anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O is an anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3. It has a role as a plant metabolite and a food component. It is a beta-D-galactoside, an anthocyanin cation and a monosaccharide derivative. It derives from a cyanidin cation. It is a conjugate acid of a cyanidin 3-O-beta-D-galactoside betaine.
The molecule COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O is a methyl D-glucopyranuronate in which the carbon bearing the anomeric hydroxy group has beta configuration. It derives from a beta-D-glucuronic acid.
The molecule OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O is A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions. It has the role of iron chelator . Its functional parent is 2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol .   It is also related to or classified as phenols  . It is also related to or classified as benzoic acids , monocarboxylic acid , triazoles .
The molecule O=C/1N2[C@@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2 O=C/1N2[C@@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2 is (+/-)-8-epihydroxy-brevianamide R. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=COCc1ccccc1 O=COCc1ccccc1 is Benzylformate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C=1(C(=C(Cl)C=CC1)C2N(C(=O)C(S2)C)CC3=CN=CC=C3)Cl C=1(C(=C(Cl)C=CC1)C2N(C(=O)C(S2)C)CC3=CN=CC=C3)Cl is 2-(2,6-Dichlorophenyl)-5-methyl-3-(3-pyridylmethyl)thiazolidin-4-one. It has the role of anticoronaviral agent . It is also related to or classified as dichlorobenzene  .
The molecule [O-]C(CCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCCC)O)O)=O [O-]C(CCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCCC)O)O)=O is A DiHETE(1-) that is the conjugate base of 14(R),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as long-chain fatty acid anion  .
The molecule C[N+](C)(C)CC=O is a quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine. It has a role as an Escherichia coli metabolite, a plant metabolite, an Aspergillus metabolite, a mouse metabolite and a human metabolite.
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is the amino hexasaccharide derivative alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-D-GlcpNAc in which the anomeric configuration of the reducing-end GlcNAc residue is beta. It is also related to or classified as alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-D-GlcpNAc  . It is also related to or classified as amino sugar .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as icosanoyl (arachidoyl) and arachidonoyl respectively. It derives from an arachidonic acid and an icosanoic acid.
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O is oleanolic acid 3-O-beta-D-glucosiduronic acid. Its functional parent is oleanolic acid . It is also related to or classified as beta-D-glucosiduronic acid .
The molecule O=C(OC)C1=C[C@H]2O[C@H]2[C@@H](C1)O O=C(OC)C1=C[C@H]2O[C@H]2[C@@H](C1)O is (+)-3,4-Anhydroshikimic acid methyl este. It is also related to or classified as enoate ester  .
The molecule Oc1c(Br)cc(cc1Br)C#N Oc1c(Br)cc(cc1Br)C#N is A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant . Its functional parent is 2,6-dibromophenol . It is a conjugate acid of 3,5-dibromo-4-oxidobenzonitrile(1-) .  It is also related to or classified as phenols  . It is also related to or classified as dibromobenzene  . It is also related to or classified as hydroxynitrile .
The molecule Cc1cnc2ccc3n(C)c(N)nc3c2n1 Cc1cnc2ccc3n(C)c(N)nc3c2n1 is an imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by an amino group. A mutagenic compound found in cooked beef. It has the role of mutagen . It has the role of genotoxin . It has the role of carcinogenic agent . It has the role of Maillard reaction product . It is also related to or classified as aromatic amine , imidazoquinoxaline .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Oc1ccc(CC(=O)C([O-])=O)cc1O Oc1ccc(CC(=O)C([O-])=O)cc1O is A 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 3,4-dihydroxyphenylpyruvic acid. Its functional parent is pyruvate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(O)=O CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(O)=O is the S-benzyl derivative of N-acetyl-L-cysteine. It has the role of human urinary metabolite . It has the role of rat metabolite . It is a conjugate acid of N-acetyl-S-benzyl-L-cysteine(1-) . It is also related to or classified as organic sulfide  . It is also related to or classified as S-substituted N-acetyl-L-cysteine  .
The molecule CCCCCCCCCCCCCC[C@@H](C(=O)O)O is the S-enantiomer of 2-hydroxypalmitic acid. It is a 2-hydroxyhexadecanoic acid and a (2S)-2-hydroxy monocarboxylic acid. It is a conjugate acid of a (S)-2-hydroxyhexadecanoate. It is an enantiomer of a (R)-2-hydroxyhexadecanoic acid.
The molecule C[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O C[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O is the (2S,3S)-diastereomer of 2-methylcitric acid. It is a conjugate acid of (2S,3S)-2-methylcitrate(3-) . It is also related to or classified as 2-methylcitric acid  .
The molecule C(CNCC(=O)[O-])[NH2+]CC(=O)[O-] is a dicarboxylic acid anion that is the conjugate base of ethylenediaminediacetic acid. It is a conjugate base of an ethylenediaminediacetic acid.
The molecule [NH3+]c1cc(ccc1O)[As]=[As]c1ccc(O)c([NH3+])c1 [NH3+]c1cc(ccc1O)[As]=[As]c1ccc(O)c([NH3+])c1 is 3,3'-diarsene-1,2-diylbis(6-hydroxyanilinium). It is a conjugate acid of 4,4'-diarsene-1,2-diylbis(2-aminophenol) . It is also related to or classified as diarsenes .
The molecule O=C1O[C@@H]2C=3C(O[C@]4([C@@H]2C[C@@H](C)O4)C[C@@H]5OC(=O)CC5)=CC(=C6C3C1=C(O)C=C6C)OC O=C1O[C@@H]2C=3C(O[C@]4([C@@H]2C[C@@H](C)O4)C[C@@H]5OC(=O)CC5)=CC(=C6C3C1=C(O)C=C6C)OC is Neonectriolide E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OP(O)(O)=O.C[C@H](COc1ccccc1Cc1ccccc1)N1CCCCC1 OP(O)(O)=O.C[C@H](COc1ccccc1Cc1ccccc1)N1CCCCC1 is an organoammonium phosphate resulting from the formal reaction of equimolar amounts of (R)-benproperine and phosphoric acid. It is also related to or classified as organoammonium phosphate .
The molecule C=1(C=NC=2C(N1)=C3C(=CC2)N(C(=N3)NO)C)C C=1(C=NC=2C(N1)=C3C(=CC2)N(C(=N3)NO)C)C is an imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by a hydroxyamino group. The active metabolite of the dietary carcinogen MeIQx. It has the role of mutagen . It has the role of genotoxin . It has the role of carcinogenic agent . It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . It has the role of rat metabolite . Its functional parent is MeIQx . It is also related to or classified as hydroxylamine  . It is also related to or classified as imidazoquinoxaline .
The molecule Oc1cc(Cl)cc(Cl)c1O Oc1cc(Cl)cc(Cl)c1O is A dichlorocatechol carrying chloro groups at positions 3 and 5. It is also related to or classified as dichlorocatechol .
The molecule COC(=O)/C=C/C1=C(C=CC(=C1)O)O is a cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid. It has a role as a human urinary metabolite. It is a cinnamate ester, a member of hydroquinones and a methyl ester.
The molecule [H]C(=O)N(Cc1cnc(C)nc1N)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1 [H]C(=O)N(Cc1cnc(C)nc1N)C(C)=C(CCOP(O)(O)=O)SC(=O)c1ccccc1 is A thioester that is a synthetic analogue of thiamine obtained by acylative cleavage of the thiazole ring and O-phospohorylation. It has the role of antioxidant . It has the role of protective agent . It has the role of nutraceutical . It has the role of immunological adjuvant . It has the role of provitamin B1 . Its functional parent is thiamine(1+) .    It is also related to or classified as thioester  . It is also related to or classified as formamides , organic phosphate , aminopyrimidine .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC=C(C3=O)C4=CC(O)=C(OC)C=C4)=C2)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC=C(C3=O)C4=CC(O)=C(OC)C=C4)=C2)CO is Iristectorigenin A 7-O-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CC1=C(C(=C(C(=C1CC=C)C)OC)O)C is a derivative of eugenol with methyl substituents at ring positions 3, 5 and 6. It derives from a eugenol.
The molecule O1[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO O1[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO is A D-gulofuranose that has beta configuration at the anomeric centre. It is also related to or classified as D-gulofuranose  .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CNC5=CC=CC=C54)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of indol-3-ylacetic acid. It derives from a coenzyme A and an indole-3-acetic acid. It is a conjugate acid of an indol-3-ylacetyl-CoA(4-).
The molecule N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O is an L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group. It is also related to or classified as guanidines , N-nitro compound , non-proteinogenic L-alpha-amino acid , L-arginine derivative .
The molecule BrC#C/C=C\C[C@@H]1O[C@H]1/C=C/[C@H](O)CCCCCCCC(=O)O BrC#C/C=C\C[C@@H]1O[C@H]1/C=C/[C@H](O)CCCCCCCC(=O)O is 18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene-17-ynoic acid methyl ester. It is also related to or classified as long-chain fatty acid  .
The molecule C(\C=C/C=C/CCC)CCCCCCCC([H])=O C(\C=C/C=C/CCC)CCCCCCCC([H])=O is A polyunsaturated fatty aldehyde that is hexadecadienal in which the two double bonds are located at positions 10 and 12 (the 10Z,12E-geoisomer). It is also related to or classified as polyunsaturated fatty aldehyde .
The molecule O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)[C@H]5C[C@@H](O)[C@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H](C(=O)C=C7)C)CC6)C)[C@H](C5)C O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)[C@H]5C[C@@H](O)[C@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H](C(=O)C=C7)C)CC6)C)[C@H](C5)C is Grincamycin H. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule CC[C@@H]1CC[C@@H]2O[C@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)[C@@H](C)[C@H](OC(=O)\C=C\[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@](C)(O)[C@@H](O)[C@H](C)C\C=C\C=C\1)[C@@H]2C CC[C@@H]1CC[C@@H]2O[C@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)[C@@H](C)[C@H](OC(=O)\C=C\[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@](C)(O)[C@@H](O)[C@H](C)C\C=C\C=C\1)[C@@H]2C is an oligomycin with formula C45H74011. An inhibitor of mitochondrial F1FO ATP synthase that induces apoptosis in a variety of cell types and exhibits antifungal, antitumour, and nematicidal activities, but its clinical application has been limited by poor solubility in water and other biocompatible solvents. It has the role of nematicide . It has the role of antineoplastic agent . It has the role of EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor . It is also related to or classified as oligomycin  . It is also related to or classified as pentol  . It is also related to or classified as diketone  . It is also related to or classified as antibiotic antifungal agent .
The molecule C1COC(=O)C1N is a butan-4-olide having an amino substituent at the 2-position. It has a role as an Escherichia coli metabolite. It is a primary amino compound and a butan-4-olide. It is a conjugate base of a homoserinium lactone.
The molecule [H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3N1CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]2O)cc1 [H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3N1CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]2O)cc1 is trianion of 5,10-methylenetetrahydromethanopterin arising from deprotonation of phosphate and carboxy groups; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1[C@@H](C(=O)[C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O is a doubly-charged nucleotide-sugar oxoanion arsing from deprotonation of the diphosphate OH groups of dTDP-3-dehydro-6-deoxy-alpha-D-galactose; major microspecies at pH 7.3. It is a conjugate base of a dTDP-3-dehydro-6-deoxy-alpha-D-galactose.
The molecule O=C/1N2[C@@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 O=C/1N2[C@@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2 is Brevianamide Q. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1=C[C@H](O)[C@](O)(C=C1)C(O)=O CC1=C[C@H](O)[C@](O)(C=C1)C(O)=O is the (1R,6S)-diastereomer of 1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid. It is a conjugate acid of (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylate . It is also related to or classified as cis-1,6-dihydroxy-4-methylcyclohexa-2,4-dienecarboxylic acid .
The molecule OC(=O)CCCC[C@@](O)(CC(O)=O)C(O)=O OC(=O)CCCC[C@@](O)(CC(O)=O)C(O)=O is A chiral tricarboxylic acid in which a central carbon carries hydroxy, carboxy, carboxymethyl and 4-carboxybutyl substituents with R-configuration at the chiral centre. It is a conjugate acid of (2R)-trihomocitrate(3-) . It is also related to or classified as tricarboxylic acid .
The molecule FC(F)(F)C1(F)N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C1(F)F FC(F)(F)C1(F)N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C1(F)F is an organofluorine compound that is 4-methylquinolizidine in which all of the hydrogens are replaced by fluorines. It has the role of blood substitute . Its functional parent is 4-methylquinolizidine . It is also related to or classified as organofluorine compound  .
The molecule [H][C@]1(CC2=NCCc3cc(O)c(OC)cc23)C[C@]2([H])N(CCc3c(O)c(OC)c(OC)cc23)C[C@@H]1CC [H][C@]1(CC2=NCCc3cc(O)c(OC)cc23)C[C@]2([H])N(CCc3c(O)c(OC)c(OC)cc23)C[C@@H]1CC is an isoquinoline alkaloid that is 1',2'-didehydroemetan bearing two hydroxy substituents at positions 6' and 9 as well as three methoxy substituents at positions 7', 10 and 11. It has the role of plant metabolite . It is also related to or classified as isoquinoline alkaloid , isoquinolines , polyphenol , aromatic ether , pyridoisoquinoline .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)CO)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O is a branched amino pentasaccharide consisting of the linear sequence beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-D-Glc having a Neu5Ac residue attached to the inner galactose via an alpha-(2->3) linkage. It is an amino pentasaccharide and a galactosamine oligosaccharide.
The molecule OS(=O)(=O)O is a sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. It has a role as a catalyst. It is a conjugate acid of a hydrogensulfate.
The molecule ClC1=C(OC)C(O)=C(O)C=C1C ClC1=C(OC)C(O)=C(O)C=C1C is Alcalinaphenol A. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule [H] [H] is monoatomic hydrogen. It is also related to or classified as monoatomic entity , elemental hydrogen .
The molecule CC(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O CC(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O is an abscisic acid in which the two acyclic double bonds both have trans-geometry. It is a conjugate acid of 2-trans-abscisate . It is also related to or classified as abscisic acids  .
The molecule NC(=O)NC(=O)C([O-])=O NC(=O)NC(=O)C([O-])=O is the conjugate base of oxaluric acid; major species at pH 7.3. It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule C/C=C(/C(=C/C)/C1=CC=C(C=C1)O)\\C2=CC=C(C=C2)O is an olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively. It has a role as a xenoestrogen. It is a member of phenols and an olefinic compound.
The molecule O=C1N2[C@@H](C(=O)N[C@H]1C(C)C)CCC2 O=C1N2[C@@H](C(=O)N[C@H]1C(C)C)CCC2 is Cyclo(D-Pro-L-Val). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OC(=O)C[NH3+])O)O)N is a zwitterion resulting from the transfer of a proton from the phosphate to the glycyl amino group of glycyl-AMP; major species at pH 7.3. It is a conjugate acid of a glycyl-AMP(1-). It is a tautomer of a glycyl-AMP.
The molecule CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C(O)=O CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C(O)=O is the 8'-hydroxylated derivative of (+)-abscisic acid. Its functional parent is 2-cis-abscisic acid . It is a conjugate acid of (+)-8'-hydroxyabscisate . It is also related to or classified as apo carotenoid sesquiterpenoid .
The molecule OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O is A glucopyranose having D-configuration. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as D-glucose  . It is also related to or classified as glucopyranose  .
The molecule Clc1cccc2cccnc12 Clc1cccc2cccnc12 is 8-chloroquinoline.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)OCC is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (8Z,11Z,14Z,17Z)-icosatetraenoic acid with the hydroxy group of ethanol. It derives from an all-cis-8,11,14,17-icosatetraenoic acid.
The molecule O=C(OCc1ccccc1)c1ccccc1 O=C(OCc1ccccc1)c1ccccc1 is A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. It has the role of acaricide . It has the role of scabicide . It has the role of plant metabolite . Its functional parent is benzoic acid . It is also related to or classified as benzoate ester , benzyl ester .
The molecule CCCCCCCCCCCCCCCC(O)C(N)CO CCCCCCCCCCCCCCCC(O)C(N)CO is an aminodiol that is octadecane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2.  It is also related to or classified as sphingoid  . It is also related to or classified as aminodiol .
The molecule OC(=O)C(=O)Cc1cc(I)c(O)c(I)c1 OC(=O)C(=O)Cc1cc(I)c(O)c(I)c1 is A derivative of pyruvic acid carrying a 3,5-diiodo-4-hydroxyphenyl group at the 3-position. Its functional parent is pyruvic acid . It is a conjugate acid of (3,5-diiodo-4-oxidophenyl)pyruvate(2-) . It is also related to or classified as organoiodine compound  .
The molecule C(C[C@@H](C(=O)[O-])N)CN=C(N)N is an L-alpha-amino acid anion that is the conjugate base of L-arginine; obtained by deprotonation of the carboxy group. It is an argininate and a L-alpha-amino acid anion. It is a conjugate base of a L-arginine. It is an enantiomer of a D-argininate.
The molecule O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C=C2)=COC4=C1C=CC(=C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C=C2)=COC4=C1C=CC(=C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C is Daidzein-4',7-di-(2-deoxy-alpha-L-fucopyranoside). It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule O=[Ti]=O O=[Ti]=O is A titanium oxide with the formula TiO2.  A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. It has the role of food colouring . It is also related to or classified as titanium oxides .
The molecule C1C(C(C(=CC1=O)C)(/C=C/C(=C/C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C)O)(C)C C1C(C(C(=CC1=O)C)(/C=C/C(=C/C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C)O)(C)C is an enoate ester that results from the condensation of the carboxylic acid group of 2-trans-abscisic acid with the anomeric hydroxy group of D-glucopyranose. It has the role of plant metabolite . Its functional parent is D-glucopyranose . Its functional parent is 2-trans-abscisic acid .  It is also related to or classified as enoate ester  . It is also related to or classified as glucoside , O-acyl carbohydrate .
The molecule C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(/C[C@@H](C[C@@H](/C=C\\C(=O)O3)O)CO)\\C)C=C1C)CC(C)C is a cytochalasin isolated from a fungus Phoma sp. that has been shown to possess potent inhibitory activity against HT-29 colonic adenocarcinoma cells. It has a role as an antineoplastic agent and a fungal metabolite. It is a cytochalasin, a macrolide antibiotic and an organic heterotricyclic compound.
The molecule [Cl-].CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC [Cl-].CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC is the monohydrochloride salt of oxybuprocaine. It has the role of local anaesthetic . It is also related to or classified as hydrochloride .
The molecule O=C1O[C@@H]([C@H](O)C=2C1=C(O)C3=C(O)C(C4=C(O)C5=C(O)C=6C(=O)O[C@H](CCC(CC)C)[C@@H](C6C=C5C=C4OC)O)=C(OC)C=C3C2)CCC(CC)C O=C1O[C@@H]([C@H](O)C=2C1=C(O)C3=C(O)C(C4=C(O)C5=C(O)C=6C(=O)O[C@H](CCC(CC)C)[C@@H](C6C=C5C=C4OC)O)=C(OC)C=C3C2)CCC(CC)C is Mycopyranone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .