anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COP(=O)(OC)OC1=C(Cl)C2C=CCC12 COP(=O)(OC)OC1=C(Cl)C2C=CCC12 is heptenophos. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organophosphate insecticide , trialkyl phosphate .
The molecule C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC/C=C(/CC/C=C(/CC[C@H]3C(O3)(C)C)\C)\C)C)[H])(C)C)O C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC/C=C(/CC/C=C(/CC[C@H]3C(O3)(C)C)\C)\C)C)[H])(C)C)O is A triterpenoid that is an intermediate in the biosynthesis of alpha-onocerin by the fern Lycopodium clavatum. It has the role of plant metabolite . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as triterpenoid  . It is also related to or classified as carbobicyclic compound , olefinic compound .
The molecule [C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(OCC(COP(OC[C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O)=O)([O-])=O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC [C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(OCC(COP(OC[C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([O-])=O)=O)([O-])=O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC is a tetralinoleoyl cardiolipin with an oxidized glycerol. It is also related to or classified as cardiolipin ketone(2-)  .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](COS([O-])(=O)=O)[C@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C([O-])=O CC(=O)N[C@H]1[C@H](O)O[C@H](COS([O-])(=O)=O)[C@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C([O-])=O is A 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-) in which the galactose moiety has beta-configuration at the anomeric centre. It is also related to or classified as 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-)  .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of 5beta-pregnane 3alpha,20alpha-diol 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C(CSSCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)O)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(=O)O)O)O)O)O is an oligosaccharide derivative consisting of two alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy disaccharide units linked via a dithiodiethyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881). It is an oligosaccharide derivative and an organic disulfide.
The molecule FC1=CC=C(CN2C=3C(C(=C2)C(OC=4C=5C(C=CC4)=CC=CC5)=O)=CC=CC3)C=C1 FC1=CC=C(CN2C=3C(C(=C2)C(OC=4C=5C(C=CC4)=CC=CC5)=O)=CC=CC3)C=C1 is 1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 1-naphthalenyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule C1C[C@@H](C([C@]2([C@]1(C(=C(CC2)C)CCC3=C(CC[C@@]4([C@@]3(CC[C@@H](C4(C)C)O)C)[H])C)C)[H])(C)C)O C1C[C@@H](C([C@]2([C@]1(C(=C(CC2)C)CCC3=C(CC[C@@]4([C@@]3(CC[C@@H](C4(C)C)O)C)[H])C)C)[H])(C)C)O is A triterpenoid that is ethane in which each carbon has been substituted by a (4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl group. It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as triterpenoid  . It is also related to or classified as olefinic compound .
The molecule [H]C(=O)C(O)C(C([H])=O)C1=C(O)C=C(OC)C2=C1OC(=O)C=3C(=O)CCC32 [H]C(=O)C(O)C(C([H])=O)C1=C(O)C=C(OC)C2=C1OC(=O)C=3C(=O)CCC32 is A 1,4-dialdehyde compound having a hydroxy substituent at the 2-position and a 7-hydroxy-9-methoxy-3,4-dioxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl group at the 3-position. It is a conjugate acid of aflatoxin B1 dialdehyde(1-) . It is also related to or classified as dialdehyde , furochromene .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O is A 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose in which the galactose residue has beta-configuration at the anomeric centre. Its functional parent is 4-deoxy-Delta(4)-beta-D-GlcpA . Its functional parent is beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc . It is a conjugate acid of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc6S(2-) . It is also related to or classified as 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose  . It is also related to or classified as acetamides , oligosaccharide sulfate .
The molecule [C@@]12([C@@]([C@@]3(C(CC1)=CC(CC3)=O)C)(CC[C@]4(C)[C@H](CC[C@@]24[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H] [C@@]12([C@@]([C@@]3(C(CC1)=CC(CC3)=O)C)(CC[C@]4(C)[C@H](CC[C@@]24[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H] is A steroid glucuronide anion that is the conjugate base of testosterone 17-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C1=CC=C2C(=C1)C(=O)N[C@@H]3N2C=N[C@H]3C4=CC=C(C=C4)O is an alkaloid that is 3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one substituted by a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium paneum. It has a role as a Penicillium metabolite. It is an organic heterotricyclic compound, an alkaloid and a member of phenols.
The molecule FC1=CC=C(CN2C=3C(C(=C2)C(OC=4C=5N=CC=CC5C=CC4)=O)=CC=CC3)C=C1 FC1=CC=C(CN2C=3C(C(=C2)C(OC=4C=5N=CC=CC5C=CC4)=O)=CC=CC3)C=C1 is 1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 8-quinolinyl ester. It is also related to or classified as indolyl carboxylic acid .
The molecule C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC[C@H]3C(CC[C@@]4([C@@]3(CC[C@@H](C4(C)C)O)C)[H])=C)C)[H])(C)C)O C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC[C@H]3C(CC[C@@]4([C@@]3(CC[C@@H](C4(C)C)O)C)[H])=C)C)[H])(C)C)O is A triterpenoid that is ethane in which each carbon has been substituted by a (1R,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl group. It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as triterpenoid  . It is also related to or classified as olefinic compound .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of 5beta-pregnane 3alpha,20alpha-diol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C1=CN(C(=NCCCC[C@@H](C(=O)O)N)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O is a pyrimidine ribonucleoside 5'-monophosphate that is CMP in which the 2-keto group on the cytosine ring is replaced by an epsilon-L-lysyl residue. It is a pyrimidine ribonucleoside 5'-monophosphate, a member of cytidines, a L-lysine derivative and a non-proteinogenic L-alpha-amino acid. It derives from a lysidine and a cytidine 5'-monophosphate. It is a conjugate acid of a lysidine monophosphate(1-).
The molecule C(CS([O-])(=O)=O)NC(CC)=O C(CS([O-])(=O)=O)NC(CC)=O is major microspecies at pH 7.3. It is also related to or classified as fatty acid-taurine conjugate(1-)  . It is also related to or classified as alkanesulfonate oxoanion  .
The molecule C(\C=C/C=C\C(C/C=C\CCCCCC(O)=O)OO)=C/C(C/C=C\CC)OO C(\C=C/C=C\C(C/C=C\CCCCCC(O)=O)OO)=C/C(C/C=C\CC)OO is A hydroperoxydocosapentaenoic acid that is (7Z,11Z,13Z,15E,19Z)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid . It is a conjugate acid of (7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosapentaenoate . It is also related to or classified as hydroperoxydocosapentaenoic acid .
The molecule C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]([NH3+])[C@@H]1O C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]([NH3+])[C@@H]1O is A nucleotide-sugar oxoanion that is the conjugate base of dTDP-3-amino-3,6-dideoxy-alpha-D-glucose, arising from deprotonation of the diphosphate group and protonation of the amino group. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CC1=C(C(=C(C=C1)C)O)C(=O)O is a monohydroxybenzoic acid consisting of salicylic acid carrying two methyl groups at the 3 and 6 positions. It derives from a salicylic acid.
The molecule [C@H]1(C/C=C(\C)/C=C)C(=C)CC[C@@]2([C@]1(C)CCCC2(C)C)[H] [C@H]1(C/C=C(\C)/C=C)C(=C)CC[C@@]2([C@]1(C)CCCC2(C)C)[H] is A diterpene derived from labdane by dehydrogenation across the C(8)-C(17), C(12)-C(13) and C(14)-C(15) bonds. It is also related to or classified as diterpene  .
The molecule NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A coenzyme found in all living cells; consists of two nucleotides joined through their 5'-phosphate groups, with one nucleotide containing an adenine base and the other containing nicotinamide. It has the role of cofactor . It has the role of fundamental metabolite . It is a conjugate acid of NADH(2-) . It is also related to or classified as NAD , NAD(P)H .
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](N)[C@@H]1O C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](N)[C@@H]1O is A dTDP-sugar having 3-amino-3,6-dideoxy-alpha-D-glucose as the sugar component. Its functional parent is dTDP-D-glucose . It is a conjugate acid of dTDP-3-azaniumyl-3,6-dideoxy-alpha-D-glucose(1-) . It is also related to or classified as dTDP-sugar  .
The molecule O1C([C@H](OC(=O)C)C(OC(=O)C)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)C O1C([C@H](OC(=O)C)C(OC(=O)C)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)C is Myricetin 3-(3'',4''-diacetylrhamnoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC=C(C=C1)C(C(=O)[O-])O is a hydroxy monocarboxylic acid anion. It derives from an acetate. It is a conjugate base of a mandelic acid.
The molecule CC(=O)NC1=CC=C(C=C1)C1=CC=C(F)C=C1 CC(=O)NC1=CC=C(C=C1)C1=CC=C(F)C=C1 is A biphenyl that is 1,1'-biphenyl substituted by a fluoro group at position 4 and a acetylamino group at position 4'. It induces neoplastic lesions in rats. It has the role of carcinogenic agent . It is also related to or classified as N-acetylarylamine  . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as biphenyls .
The molecule OC(=O)C1=CC=CC(Br)=C1 OC(=O)C1=CC=CC(Br)=C1 is A bromobenzoic acid carrying a single bromo subsituent at the 3-position. It is also related to or classified as bromobenzoic acid .
The molecule [C@H]1(CCC(=C)C=C)C(C)=CC[C@@]2([C@]1(C)CCCC2(C)C)[H] [C@H]1(CCC(=C)C=C)C(C)=CC[C@@]2([C@]1(C)CCCC2(C)C)[H] is A diterpene derived from labdane by dehydrogenation across the C(7)-C(8), C(13)-C(16) and C(14)-C(15) bonds. It is also related to or classified as diterpene  .
The molecule [H][C@@]12CC[C@@]3(C)CCC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)C2=C [H][C@@]12CC[C@@]3(C)CCC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)C2=C is A sesquiterpene lactone isolated from Saussureae Radix and has been shown to exhibit inhibitory activity against melanogenesis. It has the role of metabolite . It has the role of melanin synthesis inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone .
The molecule CC(=O)\C=C\C1=C(C)CCCC1(C)C CC(=O)\C=C\C1=C(C)CCCC1(C)C is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has the role of antioxidant . It has the role of fragrance . It is also related to or classified as ionone  .
The molecule C(/C=C\C=C/C(C/C=C\C/C=C\CCC(O)=O)OO)=C\[C@H](CCCCC)OO C(/C=C\C=C/C(C/C=C\C/C=C\CCC(O)=O)OO)=C\[C@H](CCCCC)OO is A hydroperoxydocosapentaenoic acid that is (4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17. It has the role of human xenobiotic metabolite . Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid . It is a conjugate acid of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate . It is also related to or classified as hydroperoxydocosapentaenoic acid .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A trisaccharide consisting of beta-D-glucopyranosyl, alpha-L-rhamnopyranosyl and beta-D-glucopyranosyl residues connected in sequence by (1->4) and (1->3) links, respectively. It is also related to or classified as beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O is an octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils. It has a role as a plant metabolite, a Daphnia galeata metabolite and a mouse metabolite. It is an omega-3 fatty acid, a long-chain fatty acid and an octadecatetraenoic acid. It is a conjugate acid of a (6Z,9Z,12Z,15Z)-octadecatetraenoate.
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O is A  nucleotide-sugar oxoanion that is the dianion of dTDP-alpha-D-glucose arising from deprotonation of both OH groups of the diphosphate. It has the role of human metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C(CCCCCCCCCCCC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C(CCCCCCCCCCCC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxytetradecanoyl-CoA; major species at pH 7.3. Its functional parent is myristoyl-CoA(4-) . It is also related to or classified as 2-hydroxy-fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  . It is also related to or classified as fatty acyl-CoA(4-)  .
The molecule OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C2C(CC3=CC=CC=C23)=C1 OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C2C(CC3=CC=CC=C23)=C1 is A member of the class of fluorenes that is 9H-fluorene substituted by a (2-carboxybenzoyl)amino group at position 2. It has the role of carcinogenic agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as benzamides , benzoic acids , fluorenes , dicarboxylic acid monoamide .
The molecule [H]C(=O)CC([H])=C([H])CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 [H]C(=O)CC([H])=C([H])CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3,8-dioxooct-5-enoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule OC(CC/C=C\C/C=C\CC(\C=C/C=C\C=C\[C@H](C/C=C\CC)OO)OO)=O OC(CC/C=C\C/C=C\CC(\C=C/C=C\C=C\[C@H](C/C=C\CC)OO)OO)=O is A docosanoid that is (4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at positions 10 and 17. It has the role of human xenobiotic metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate .  It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as docosanoid .
The molecule COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C is famphur. It has the role of agrochemical . It has the role of anthelminthic drug . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-hydroxy-N,N-dimethylbenzenesulfonamide . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule C1(C(=C(C(C(=C1OC)[O-])=O)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)=O C1(C(=C(C(C(=C1OC)[O-])=O)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)=O is major microspecies at pH 7.3. It is also related to or classified as 3-demethylubiquinone(1-) , organic molecular entity .
The molecule C1=CC(=CN=C1)CC(=O)NCC(=O)O is an N-acylglycine in which the acyl group is specified as 3-pyridylacetyl. It has a role as a metabolite. It is a N-acylglycine and a member of pyridines.
The molecule O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@H]3[C@@H]1CO[C@H](C3)C O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@H]3[C@@H]1CO[C@H](C3)C is Ulosporin E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCCCCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCCCCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxydodecanoyl-CoA; major species at pH 7.3. Its functional parent is lauroyl-CoA(4-) . It is also related to or classified as 2-hydroxy-fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as fatty acyl-CoA(4-)  .
The molecule O1[C@H]([C@@H](O)C(O)(C1=O)C([O-])=O)CO O1[C@H]([C@@H](O)C(O)(C1=O)C([O-])=O)CO is major microspecies at pH 7.3. It is also related to or classified as gamma-lactone  .
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[C@@H]1O)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@@H](O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[C@@H]1O)C)[H])[H])[H] is A steroid glucuronide anion that is the conjugate base of estriol 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3. It is also related to or classified as steroid glucosiduronic acid anion .
The molecule [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C(=O)NCCCC [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C(=O)NCCCC is A monocarboxylic acid amide formed by nucleophilic ring cleavage of the beta-lactam ring of amoxicillin by butylamine. Its functional parent is amoxicillin . It is a conjugate acid of amoxicilloyl-butylamine(1-) . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as thiazolidinemonocarboxylic acid .
The molecule CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] is trication of N(1)-acetylspermine arising from protonation of the one primary and two secondary amino groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of N(1)-acetylspermine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O=C1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(C=C3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C O=C1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(C=C3)=CC(=O)CC4)C)(CC2)[H])[H])(CC1)[H])C is Androst-4,6-diene-3,17-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C=1(C(=CC(=CC1C(C)C)OC=2C=CC=CC2)C(C)C)N=C=NC(C)(C)C C=1(C(=CC(=CC1C(C)C)OC=2C=CC=CC2)C(C)C)N=C=NC(C)(C)C is an aromatic ether that is 1,3-diisopropyl-5-phenoxybenzene in which the hydrogen atom at position 2 is substituted by a [(tert-butylimino)methylene]amino group. The active insecticide of the proinsecticide diafenthiuron. It has the role of acaricide . It has the role of insecticide . It has the role of oxidative phosphorylation inhibitor . Its functional parent is diphenyl ether .   It is also related to or classified as carbodiimide  . It is also related to or classified as benzenes , aromatic ether .
The molecule O(P(=O)(OC[C@H](CO)O)[O-])C[C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)CO O(P(=O)(OC[C@H](CO)O)[O-])C[C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)CO is 2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol). Its functional parent is 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) . It is also related to or classified as 2-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)  . It is also related to or classified as organic molecular entity .
The molecule OC12C3C(C4(C(CC3)CC(OC(=O)CCC(=O)NC(CCCN=C(N)N)C(O)=O)CC4)C)CCC1(C(C(OC(=O)C)C2)C=5C=CC(OC5)=O)C OC12C3C(C4(C(CC3)CC(OC(=O)CCC(=O)NC(CCCN=C(N)N)C(O)=O)CC4)C)CCC1(C(C(OC(=O)C)C2)C=5C=CC(OC5)=O)C is Bufotalin 3-succinoylarginine ester. Its functional parent is bufanolide . It is also related to or classified as steroid lactone .
The molecule O(C1=C2C(=C(C=C1OC)NC(CCCN)C)N=C(C=C2C)OC)C3=CC(C(F)(F)F)=CC=C3 O(C1=C2C(=C(C=C1OC)NC(CCCN)C)N=C(C=C2C)OC)C3=CC(C(F)(F)F)=CC=C3 is an aminoquinoline that is 8-aminoquinoline which is substituted by methoxy groups at positions 2 and 6, a methyl group at position 4, and a m-(trifluoromethyl)phenoxy group at position 5, and in which the amino substituent at position 8 is itself substituted by a 5-aminopentan-2-yl group.  It is also related to or classified as aminoquinoline  . It is also related to or classified as aromatic ether , primary amino compound , secondary amino compound , (trifluoromethyl)benzenes .
The molecule [Cr+6] [Cr+6] is chromium(6+). It is also related to or classified as monoatomic hexacation  . It is also related to or classified as chromium cation .
The molecule C1([C@@H](O)C[NH3+])=CC=C(O)C=C1 C1([C@@H](O)C[NH3+])=CC=C(O)C=C1 is in nature, p-octopamine is believed to exist in only one stereoisomeric form, the L- or [R-(-)] form. Its functional parent is 2-phenylethylamine . It is also related to or classified as octopaminium  .