026092 -7.389294 2.5207758 19.571304 3.4775703 -3.0191379 10.184403 5.0877547 24.936052 -18.822699 -2.3279066 0.5750302 15.697735 0.2934336 -8.446937 -1.9870976 13.185935 -1.4891053 7.761702 6.597469 13.325768 9.9084835 -16.27891 -2.4659863 -7.9080505 3.4586928 1.2304894 1.0562023 12.167679 27.636759 -21.508648 -3.0897322 -21.889818 -7.733315 11.72523 -0.037697196 -11.313511 9.489277 19.056364 21.170979 29.897783 -1.0550221 -19.2489 0.8369014 20.399868 -38.558308 35.831654 26.625343 -9.502211 30.969625 21.330465 -6.6511497 -21.013733 20.891256 33.81994 -4.244782 10.895505 -0.17371723 35.354946 21.06928 -3.4801588 -5.2368965 8.181494 19.6968 33.71334 -35.408443 -10.294315 34.43756 -30.88741 2.6354373 14.514212 -1.8436842 -32.312565 6.2127085 -9.865437 7.232252 17.985178 27.56356 36.042152 -15.336806 -23.086851 6.85435 -22.597961 -13.296537 17.597897 -9.07207 30.259186 21.017977 -17.80575 2.7421954 6.4892945 17.289484 11.565737 -2.7532692 1.8089051 -3.2134285 33.81772 10.439703 -7.9962487 -6.806741 1.281106 0.29158488 -9.653036 -2.2118144 22.342062 3.588771 -4.9566207 -6.791156 6.5392694 3.9357452 16.116657 20.316614 4.693923 -6.742407 -1.3972714 13.629336 8.648215 0.02734819 3.0409665 1.0122052 -6.651207 -8.108505 14.053856 14.079303 6.7472296 -1.1516507 2.7096803 -9.09884 14.238648 9.680763 0.36618477 7.866045 7.702016 -5.531646 5.174432 7.982211 -2.8168402 1.2376376 17.455055 -5.908375 -7.705927 1.0350627 -13.517601 11.00204 -30.370436 -4.4398994 -13.953882 -0.9881774 -2.1529531 2.5804503 5.2578974 13.418111 -6.9924784 -10.04289 1.6857816 2.3197517 26.590393 -6.8294578 -11.307459 -11.54414 3.0199947 -0.9006844 0.2567585 -6.878042 10.630315 2.9661496 -1.2008994 -8.219582 -7.3261633 11.686323 22.116537 9.357371 4.232353 2.473297 2.3724363 2.525554 13.458275 -22.260712 -14.264625 -8.226156 1.4605403 -12.947585 -8.9073925 -6.252453 8.321192 -1.8905017 15.720217 -1.2321415 16.628023 -8.36116 -5.0678487 4.0783443 11.64323 -0.61923265 18.436113 18.346012 -3.964059 -10.304843 8.056632 -2.5758152 -4.9252405 0.6316899 -11.753155 3.2748892 18.482422 -1.2957934 1.441511 -12.032652 15.09082 2.434708 16.872725 -2.9292376 18.986204 -6.324351 7.2251177 -16.62088 0.13023317 9.528714 6.1127176 7.8472385

Bhas#30 is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#30 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an ascr#30 and a (3R,16R)-3,16-dihydroxymargaric acid. It is a conjugate acid of a bhas#30(1-).

0.9908073 4.455254 0.47463256 -6.427596 0.31702182 -10.187374 -0.868446 4.7248883 -0.40833497 3.3274891 2.4574683 -9.247452 -3.8403296 1.9104303 -0.3921441 -1.3194271 0.5064478 0.23604336 -16.065628 4.6504793 -8.314617 -9.86609 -3.159226 -11.573535 -5.5471363 5.8786073 1.2183781 10.7824335 -3.3901887 -5.8070784 2.2668242 -4.2960773 -0.73679817 8.157341 11.921157 5.2707186 -5.762161 13.176887 -3.9284735 5.232308 -6.58381 -4.173267 -0.66700697 -1.4156513 -8.838241 -1.3737036 -1.5747585 3.572843 0.47691876 12.121904 7.1268744 0.7322557 7.0288224 2.9676492 7.7665796 -4.424359 1.5615438 3.4100194 -0.4261714 -3.0127487 -0.48063898 -10.930165 3.1333392 13.122043 1.1786257 -0.40064493 2.2266464 1.6420934 2.3486578 -4.7573967 -0.13335946 2.4429939 -8.466235 6.756006 -1.8627715 -1.8435196 -6.48504 8.776108 1.8258383 4.480291 -10.971947 -3.5662768 -0.656748 6.566133 4.4394107 -4.8935313 4.9210577 2.7549336 12.810412 -5.017318 -0.11325796 3.6332405 3.3953378 0.12646568 -0.64499456 -0.24244606 1.2265466 -0.38154095 3.1774275 2.8991773 7.1912713 2.0100515 -7.6117473 -3.1734688 -1.7293231 5.2238398 -3.0254169 1.5553429 0.63269645 8.861625 -7.152377 3.1799607 -4.946503 -0.97290933 5.833145 -5.2076983 -1.4351091 5.764724 7.2641687 8.799603 9.831704 4.352188 -9.132797 -1.6666679 3.0342844 -16.247873 11.308729 11.143949 -6.6151304 4.583081 8.970892 -3.5912683 -9.362356 7.91626 11.304459 -1.7161195 3.9450035 2.7422626 15.564734 3.3589787 -8.409537 0.032361537 -0.4481563 5.750223 14.097598 -13.163169 -6.556646 12.926897 -9.978631 2.0608144 4.8210616 0.74876034 -9.787 3.946159 -3.5648837 4.1392064 11.299616 11.039646 15.526774 -2.9015675 -13.608275 1.5496563 -6.6879497 -6.370782 4.1596107 -0.8221115 14.109018 9.98241 -6.623267 4.3903165 4.344559 10.6967945 1.2232792 0.52812946 -3.048189 -1.5040069 14.569082 8.613566 -10.8090925 -11.196554 -0.48773372 0.47198772 -7.967246 2.0071526 6.7294717 3.199393 -2.4654775 -1.816166 5.6030283 7.767634 5.84935 12.316435 -1.3600315 -0.7473115 -0.048978347 3.4524486 1.982557 5.577171 5.2369075 2.198513 -4.8096232 0.5851889 4.951635 7.6621346 3.724494 -5.691176 0.34827504 -0.789444 0.82210517 3.1490486 0.115077384 -1.8357699 -1.0707529 -7.4932356 -1.7334547 1.9772631 -5.1456943 -1.8045739 6.765158 -4.8013525 -3.3477232 3.7524867 -3.5924215 6.74022 -15.467071 -1.3169193 -7.9751253 3.1169505 -4.329897 7.2301607 1.5246787 2.5602446 -3.6451187 -2.9251115 0.82079536 -0.0029479023 12.202979 0.7238585 -7.330335 -2.5039072 -2.7657816 -1.9371694 1.473633 -1.5112284 6.9228487 3.039999 0.6222825 -3.464819 -5.1348963 1.5815802 7.5661077 0.90195626 -3.289917 4.393201 1.792201 0.32579222 6.466799 -9.552837 -5.7693534 0.51052797 -2.151604 -5.5775857 -0.03432041 -2.5846143 4.5010996 0.2439751 3.644116 -4.954379 8.503242 -2.8493617 -3.3522317 -3.1847553 0.8136881 1.0264775 7.4395995 10.776166 -3.23139 -6.1531777 4.549561 -2.4169114 -5.274122 -2.241726 0.32090735 -0.4505179 8.061416 -1.5553157 -2.5439658 -1.9633063 8.679708 3.397452 6.416593 -1.8352067 11.392461 -3.9349055 0.6792566 -14.209768 2.5321567 -1.6369224 5.135603 6.040689

5-ureidoimidazole-4-carboxylic acid is an imidazole-4-carboxylic acid compound having a ureido substituent at the 5-position. It is an imidazole-4-carboxylic acid and a member of ureas.

-1.8655031 3.0186594 -2.137945 -2.1845639 0.7098121 -4.413968 -2.3393312 2.900136 -0.49694347 0.64668584 0.96910197 -3.5133686 1.6401693 -0.054315627 0.8645835 -1.7866907 0.8738695 -0.023282304 -6.1040816 3.291208 -2.7280176 -2.5970526 -1.8540815 -3.6993854 -0.8167333 -0.4976679 0.73752487 2.0188055 -2.0979242 -3.3341901 -0.22565 -0.65948004 1.9221872 3.4383018 1.9355987 2.9194555 0.08195478 1.8810577 2.525415 2.12783 -1.4257007 1.4828448 -1.8223766 -1.6346706 -3.1209042 -0.8037118 0.98001003 0.43567598 -1.1249137 2.60726 2.5969515 0.18410334 1.4923087 3.0917647 1.1780193 -1.5082504 0.33200788 -1.5127909 -1.9409173 -2.1296885 -0.22957242 -0.31549925 1.5628659 0.5599689 -3.7485373 2.3594296 0.9640782 2.09188 -0.8736458 1.4520805 2.024717 2.5502796 -4.5786343 -2.1611426 -2.4765942 0.06968096 -3.779918 0.07191855 2.5237594 5.320494 -1.0532956 -2.1930668 -1.018776 3.810984 0.616611 -0.3917683 -0.06420755 0.60974133 1.5574746 -0.770352 -2.85198 -0.18332198 -1.0274055 2.4358706 -0.66867787 0.50205344 0.42454478 -1.6941121 -3.28056 -0.6101566 0.4682389 -1.2954394 -3.4086127 -1.629245 1.89132 -2.2197058 1.0162354 -1.5825533 -0.79190683 2.4034266 -0.96326566 -2.00856 -2.5094786 -0.49120456 2.6707418 -2.5082614 3.1877987 2.349139 1.9978011 3.943751 1.8442956 -1.7219497 -3.535063 -0.7039155 3.1589699 -2.1042478 6.6842976 2.497874 0.12227303 1.6984781 4.503915 0.25426835 -4.759113 3.8751302 4.898735 0.55355036 -1.1508524 -2.4682195 6.272485 5.188865 0.29910418 -2.7431467 0.18831736 3.5681672 4.406074 -4.4184914 -2.2088206 3.0258284 -5.0432396 0.6692522 2.251031 0.73121256 -5.187748 -0.11055413 0.8648368 -1.9013251 4.7606544 0.49082053 2.5395458 -3.5093822 -2.9489179 -0.060504444 -2.766445 -1.7531486 2.4199488 -5.237508 5.2068033 2.1817892 -1.9110972 -1.5573753 -2.1153631 -0.57529104 3.8782587 -1.6225476 2.1680756 -1.2387987 1.9927928 2.3792753 -0.6844032 -1.3422517 3.3727677 -2.4517798 -1.1162726 0.16832322 3.5528066 -0.9552438 -3.2106044 0.9408831 0.07320163 0.3099138 7.276011 1.023024 0.3358807 -1.1852808 -3.589439 0.17986731 1.8420101 -0.65450907 0.6278462 -2.206347 -0.5581108 -3.9720898 1.7282467 2.5922472 -2.1509483 0.9609456 2.4167113 -0.13650228 3.4873044 3.3369694 0.3716144 4.053123 1.5680264 1.1059439 5.0439825 1.5514578 -1.9751006 0.8107818 0.5721816 -0.031391323 0.92291987 -2.090747 -4.4276686 0.78942084 -4.6099086 0.33441007 1.0309092 -2.1654394 -0.6517862 -0.78568864 -2.2961702 3.1731822 -1.9867713 -2.0538878 0.3562189 1.641574 1.7780534 -0.72515404 0.6545164 -0.4969846 2.098742 -1.2579873 -2.7726543 -0.49947807 0.502959 -2.775824 2.0044749 0.37206295 -0.8723445 0.83958745 4.0324054 1.3607633 0.2010119 0.85417235 -2.5544386 1.9463344 3.4275851 -4.9658303 1.6503108 -2.5119753 -1.157316 -3.245127 -1.9717355 1.0247979 -2.4557276 0.58661133 1.4874246 2.9880154 1.5185202 -0.69737333 -0.64552736 1.4986613 2.7122216 4.261414 3.465883 -2.654867 1.6295 1.1045717 -0.8248324 -0.70238644 -2.3631012 -1.4489667 -0.182738 0.7538291 2.1240842 -2.94155 0.63436604 0.016704202 1.2144538 -3.4885669 4.086137 -1.724289 1.6211748 -1.5888238 -0.27800238 -2.807195 1.3155758 0.7799592 1.8281128 2.1412652

N(6)-(dimethylallyl)adenosine 5'-triphosphate is a purine ribonucleoside 5'-diphosphate that is ATP substituted at position N-6 by a dimethylallyl (isopentenyl) group. It is an adenosine 5'-phosphate and a purine ribonucleoside 5'-triphosphate. It derives from an ATP. It is a conjugate acid of a N(6)-(dimethylallyl)adenosine 5'-triphosphate(4-).

2.7247984 15.870908 0.33554572 -2.318143 4.33602 -18.140558 -1.665953 11.464873 9.336312 8.209324 9.342161 -10.926928 -3.7586846 13.077014 6.601679 -4.2975655 5.0266576 -2.3496222 -24.858862 9.545513 -10.785348 -11.408163 -17.357355 -6.1253595 -12.533006 0.78844666 -0.80733263 11.9029875 -1.3312851 -8.046518 1.417573 3.7255414 4.511857 5.640554 16.327301 2.7119467 3.7134707 9.692811 2.9711304 -6.79414 -6.993775 4.5301714 -5.4173965 -6.437001 -11.486876 0.6784595 5.532349 0.45544702 0.87681806 7.6820083 13.846538 -4.999586 9.083476 8.70019 13.537949 -4.5463276 -2.7755854 -2.0332437 -9.000607 -9.32381 3.8650615 -6.310206 7.56324 9.907051 -6.626587 1.6029506 2.4828286 0.12348622 5.1695886 1.4603353 1.9747475 4.4815097 -16.545357 5.9171047 -0.20761934 2.9046588 -14.519811 9.923768 3.3790395 1.8898602 -4.235207 -5.9750543 -0.49013996 4.5161324 -1.2379181 -0.18603566 11.56154 0.6986255 9.478796 -8.129138 -3.9972453 -3.9181805 6.4361987 -1.2052189 -4.45927 -1.0908536 11.715773 -2.267817 4.6884828 -1.8709953 7.521355 3.8325238 -12.742627 -1.7400178 2.3175328 -1.2197442 3.4824395 -0.3184476 5.7187886 12.530463 -11.169862 -1.0230014 -5.263003 -3.023977 12.531078 -5.218219 -2.2319136 2.4005842 12.431009 9.584091 12.628299 0.24895415 -18.72615 2.0067906 8.7923565 -15.131074 21.998066 10.512361 -4.723231 13.228341 5.190488 4.180232 -15.547998 14.538423 23.113518 1.0754957 8.308785 -1.0781031 19.562618 15.349449 -0.70781434 -3.1006122 1.4928265 11.205537 17.398554 -14.806571 -5.126699 18.465733 -19.390707 3.3309648 11.594269 1.3949049 -22.116026 2.748827 -1.6074305 3.7595067 15.817099 15.162739 16.787899 -8.805049 -9.299422 0.718569 -17.93922 -4.9978952 4.362712 -9.205373 23.29744 6.5325994 -8.522794 -3.2845492 6.8424067 6.3749404 11.949781 -6.18392 -1.2418325 -3.87163 13.663856 4.406137 4.433027 2.6172311 -4.3997297 -0.4871312 -4.118961 -3.244816 10.698206 -0.76990694 1.4728885 -4.874694 -1.0645537 -6.1257844 11.532656 6.028239 3.445824 -3.3182771 -3.0811386 5.5329804 1.476752 -5.3690696 -3.3744721 -0.45610908 -2.3911982 -5.687526 9.607618 12.001248 4.4832573 4.5045533 0.14876181 -5.037473 8.601853 10.096791 2.0948176 4.07654 -1.6039113 4.5707426 -1.0508583 8.539549 2.1838384 7.1776147 7.7910576 -2.425841 -3.8485827 -11.206541 -5.888137 5.026885 -7.041549 -7.022834 -3.38259 -1.8400748 3.7458158 -3.4025612 -2.3856263 7.428765 -1.2603612 -1.4967285 -2.4884593 0.2876249 10.15408 -4.051 -4.891171 -6.4103155 1.3741524 -2.8984053 -3.0988166 -4.0110564 8.345258 0.3353337 -0.5677012 -5.859312 -0.83163923 -2.3978143 6.0248594 4.75551 5.8499207 1.1549008 0.75099057 6.887596 -1.2258109 -16.21586 -5.394727 -1.1470847 -6.4052925 -5.8966455 -2.5228555 2.4757948 1.5050607 -1.7453117 4.152697 2.9953582 2.370915 -1.1776488 -0.04428363 4.8577695 8.005334 -4.728609 16.88817 5.6128793 0.85327184 -8.937025 1.5611407 4.4821577 2.0709481 -4.8186474 -5.4902453 -0.7859373 6.1672244 -11.712857 -0.4056626 -6.7770424 6.263467 -3.6132162 6.1761556 -3.593698 9.425473 -5.027165 1.8492272 -9.103667 -4.4304094 4.809387 2.9576604 5.180955

Alanine-d7 is a deuterated compound that is is an isotopologue of alanine in which all seven hydrogen atoms have been replaced by deuterium. It is a deuterated compound and an alanine.

0.8322627 -0.1618501 -1.7053226 4.3572598 -6.9780655 -0.41904062 2.384242 -1.9361327 -2.4846356 10.80678 2.3328514 -2.2661526 5.485889 0.5813974 0.92735285 -0.6980746 4.7446632 -2.5643594 -6.5799446 2.804283 -3.6537342 -1.2303708 -1.5692638 -2.6954896 -7.7125297 2.5417817 -1.8088412 5.857475 -0.71754175 -6.3338284 -5.6075096 3.2941096 0.25407356 8.446808 3.3848748 -1.2265073 2.2574298 3.4221761 2.4675941 4.1946917 -2.0263915 -2.6966379 3.2654233 -0.28343284 -3.36297 -0.22679861 3.6954112 -6.1844273 -8.210314 -4.6442037 9.202755 0.558085 3.8096938 1.7321708 5.8928566 10.340516 -2.0581334 2.502773 1.1561657 -3.7358007 4.419836 -5.675549 1.7435575 9.918196 -0.5823358 2.38456 2.2566085 -0.9922795 1.8144308 0.79430246 1.6658468 3.5277863 -9.226037 1.4491595 -3.6732497 -0.27328777 1.0635492 -0.75560635 4.673421 -0.59828794 -0.1556504 0.4252091 2.473162 5.130614 0.104252346 -2.4049885 4.5938444 4.774335 5.628184 1.7638841 -0.70551586 -4.9147186 0.30972582 2.2737856 -5.1336703 1.4973834 6.9775696 -3.7537112 0.97133803 4.6274805 8.07266 1.3873179 0.23493543 1.5524064 -2.5072865 0.47330076 -0.42676872 5.8443413 0.8820999 9.906852 -3.4581354 3.5349112 -4.9379754 -5.2999625 -4.1891713 5.8000607 -2.9922984 0.07340917 1.7276206 0.9454837 -1.0413895 -4.231068 -2.6936247 -3.2635815 -1.8643713 -2.4588852 4.685911 3.9574666 0.83984625 8.532748 2.1883335 -6.2307143 -5.9196377 2.1641219 2.6531527 -1.0286634 1.2120448 0.21778955 3.0401087 -5.4091916 -3.2500494 5.669349 5.617995 2.33931 4.4192586 -6.867015 -4.7247906 4.8907614 -2.3545237 -0.88374126 -4.049487 -8.024649 1.1569387 5.30554 2.0841117 3.0295594 0.040750533 4.3933086 -0.36576274 3.5682144 3.2716382 1.0231856 -5.3229074 3.7045476 -6.2927527 -0.7920658 8.201597 5.90957 -1.2538738 -2.8557928 1.3709965 1.5591009 2.363019 1.777639 4.8474464 -5.6517887 8.914401 0.7421777 -3.1335258 1.8489542 0.07287443 2.524424 1.0972687 -2.498893 0.8592192 2.325181 -8.522267 2.7979996 3.1114624 -2.3151197 7.224762 2.4720352 3.672809 -3.85808 6.0625873 3.673983 5.8185205 -1.6600125 2.8351 0.95946556 -2.015764 1.110022 4.6590114 1.0861547 1.2365522 -5.4179335 1.0280745 -3.2319298 2.2653608 0.5730939 2.3659909 5.9544635 4.8370285 3.6167123 8.468708 6.1160398 -5.7295647 6.1850514 4.819543 4.6798263 2.3039103 -6.3841257 -0.37612134 -0.5781761 -7.806017 -6.081116 -1.953508 -0.658189 3.4519415 3.418721 6.9727154 9.702461 0.9104009 -0.908741 2.5526795 6.220329 -2.8206139 -0.3376376 -2.5448365 -5.233774 2.0649796 1.5323384 0.97794604 2.0446877 -6.0652437 -2.057482 1.5072521 -2.8069382 -6.4925814 -1.4470651 1.1998098 4.118413 6.820322 7.7164993 -2.6276033 3.1795855 -0.091919675 -2.3452451 0.60124844 1.9057992 -0.2647232 2.8454368 -3.7078385 -5.538781 1.8217709 -4.5219216 5.527694 -0.5583699 4.459905 -2.521675 -4.004951 1.8448871 0.6931046 3.277398 6.131284 -5.219594 -4.1238914 5.0981216 -2.1287198 -3.869132 -5.451973 -2.695814 -9.020682 -2.3274236 2.899138 -0.91841793 -2.6156964 -0.79805034 -1.138158 6.8653355 7.461776 -1.364948 3.4227426 -1.9622682 -0.120675474 -3.8298013 0.2900916 11.587792 10.366096 -2.2512994

Glu-Ile-Phe is a tripeptide composed of L-glutamic acid, L-isoleucine and L-phenylalanine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-glutamic acid, a L-isoleucine and a L-phenylalanine.

-1.1340433 5.94939 -0.4675964 -9.109055 -1.4814277 -10.815376 -3.2911012 3.7516265 -7.071111 1.6060236 6.0695553 -9.846488 1.2347443 -0.6100528 -0.98128045 -5.4322224 -0.60303867 -1.0212233 -9.617597 5.710711 -9.365119 -5.331901 -2.2032669 -8.583801 -3.092076 1.7707374 3.4707122 5.2877107 -4.624785 -8.022815 -0.63619995 -5.0174685 0.6964992 6.8798714 2.4912376 6.197512 -0.07499473 4.886842 0.7406885 9.603363 -4.0219793 0.56603104 -0.8728194 -2.8707898 -10.7070055 -2.0209296 2.2398171 1.499857 -3.6002355 7.5696354 7.799898 3.52704 0.41447115 6.1742387 3.4500158 -0.90444857 3.29349 -0.3735466 -2.5500846 -2.3979325 -1.3430213 -5.6862264 6.5357895 7.031671 -5.175696 5.4578047 4.6104956 2.4057798 0.050716862 1.9499652 -0.044851035 7.187521 -7.9609866 -0.175037 -3.8157096 -0.74768734 -4.8092213 1.7941527 1.5013205 8.231166 -6.2657394 -4.4130588 -1.6051846 6.133876 3.865502 -4.310372 1.1589468 3.2976825 8.332575 -0.3366347 -0.69140106 -1.8450564 -1.4691639 4.3665504 -0.25359744 3.198491 0.12321736 0.37828887 -7.3088818 1.3878435 1.7053213 0.98925805 -5.284671 -5.6885166 0.31302875 -2.51349 -2.7930524 -0.9644586 -0.88003635 5.5610437 -5.2156663 -7.2514687 -9.066471 -0.06396891 2.3146544 -2.8355331 4.4869437 6.801124 2.8050084 7.1416445 2.6367397 -0.3668729 -6.660043 -0.7716655 7.2180886 -8.350833 9.808038 11.768252 -0.15192772 0.66032994 12.5537815 1.332071 -8.419172 6.500231 7.679121 -0.960375 -3.7487833 -2.5746765 12.237946 -0.35082892 -2.6550632 -2.1479695 1.0717071 7.1916533 12.488723 -13.179051 -2.2038233 4.0056853 -6.9921064 1.4738568 4.9446754 -3.9632943 -10.546962 3.6357825 -0.9583649 -0.19273221 7.3669124 4.1631494 7.6203403 -5.9673724 -9.532949 0.33846527 -4.1095667 -7.6539454 3.8588235 -6.9822206 14.782315 4.843808 -5.4503684 -0.34437507 -2.4719949 5.5431814 4.06155 1.8156555 -0.53310287 -4.9422235 14.297061 9.006274 -12.876535 -13.451982 9.397758 -2.0518904 -7.570225 3.9504073 8.528551 4.2742043 -6.130706 2.6105757 3.1324673 6.0758705 9.399879 5.7619066 2.1717088 -6.9206166 -3.3502593 -0.095250145 4.975365 4.038175 1.534688 -2.7800994 -4.779747 -6.264559 2.4208298 5.629851 -1.0355994 -2.3495662 5.8374653 2.1645377 7.121632 5.3827724 1.9678905 3.2795165 2.1244779 -0.5140975 5.286007 3.5371218 -9.24878 -0.067782484 4.71716 -1.0274749 0.16212109 -0.023444325 -7.117355 3.021691 -13.193605 2.0635657 -0.42172945 2.6605039 -7.1419125 4.0418234 1.4808493 6.283254 -6.18554 -4.9044085 2.75848 2.6046484 3.6930778 -0.6332351 -1.4190483 0.2078276 1.9839575 -0.0454776 -0.51930076 -0.79169714 1.7516949 -5.7724075 -0.26300582 -2.3385136 -7.397262 2.74119 7.3735685 5.5875587 -0.7774159 2.673148 -4.6238093 0.099639684 8.631731 -3.414514 1.7906462 -2.648876 0.9527432 -6.5059614 -3.9800694 1.1496593 -0.493931 1.0905609 2.8872085 2.9647613 6.5082517 -2.3556943 -1.2863499 -1.3664516 3.3488822 6.3719306 10.1922 -3.2665792 -0.32802007 2.9732187 -2.4107673 -2.094765 -8.158411 -1.5258311 -1.5088887 6.313489 8.712324 -0.42159995 3.2089314 1.1264032 5.579666 -1.989552 11.510252 -1.1207592 7.1096253 -5.832305 -2.015088 -8.346607 1.0066878 0.26912248 4.0541415 5.023875