anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(=O)CC(CCCCCCCCCCCC(CCCCCCC)C)C OC(=O)CC(CCCCCCCCCCCC(CCCCCCC)C)C is 3,15-dimethyl-docosanoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule OC(=O)CCCC(O)=O OC(=O)CCCC(O)=O is an alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid. It has the role of human metabolite . It has the role of Daphnia magna metabolite . It is a conjugate acid of glutarate . It is a conjugate acid of glutarate(1-) . It is also related to or classified as dicarboxylic fatty acid , alpha,omega-dicarboxylic acid .
The molecule [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@H](C)C(C)C [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@H](C)C(C)C is it is present in mushrooms. It has the role of fungal metabolite . It is also related to or classified as vitamin D , seco-ergostane .
The molecule CC(C)N(C1=CC=CC=C1)C(=O)CCl is an anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent. It has a role as a herbicide, an environmental contaminant and a xenobiotic. It is an anilide, an organochlorine compound and a monocarboxylic acid amide.
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)SCC(OC)=N [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)SCC(OC)=N is A thioglycoside in which alpha-D-mannopyranosyl-(1->6)-1-thio-alpha-D-mannopyranose is glycosylated at sulfur with a 2-imino-2-methoxyethyl group. It is also related to or classified as thioglycoside .
The molecule CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CCl CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)CCl is 2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO)C)CNC C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO)C)CNC is 1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)OC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)OC(=O)C)Cl)C4=C(C=C(C=C4)CCl)C(=O)OC(=O)C)Cl is a member of the class of xanthenes that is the acetic anhydride of dihydrofluorescein diacetate carrying additional chloro substituents at positions 2 and 7 as well as a chloromethyl substituent meta to the anhydride function. It is a member of xanthenes, an acetate ester, an organochlorine compound and an acyclic carboxylic anhydride. It derives from a fluorescein.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)F is N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO)O)O)O)SCC(OC)=N [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2O[C@@H]([C@H]([C@@H]2O)O)CO)O)O)O)SCC(OC)=N is A thioglycoside in which alpha-D-arabinofuranosyl-(1->6)-1-thio-alpha-D-mannopyranose is glycosylated at sulfur with a 2-imino-2-methoxyethyl group. It is also related to or classified as thioglycoside .
The molecule OC[C@H]1O[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O OC[C@H]1O[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O is alpha-D-glucose 3-phosphate. Its functional parent is alpha-D-glucose . It is also related to or classified as D-glucopyranose 3-phosphate  .
The molecule COc1cccc2c(O)cc(nc12)C(O)=O COc1cccc2c(O)cc(nc12)C(O)=O is A quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8. It has the role of metabolite . It has the role of carcinogenic agent . It has the role of mouse metabolite . Its functional parent is kynurenic acid . It is also related to or classified as quinolinemonocarboxylic acid , aromatic ether , monohydroxyquinoline .
The molecule C[C@H]1[C@@]2([H])CCC(C)=CC[C@]3(C)[C@@]([C@@H](C(C)C)CC3)([H])CC=C(C)C2=CC1 C[C@H]1[C@@]2([H])CCC(C)=CC[C@]3(C)[C@@]([C@@H](C(C)C)CC3)([H])CC=C(C)C2=CC1 is A sesterterpene produced by terpene sythase from Lentzea atacamensis. It has the role of bacterial metabolite . It is also related to or classified as sesterterpene  .
The molecule OC(=O)CCCCC(CCCCCC)C OC(=O)CCCCC(CCCCCC)C is 6-methyl lauric acid. It is also related to or classified as medium-chain fatty acid  .
The molecule C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5CC(CC[C@@]5(CC[C@]43C)C(=O)O)(C)C)C)(C)C=O)O is a pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by a alpha-hydroxy group at position 3, an oxo group at position 23 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has a role as an anti-HBV agent, a plant metabolite and an antibacterial agent. It is a hydroxy monocarboxylic acid, a pentacyclic triterpenoid and an aldehyde. It derives from a hydride of an oleanane.
The molecule C1[C@]2([C@]3([C@@](C4=C(C=C(O)C(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] C1[C@]2([C@]3([C@@](C4=C(C=C(O)C(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] is A steroid glucosiduronic acid that is 2-hydroxyestrone having a single beta-D-glucuronic acid residue attached at position 2. Its functional parent is 2-hydroxyestrone . It is a conjugate acid of 2-hydroxyestrone 2-O-(beta-D-glucuronide)(1-) .  It is also related to or classified as 17-oxo steroid  . It is also related to or classified as beta-D-glucosiduronic acid , steroid glucosiduronic acid , 3-hydroxy steroid .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C is 1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)CC(CCCCCCCCC)C OC(=O)CC(CCCCCCCCC)C is 3-methyl lauric acid. It is also related to or classified as medium-chain fatty acid  .
The molecule c1cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1 c1cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1 is A tetrapyrrole fundamental parent that is the octadehydro drivative of corrin. It is also related to or classified as corroles , tetrapyrrole fundamental parent .
The molecule CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O is a cyclitol ether that is D-myo-inositol carrying methyl and alpha-D-galactosyl substituents at positions 4 and 3 respectively. It is an alpha-D-galactoside, a monosaccharide derivative and a cyclitol ether. It derives from a myo-inositol.
The molecule OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O is A D-glucopyranose 1-phosphate in which the anomeric centre has alpha-configuration. Its functional parent is alpha-D-glucose . It is a conjugate acid of alpha-D-glucose 1-phosphate(2-) . It is also related to or classified as D-glucopyranose 1-phosphate  .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)SCC(OC)=N [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)SCC(OC)=N is A thioglycoside in which 1-thio-alpha-D-mannopyranose is glycosylated at sulfur with a 2-imino-2-methoxyethyl group. It is also related to or classified as thioglycoside .
The molecule CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H](CCCCO1)C)[C@H](C)CO)C is (3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCN=C(N)N)O is a member of the class of cinnamamides obtained by formal condensation of the carboxy group of ferulic acid with the amino group of agmatine. It has a role as an antifungal agent, an EC 5.99.1.2 (DNA topoisomerase) inhibitor and a plant metabolite. It is an alkaloid and a 4-hydroxy-3-methoxycinnamoylagmatine. It derives from an agmatine and a ferulic acid.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CS3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CS3 is N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-thiophenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C2CCC(C)=CC[C@]3(C)[C@@]([C@@H](C(C)C)CC3)([H])CC=C(C)[C@@]2([H])CC1 CC1=C2CCC(C)=CC[C@]3(C)[C@@]([C@@H](C(C)C)CC3)([H])CC=C(C)[C@@]2([H])CC1 is A sesterterpene produced by a sesterterpene synthase from Lentzea atacamensis. It has the role of bacterial metabolite . It is also related to or classified as sesterterpene  .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 is a 17beta-hydroxy steroid and a terminal acetylenic compound. It has a role as an anti-estrogen and an estrogen antagonist. It derives from a hydride of a pregnane.
The molecule C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4 C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl)C4=CC=CC=C4 is 1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule [H][Bi]([H])[H] [H][Bi]([H])[H] is bismuthane. It is also related to or classified as mononuclear parent hydride , bismuth hydride .
The molecule CCC(CCCCCCCCCCCCC(=O)[O-])O is a hydroxy fatty acid anion that is the conjugate base of 14-hydroxypalmitic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a 14-hydroxypalmitic acid.
The molecule O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O is A D-glucopyranose 6-phosphate where alpha-D-glucose is the sugar component. It has the role of mouse metabolite . Its functional parent is alpha-D-glucose . It is a conjugate acid of alpha-D-glucose 6-phosphate(2-) . It is also related to or classified as D-glucopyranose 6-phosphate  .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(C)=O)OC(C)=O)OC(C)=O)OC(=O)C)OC(C)=O)OC(C)=O)OC(C)=O)SCC#N [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(C)=O)OC(C)=O)OC(C)=O)OC(=O)C)OC(C)=O)OC(C)=O)OC(C)=O)SCC#N is A thioglycoside in which 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl-(1->6)-2,3,4-tri-O-acetyl-1-thio-alpha-D-mannopyranose is glycosylated at sulfur with a cyanomethyl group. It is also related to or classified as thioglycoside .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4CC4 is 1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)[NH3+])O)O)(=O)[O-])(=O)[O-] C=1N(C(NC(C1)=O)=O)[C@@H]2O[C@@H]([C@H]([C@H]2O)O)COP(OP(O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)[NH3+])O)O)(=O)[O-])(=O)[O-] is major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule Nc1ncnc2[nH]nnc12 Nc1ncnc2[nH]nnc12 is A triazolopyrimidine that is [1,2,3]triazolo[4,5-d]pyrimidine bearing an amino substituent at position 7. It has the role of Mycoplasma genitalium metabolite . It has the role of EC 1.17.3.2 (xanthine oxidase) inhibitor . It is also related to or classified as aromatic amine , triazolopyrimidines , nucleobase analogue .
The molecule C(CNC(=S)S)NC(=S)S is a dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. It derives from an ethylenediamine. It is a conjugate acid of an ethylenebis(dithiocarbamate).
The molecule COc1c([O-])cc(O)c2c1oc(cc2=O)-c1ccccc1 COc1c([O-])cc(O)c2c1oc(cc2=O)-c1ccccc1 is the  flavonoid oxoanion formed by deprotonation of the 7-hydroxy function of wogonin.  Major structure at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule OC(=O)C(CCCCCCCCCC)C OC(=O)C(CCCCCCCCCC)C is 2-methyl lauric acid. It is also related to or classified as medium-chain fatty acid  .
The molecule CCCCC/C=C\\C[C@@H](/C=C/CCCCCCC(=O)[O-])OO is an unsaturated fatty acid anion that is the conjugate base of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid, obtained by deprotonation of the carboxy group. It is a hydroperoxy fatty acid anion, a long-chain fatty acid anion, a polyunsaturated fatty acid anion and a hydroperoxy polyunsaturated fatty acid anion. It is a conjugate base of an (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid. It is an enantiomer of an (8E,10R,12Z)-10-hydroperoxy-8,12-octadecadienoate.
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2O[C@@H]([C@H]([C@@H]2OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)SCC#N [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2O[C@@H]([C@H]([C@@H]2OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)SCC#N is A thioglycoside in which  2,3,5-tri-O-acetyl-alpha-D-arabinofuranosyl-(1->6)-2,3,4-tri-O-acetyl-alpha-D-thiomannopyranose is glycosylated at sulfur with a cyanomethyl group. It is also related to or classified as thioglycoside .
The molecule C1C\C2=C\C3=N\C(CC3)=C/C3=N/C(CC3)=C\C3=NC(CC3)C1N2 C1C\C2=C\C3=N\C(CC3)=C/C3=N/C(CC3)=C\C3=NC(CC3)C1N2 is A tetrapyrrole fundamental parent that is the core macrocycle of vitamin B12. It has the role of cofactor . It is also related to or classified as corrins , tetrapyrrole fundamental parent .
The molecule OC(=O)CCCCCCC(CCCC)C OC(=O)CCCCCCC(CCCC)C is 8-methyl lauric acid. It is also related to or classified as medium-chain fatty acid  .
The molecule C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(C[C@H]([C@@H]1O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)OC(=O)C)C)C)[C@@H](CCC(=C)C(C)C)C(=O)O is a steroid saponin that is 4-methylergosta-7,24(28)-dien-21-oic acid attached to an acetyloxy group at position 2, and a alpha-L-rhamnopyranosyloxy group at position 3 (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa. It has a role as a plant metabolite. It is a steroid acid, a deoxymannose derivative, a steroid ester, a steroid saponin, an acetate ester and a monocarboxylic acid. It derives from an alpha-L-rhamnopyranose.
The molecule O=C(CCCCCCCC(O)=O)C O=C(CCCCCCCC(O)=O)C is 9-oxo capric acid. It is also related to or classified as medium-chain fatty acid  .
The molecule O=c1cc[nH]c(=O)[nH]1 O=c1cc[nH]c(=O)[nH]1 is A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. It has the role of prodrug . It has the role of allergen . 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 has the role of Daphnia magna metabolite . It is also related to or classified as pyrimidine nucleobase  . It is also related to or classified as pyrimidone .
The molecule O=C(CCCCCCCCCC(O)=O)CCCC O=C(CCCCCCCCCC(O)=O)CCCC is 11-keto pentadecanoic acid. It is also related to or classified as long-chain fatty acid  .
The molecule COC(=O)C1=CC=CC=C1O is a benzoate ester that is the methyl ester of salicylic acid. It has a role as a flavouring agent, a metabolite and an insect attractant. It is a benzoate ester and a member of salicylates. It derives from a salicylic acid.
The molecule CC[Hg]Sc1ccccc1C(O)=O CC[Hg]Sc1ccccc1C(O)=O is ethylmercurithiosalicylic acid. It is a conjugate acid of ethylmercurithiosalicylate . It is also related to or classified as alkylmercury compound .
The molecule OC[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 OC[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 is the beta-anomer of alpha-D-glucosyl-(1->3)-D-mannopyranose. It has the role of human metabolite . It is also related to or classified as alpha-D-glucosyl-(1->3)-D-mannopyranose  .
The molecule [H]C(=O)c1[nH]c(Cc2[nH]c3\C([C@@H](C(=O)OC)C(=O)c3c2C)=C2/N=C(CC3NC(=O)C(C=C)=C3C)[C@@H](C)[C@@H]2CCC(O)=O)c(CC)c1C [H]C(=O)c1[nH]c(Cc2[nH]c3\C([C@@H](C(=O)OC)C(=O)c3c2C)=C2/N=C(CC3NC(=O)C(C=C)=C3C)[C@@H](C)[C@@H]2CCC(O)=O)c(CC)c1C is A member of the class of  bilenes that is red chlorophyll catabolite in which a methylene group is introduced at position 1 via the reduction of a double bond. It is an intermediate of chlorophyll breakdown in plants. It has the role of plant metabolite . Its functional parent is bilene-b . It is a conjugate acid of primary fluorescent chlorophyll catabolite(1-) . It is also related to or classified as bilenes .
The molecule C1C2C(C(=O)C3C(O2)NC4=C(N3)C(=O)NC(=N4)N)OP(=O)(O1)O is a linear-fused organic heterotetracyclic compound consisting of a [1,3,2]dioxaphosphinane fused to a pyran-4-one ring which is in turn fused to a pteridine ring system. It is an organic heterotetracyclic compound, an oxacycle and an organonitrogen heterocyclic compound. It is a conjugate acid of a precursor Z(1-).
The molecule C(SC)C[C@H](C(=O)O)NC(=O)N C(SC)C[C@H](C(=O)O)NC(=O)N is an N-carbamoyl-D-alpha-amino acid derived from D-methionine. It is a conjugate acid of N-carbamoyl-D-methioninate . It is also related to or classified as N-carbamoyl-D-alpha-amino acid  . It is also related to or classified as D-methionine derivative .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)OC C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)OC is 1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][Bi+]([H])([H])[H] [H][Bi+]([H])([H])[H] is bismuthonium. It is a conjugate acid of bismuthane . It is also related to or classified as bismuth hydride , onium cation .
The molecule C(=O)(O)O is a carbon oxoacid and a chalcocarbonic acid. It has a role as a mouse metabolite. It is a conjugate acid of a hydrogencarbonate.
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(C)=O)OC(C)=O)OC(C)=O)SCC#N [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(C)=O)OC(C)=O)OC(C)=O)SCC#N is A thioglycoside in which 2,3,4,6-tetra-O-acetyl-1-thio-D-alpha-mannopyranose is glycosylated at sulfur with a cyanomethyl group. It is also related to or classified as thioglycoside .
The molecule C1COc2ccccc2C1 C1COc2ccccc2C1 is A benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3. It is also related to or classified as chromanes .
The molecule C1=CC=[NH+]C(=C1)CCl is a pyridinium ion obtained by protonation of the nitrogen of 2-(chloromethyl)pyridine. It is a conjugate acid of a 2-(chloromethyl)pyridine.
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(SC)C[C@@H](C(=O)O)NC(=O)N C(SC)C[C@@H](C(=O)O)NC(=O)N is an N-carbamoyl-L-alpha-amino acid derived from L-methionine. It is a conjugate acid of N-carbamoyl-L-methioninate . It is also related to or classified as N-carbamoyl-L-alpha-amino acid  . It is also related to or classified as L-methionine derivative .
The molecule CN(C)C(=C(C#N)C#N)C=CNC1=CC=C(C=C1)C#N CN(C)C(=C(C#N)C#N)C=CNC1=CC=C(C=C1)C#N is 2-[3-(4-cyanoanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule CC([C@H]1[C@]2([H])CC([H])C(C)=CCCC(C)=CCCC(C)=CC[C@@]2(C)CC1)=C CC([C@H]1[C@]2([H])CC([H])C(C)=CCCC(C)=CCCC(C)=CC[C@@]2(C)CC1)=C is A sesterterpene produced by a sesterterpene synthase from Lentzea atacamensis. It has the role of bacterial metabolite . It is also related to or classified as sesterterpene  .
The molecule C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-] is a peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of bradykinin; major species at pH 7.3. It is a tautomer of a bradykinin.
The molecule OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O is d-Glucopyranose having alpha-configuration at the anomeric centre. It has the role of mouse metabolite . It is also related to or classified as D-glucopyranose  .
The molecule OCC1CCCO1 OCC1CCCO1 is A primary alcohol that is methanol in which one of the hydrogens of the methyl group has been replaced by a tetrahydrofuran-2-yl group. It has the role of protic solvent . It is also related to or classified as primary alcohol  . It is also related to or classified as oxolanes .
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C([C@]6(C(=C5)[C@](CC6)([NH3+])C(=O)[O-])[H])C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C([C@]6(C(=C5)[C@](CC6)([NH3+])C(=O)[O-])[H])C(=O)N)[C@@H]([C@@H]4O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]3O)O is major species at pH 7.3. It is also related to or classified as organic anion .
The molecule CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.[Na+] is the sodium salt of cerivastatin. Formerly used to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity. It is an organic sodium salt and a statin (synthetic). It contains a cerivastatin(1-).