anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](O)CO CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@H](O)CO is A  3-acyl-sn-glycerol where arachidonoyl is the 3-acyl group. It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-arachidonoylglycerol  .
The molecule CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC is a 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as capryl (decanoyl). It is a 1,2-diacyl-sn-glycerol 3-phosphate and a decanoate ester. It is a conjugate acid of a 1,2-dicapryl-sn-glycero-3-phosphate(2-).
The molecule CCCCCCCCCCCCCCCC1=NC(C)CCC1 CCCCCCCCCCCCCCCC1=NC(C)CCC1 is 2-methyl-6-pentadecyl-2,3,4,5-tetrahydropyridine. It has the role of metabolite . It is also related to or classified as tetrahydropyridine .
The molecule S=C=N/C(/C(=O)O[C@H]1[C@@H](O[C@@H]2O[C@H]([C@](O)([C@@H](OC(=O)C)C)[C@H](C2)OC)C)[C@@H](O)[C@H]([C@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C S=C=N/C(/C(=O)O[C@H]1[C@@H](O[C@@H]2O[C@H]([C@](O)([C@@H](OC(=O)C)C)[C@H](C2)OC)C)[C@@H](O)[C@H]([C@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C is Paulomycin D. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCOC1=CC=C(C=C1)NC(=O)C is a member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a 4-ethoxyphenyl group. It has a role as a non-narcotic analgesic, a peripheral nervous system drug and a cyclooxygenase 3 inhibitor. It is a member of acetamides and an aromatic ether. It derives from a N-phenylacetamide, a 4-ethoxyaniline and a paracetamol.
The molecule CCCCCc1cc(O)c(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1 CCCCCc1cc(O)c(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1 is sesquicannabigerol. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule CN(C)N is a member of the class of hydrazines that is hydrazine substituted by two methyl groups at position 1. It has a role as a carcinogenic agent, a teratogenic agent and a fuel. It derives from a hydrazine.
The molecule CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O is a member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite.
The molecule CC(=O)N[C@@H]1[C@@H](O)[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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[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]4NC(C)=O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O CC(=O)N[C@@H]1[C@@H](O)[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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[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]4NC(C)=O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O is N(4)-{N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-[beta-D-xylosyl-(1->2)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl}-L-asparagine.   It is also related to or classified as glucosaminoglycan  . It is also related to or classified as N(4)-glycosyl-L-asparagine , glucosamine oligosaccharide .
The molecule C1(=C(C=C(CCCCC)C=C1O)O)C/C=C(/CCC=C(C)C)\C C1(=C(C=C(CCCCC)C=C1O)O)C/C=C(/CCC=C(C)C)\C is A member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species. It has the role of antioxidant . It has the role of antibacterial agent . It has the role of appetite enhancer . It has the role of neuroprotective agent . It has the role of cannabinoid receptor agonist . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as resorcinols , phytocannabinoid .
The molecule CN(C)CC(=O)N1[C@@H]([C@@H](C12CN(C2)CCC(F)(F)F)C3=CC=CC=C3)CO CN(C)CC(=O)N1[C@@H]([C@@H](C12CN(C2)CCC(F)(F)F)C3=CC=CC=C3)CO is 2-(dimethylamino)-1-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=C(C=C(C(=C1O)O)Br)Br is a member of the class of catechols carrying two bromo substituents at positions 3 and 5. It has a role as an algal metabolite, a marine xenobiotic metabolite, a mouse metabolite and a bacterial xenobiotic metabolite. It is a member of catechols and a dibromobenzene.
The molecule O=C1N([C@H]2C(=O)N[C@@H]1C[C@@]34C5=C(O[C@@H]3N(C(=O)C)C6=C4C=CC=C6)C=CC(C2)=C5)C O=C1N([C@H]2C(=O)N[C@@H]1C[C@@]34C5=C(O[C@@H]3N(C(=O)C)C6=C4C=CC=C6)C=CC(C2)=C5)C is (+)-azonazine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Oc1ccc(cc1O)-c1coc2ccccc2c1=O Oc1ccc(cc1O)-c1coc2ccccc2c1=O is A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 3' and 4'. It has been isolated from Penicillium purpurogenum. It has the role of Penicillium metabolite . Its functional parent is isoflavone . It is also related to or classified as hydroxyisoflavone .
The molecule C1CNC(=O)/C(=N/O)/CC2=CC(=C(C(=C2)Br)OC3=C(C(=CC(=C3)C/C(=N\\O)/C(=O)NCCC4=C(C(=C(C=C4)Br)OC5=C(C(=C1C=C5)Br)O)Br)Br)O)Br is a cyclic ether, a ketoxime, a lactam, a macrocycle, an organobromine compound and a polyphenol. It has a role as a metabolite and a calcium channel modulator.
The molecule CC(CC=1C=C2CCC3=C(C2=C(C1C(=O)O)O)C(=C4C(C=5C=CC=C(C5OC4=C3O)O[C@]6([C@]([C@]([H])(C(=C(C(=O)O)O6)O)O)([H])O)[H])=O)O)=O CC(CC=1C=C2CCC3=C(C2=C(C1C(=O)O)O)C(=C4C(C=5C=CC=C(C5OC4=C3O)O[C@]6([C@]([C@]([H])(C(=C(C(=O)O)O6)O)O)([H])O)[H])=O)O)=O is chrexanthomycin C. It has the role of radical scavenger . It is also related to or classified as organic molecular entity .
The molecule OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(C=O)c1 OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(C=O)c1 is A member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 3, a hydroxy group at position 5 and a 2,6-dihydroxybenzoyl group at position 4. Isolated from Penicillium purpurogenum, it exhibits antiviral activity. It has the role of antiviral agent . It has the role of EC 1.14.14.14 (aromatase) inhibitor . It has the role of Penicillium metabolite . It is also related to or classified as benzaldehydes , benzoic acids , benzophenones , resorcinols .
The molecule CC=CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)NC4=CC=C(C=C4)OC CC=CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)NC4=CC=C(C=C4)OC is LSM-38059. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCOC(=O)/C=C/C=C/C is a fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol. It has a role as a metabolite. It derives from a sorbic acid.
The molecule CC1=C(O)C(=O)c2cc(O)c(O)cc2C1=O CC1=C(O)C(=O)c2cc(O)c(O)cc2C1=O is A  naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from Penicillium purpurogenum. It has the role of Penicillium metabolite .  It is also related to or classified as phenols  . It is also related to or classified as hydroxy-1,4-naphthoquinone .
The molecule CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N is a dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-leucine. It derives from a L-glutamine and a L-leucine.
The molecule C(/C(=C/C(=O)[O-])/C(=O)[O-])C(=O)[O-] is an aconitate(3-) that is the conjugate base of cis-aconitic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a cis-aconitic acid.
The molecule CC\C=C1/OC(=O)c2c1cc(O)c(O)c2C CC\C=C1/OC(=O)c2c1cc(O)c(O)c2C is A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methyl group at position 7 and a propylidene group at position 3. It has been isolated from Penicillium purpurogenum. It has the role of metabolite . It has the role of Penicillium metabolite . It is also related to or classified as catechols  . It is also related to or classified as gamma-lactone  . It is also related to or classified as 2-benzofurans .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC is a phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are docosanoyl and hexadecanoyl respectively. It derives from a docosanoic acid and a hexadecanoic acid.
The molecule O=C1N2C(N=C3[C@]1(O)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)[C@H](CC)C O=C1N2C(N=C3[C@]1(O)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)[C@H](CC)C is Oxepinamide E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCC[C@]1(OC)OC(=O)c2c1cc(O)c(O)c2C CCC[C@]1(OC)OC(=O)c2c1cc(O)c(O)c2C is A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one substituted by hydroxy groups at positions 5 and 6, a methoxy group at position 3, a methyl group at position 7 and a propyl group at position 3. It has been isolated from Penicillium purpurogenum. It has the role of antiviral agent . It has the role of metabolite . It has the role of Penicillium metabolite . It is also related to or classified as ether  . It is also related to or classified as catechols  . It is also related to or classified as gamma-lactone  . It is also related to or classified as 2-benzofurans .
The molecule CC(C)=CCC\C(C)=C\C(=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 CC(C)=CCC\C(C)=C\C(=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 tetraanion of geranoyl-CoA arising from deprotonation of phosphate and diphosphate functions. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC/C=C\\C[C@H]([C@H](C=CC=CC=CC/C=C\\C/C=C\\CCC(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O is a docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 16S via a sulfide linkage. An intermediate of specialised proresolving mediators. It has a role as a human xenobiotic metabolite and a specialised pro-resolving mediator. It is a docosanoid, an organic sulfide, a secondary alcohol, a tricarboxylic acid and a glutathione conjugate. It is a conjugate acid of a 16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2-).
The molecule C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)CO1 C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)CO1 is an azaphilone that is 1H-isochromene-6,8(7H,8aH)-dione substituted by a prop-1-en-1-yl group at position 3, a hydroxy group at position 8a, a methyl group at position 7 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium purpurogenum. It has the role of Penicillium metabolite . Its functional parent is o-orsellinic acid . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as polyketide  .    It is also related to or classified as enone  . It is also related to or classified as benzoate ester , isochromenes , azaphilone .
The molecule C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)COC(=O)C(=O)O)C is a sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydro-8-deoxylactucin. Found in chicory. It has a role as a plant metabolite. It is an azulenofuran, a cyclic terpene ketone, an enone, an oxo monocarboxylic acid and a sesquiterpene lactone. It derives from an oxalic acid.
The molecule C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=C[C@@H](CC[C@@]4([C@H]3CC[C@]12C)C)NC(=O)N is a member of the class of ureas that is urea substituted by a (3beta,22E)-ergosta-4,6,8(14),22-tetraen-3-yl group at position 1. Isolated from the fruit bodies of the fungus Chlorophyllum molybdites, it exhibits cytotoxicity against Kato III cells. It has a role as a fungal metabolite. It is an ergostanoid and a member of ureas.
The molecule C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(O)cc(O)c(O)c3C)C(=O)[C@@]2(O)[C@@H](O)O1 C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(O)cc(O)c(O)c3C)C(=O)[C@@]2(O)[C@@H](O)O1 is an azaphilone that is 1H-isochromene-6,8(7H,8aH)-dione substituted by a prop-1-en-1-yl group at position 3, hydroxy groups at positions 1 and 8a, a methyl group at position 7 and a (3,4,6-trihydroxy-2-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium purpurogenum. It has the role of antiviral agent . It has the role of Penicillium metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as polyketide  .    It is also related to or classified as enone  . It is also related to or classified as benzoate ester , isochromenes , azaphilone .
The molecule C1=C[C@@H]([C@@H](C(=C1)CCC(=O)O)O)O is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid. It is a conjugate acid of a 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate. It is an enantiomer of a 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid.
The molecule C[C@@H]1[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC(=O)C1=C)[O-])(C)O)C is a pyrrolizine alkaloid that is produced by a hybrid species of Jacobaea. It has a role as a Jacobaea metabolite. It is a pyrrolizine alkaloid, a tertiary amine oxide, a tertiary alcohol, a macrocyclic lactone, an olefinic compound and an organic heterotricyclic compound. It derives from a Senecivernine.
The molecule C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)[C@@H](O)O1 C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)[C@@H](O)O1 is an  azaphilone that is 1H-isochromene-6,8(7H,8aH)-dione substituted by a prop-1-en-1-yl group at position 3, hydroxy groups at positions 1 and 8a, a methyl group at position 7 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium purpurogenum. It has the role of Penicillium metabolite . Its functional parent is o-orsellinic acid . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as polyketide  .    It is also related to or classified as enone  . It is also related to or classified as benzoate ester , isochromenes , azaphilone .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=CC=C5)O)CO)O)O)O)O)O is a flavanone glycoside that is pinocembrin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a flavanone glycoside, a monohydroxyflavanone, a neohesperidoside, a disaccharide derivative and a (2S)-flavan-4-one. It derives from a pinocembrin.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4 is N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1Cc2cc(CO)c(CCO)c(C)c2C1=O C[C@@H]1Cc2cc(CO)c(CCO)c(C)c2C1=O is (2R)-pterosin P. It has the role of metabolite . It is also related to or classified as indanones .
The molecule S([C@]1(N(C(=O)[C@@H](SC)NC1=O)C)C)C S([C@]1(N(C(=O)[C@@H](SC)NC1=O)C)C)C is Lasiodipline B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)N1[C@H]([C@H](C12CN(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)CO CC(=O)N1[C@H]([C@H](C12CN(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)CO is 1-[(2R,3R)-6-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=CC(=C(C(=C1)[O-])C(=O)C2=C(C=C(C=C2OC)O)C(=O)OC)O is a phenolate anion that is the conjugate base of sulochrin, obtained by deprotonation of one of the phenolic hydroxy groups; major species at pH 7.3. It is a conjugate base of a sulochrin.
The molecule CC(C)C1=CN2C(=N1)N(C)C(=O)C1=C2N(C)C=N1 CC(C)C1=CN2C(=N1)N(C)C(=O)C1=C2N(C)C=N1 is an imidazopurine that is 4,5-dihydro-1H-imidazo[2,1-b]purine substituted by methyl, oxo, methyl, and isopropyl groups at positions 1, 4, 5, and 7, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01. It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as alkaloid  . It is also related to or classified as imidazopurine .
The molecule C[C@H]1[C@H](O)c2cc(C)c(CCO)c(C)c2C1=O C[C@H]1[C@H](O)c2cc(C)c(CCO)c(C)c2C1=O is (2S,3S)-pterosin C. It has the role of metabolite . It is also related to or classified as indanones .
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC([O-])=O CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of glutaryl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It has the role of human metabolite . It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-)  . It is also related to or classified as omega-carboxyacyl-CoA(5-)  .
The molecule CC(=CCC1=C2C(=CC(=C1OC)O)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)OC)C is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 8, methoxy groups at positions 3 and 9 and a prenyl group at position 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a melanin synthesis inhibitor and a plant metabolite. It is an aromatic ether, a member of phenols and a member of pterocarpans.
The molecule C[C@H]1[C@H](O)c2cc(C)c(CCOS(O)(=O)=O)c(C)c2C1=O C[C@H]1[C@H](O)c2cc(C)c(CCOS(O)(=O)=O)c(C)c2C1=O is (2S,3S)-sulfated pterosin C. It has the role of metabolite . It is also related to or classified as indanones .
The molecule CCC(=O)N(C)C[C@H]1[C@@H]([C@H](N1C(=O)CC2=CC=NC=C2)CO)C3=CC=CC=C3 CCC(=O)N(C)C[C@H]1[C@@H]([C@H](N1C(=O)CC2=CC=NC=C2)CO)C3=CC=CC=C3 is N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylpropanamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=C(C(=CC=C1)C)NC(=O)CN is a amino acid amide with 2,6-dimethylaniline and glycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function. It has a role as a drug metabolite.
The molecule C[C@@H]1[C@H](O)c2cc(C)c(CCOS(O)(=O)=O)c(C)c2C1=O C[C@@H]1[C@H](O)c2cc(C)c(CCOS(O)(=O)=O)c(C)c2C1=O is (2R,3S)-sulfated pterosin C, (+)-. It has the role of metabolite . It is also related to or classified as indanones .
The molecule C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O is a tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer). It has a role as a coenzyme, a diagnostic agent, a human metabolite and a cofactor.
The molecule CC(=O)O[C@@H](C\C(C)=C\CCc1ccoc1)\C=C(/C)CC[C@@H](OC(C)=O)[C@]1(C)CCC(=O)O1 CC(=O)O[C@@H](C\C(C)=C\CCc1ccoc1)\C=C(/C)CC[C@@H](OC(C)=O)[C@]1(C)CCC(=O)O1 is irciformonin F. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule [H][C@]12C[C@](O)(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])C(C)=C [H][C@]12C[C@](O)(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])C(C)=C is A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus. It has the role of plant metabolite . It is also related to or classified as tertiary allylic alcohol  . It is also related to or classified as sesquiterpenoid , triol , carbotricyclic compound .
The molecule [NH3+]C(CO)(CO)CO [NH3+]C(CO)(CO)CO is Htris. It has the role of buffer . It is a conjugate acid of tris . It is also related to or classified as triol .
The molecule C1=CC(=CC=C1C[C@@H](C(=O)O)N)Cl is a non-proteinogenic L-alpha-amino acid that is L-phenylalanine in which the meta-hydrogen of the phenyl group has been replaced by a chlorine. It is a chloroamino acid, a non-proteinogenic L-alpha-amino acid, a member of monochlorobenzenes and a L-phenylalanine derivative.
The molecule CC(=O)O[C@@H](C\C(C)=C\CCc1ccoc1)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1 CC(=O)O[C@@H](C\C(C)=C\CCc1ccoc1)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1 is 10-acetylirciformonin B. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4 is N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1[C@@H]([NH+]2C[C@@H](N1C)CC23CCC(=O)CC3)CC=4C=CC(=CC4)OC C1[C@@H]([NH+]2C[C@@H](N1C)CC23CCC(=O)CC3)CC=4C=CC(=CC4)OC is major species at pH 7.3. It is also related to or classified as tertiary ammonium ion  .
The molecule CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)C(COP(=O)(O)O)N)O)O)O)O)N is an aminoglycoside phosphate, an ortho ester and a hygromycin. It is a conjugate base of a 7''-O-phosphohygromycin B(1+).
The molecule [H][C@]12C[C@]([H])(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])[C@@H](C)CO [H][C@]12C[C@]([H])(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])[C@@H](C)CO is A norsesquiterpenoid with formula C14H24O3. It is isolated from Anisodus tanguticus. It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as sesquiterpenoid , triol , carbotricyclic compound .
The molecule CC(=O)O[C@H](CC\C(C)=C\[C@@H](O)C\C(C)=C\CCc1ccoc1)[C@]1(C)CCC(=O)O1 CC(=O)O[C@H](CC\C(C)=C\[C@@H](O)C\C(C)=C\CCc1ccoc1)[C@]1(C)CCC(=O)O1 is 15-acetylirciformonin B. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CC(=O)NCCCCCC[NH3+].[Cl-] is the organoammonium salt formed from equimolar amounts of N(6)-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexanoic acid (Butaz) and hydrogen chloride. It is a member of pyrazolidines and an organoammonium salt.
The molecule COC1=C(C=CC(=C1)[C@@H]2[C@H]3COC(=O)[C@H]3CO2)O is a lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one carrying a 4-hydroxy-3-methoxyphenyl substituent at position 4. It has a role as a plant metabolite. It is a lignan, a gamma-lactone, a furofuran and a member of guaiacols.