anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Sc1nc2ccccc2s1 Sc1nc2ccccc2s1 is 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. It has the role of metabolite . It has the role of carcinogenic agent .  It is also related to or classified as aryl thiol  . It is also related to or classified as benzothiazoles .
The molecule C[C@H]\\1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C is a cytochalasan alkaloid found in Chaetomium globosum. It has a role as an antineoplastic agent and a Chaetomium metabolite. It is a cytochalasan alkaloid, a member of indoles, a macrocycle and a secondary alpha-hydroxy ketone.
The molecule COc1cc(O)c2C(=O)O[C@H](C)Cc2c1 COc1cc(O)c2C(=O)O[C@H](C)Cc2c1 is an optically active form of 6-methoxymellein having (R)-configuration. Its functional parent is mellein . It is also related to or classified as 6-methoxymellein  .
The molecule [Rh] [Rh] is A cobalt group element atom of atomic number 45. It is also related to or classified as cobalt group element atom .
The molecule O=C1/C(=C\NC=2C(=O)OC(C2)C)/C(/C=C/C=C/CCC)CC=C1 O=C1/C(=C\NC=2C(=O)OC(C2)C)/C(/C=C/C=C/CCC)CC=C1 is Peniamidienone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [Al](O[Si](O[Si](O[Al]=O)=O)=O)=O.O.O [Al](O[Si](O[Si](O[Al]=O)=O)=O)=O.O.O is an aluminosilicate soft white mineral named after the hill in China (Kao-ling) from which it was mined for centuries. In its natural state kaolin is a white, soft powder consisting principally of the mineral kaolinite, and varying amounts of other minerals such as muscovite, quartz, feldspar, and anatase. It is used in the manufacture of china and porcelain and also widely used in the production of paper, rubber, paint, drying agents, and many other products. It has the role of antidiarrhoeal drug . It has the role of excipient . It is also related to or classified as aluminosilicate mineral , mixture .
The molecule OC[C@H]1OC(O)(CO)[C@H](O)[C@H]1O OC[C@H]1OC(O)(CO)[C@H](O)[C@H]1O is the D-stereoisomer of  sorbofuranose. It is also related to or classified as D-sorbose  . It is also related to or classified as sorbofuranose .
The molecule CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\\CC3=CC=CS3)/C(=O)O is a member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure. It has a role as an antihypertensive agent, an angiotensin receptor antagonist, a xenobiotic and an environmental contaminant. It is a dicarboxylic acid, a member of imidazoles and a member of thiophenes.
The molecule CCCCCCCCCCCC=O CCCCCCCCCCCC=O is A long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has the role of plant metabolite . It is also related to or classified as medium-chain fatty aldehyde  . It is also related to or classified as long-chain fatty aldehyde  . It is also related to or classified as 2,3-saturated fatty aldehyde  .
The molecule O([C@H]1[C@H](O)[C@@H](O)C(OC1)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O O([C@H]1[C@H](O)[C@@H](O)C(OC1)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O is A glycosylxylose consisting of beta-D-glucopyranuronic acid and D-xylopyranose residues joined in sequence by a (1->4) glycosidic bond. Its functional parent is beta-D-glucuronic acid . Its functional parent is D-xylopyranose . It is also related to or classified as monocarboxylic acid , glycosylxylose .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O[14C](=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine where the 1-O-acyl group is specified as palmitoyl and the linoleoyl group has (14)C labels at the C-1 position. It has a role as an epitope. It is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine and a (14)C-modified compound.
The molecule [H][Te-][H] [H][Te-][H] is dihydridotellurate(.1-). It is also related to or classified as tellurium hydride , inorganic radical anion .
The molecule FC(F)(F)C(OC)(O)CC(OC)=O FC(F)(F)C(OC)(O)CC(OC)=O is Methyl 4,4,4-trifluoro-3-hydroxy-3-methoxybutanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule OC1C=2C=3C(C(=O)C1O)=C(C=CC3C=CC2)C4=CC(OC)=C(O)C=C4 OC1C=2C=3C(C(=O)C1O)=C(C=CC3C=CC2)C4=CC(OC)=C(O)C=C4 is Musanolone D. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule O([C@H]1[C@H](O)[C@H](O)C(O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@H]1[C@H](O)[C@H](O)C(O[C@@H]1CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is A glycosylmannose consisting of an alpha-D-mannopyranose residue and a D-mannopyranose residue joined in sequence by a (1->4) glycosidic bond. Its functional parent is D-mannose . It is also related to or classified as glycosylmannose .
The molecule O([C@@H]1[C@H](O)[C@@H](O[C@@H](O)[C@H]1O)C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@@H]1[C@H](O)[C@@H](O[C@@H](O)[C@H]1O)C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylfucose that is alpha-L-fucopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranosyl derivative. Its functional parent is beta-D-glucose . Its functional parent is alpha-L-fucose . It is also related to or classified as glycosylfucose .
The molecule O1CCOC2=C1C=CC(=C2)C=O O1CCOC2=C1C=CC(=C2)C=O is A  heteroarenecarbaldehyde in which a formyl group is located at position 6 of 2,3-dihydro-1,4-benzodioxine. It is also related to or classified as heteroarenecarbaldehyde , benzodioxine .
The molecule CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.Cl.Cl is a hydrochloride obtained by combining daclatasvir with two molar equivalents of hydrochloric acid. It is a potent inhibitor of nonstructural protein 5A and is used for treatment of hepatitis C. It has a role as an antiviral drug and a nonstructural protein 5A inhibitor. It contains a daclatasvir(2+).
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3 is N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [OH-].[OH-].[OH-].[OH-].O=[Si]([O-])O[Si](=O)[O-].[Al+3].[Al+3] [OH-].[OH-].[OH-].[OH-].O=[Si]([O-])O[Si](=O)[O-].[Al+3].[Al+3] is an aluminosilicate mineral with approximate chemical composition H2Al2Si2O8.H2O. Rocks that are rich in kaolinite are known as kaolin or china clay. It is also related to or classified as aluminosilicate mineral .
The molecule O=C1C2=C(O)C=CC(=C2[C@@]34O[C@@H](CC[C@]3(C1)C(=O)O)OC4)O O=C1C2=C(O)C=CC(=C2[C@@]34O[C@@H](CC[C@]3(C1)C(=O)O)OC4)O is (-)-cochlearol A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O([C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCC/C=C\C/C=C\CCCCC O([C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCCCCCCCCC)C(=O)CCCCCCC/C=C\C/C=C\CCCCC is A phosphatidylcholine 33:2 in which the 1- and 2-acyl groups are specified as pentadecanoyl and linoleoyl respectively. Its functional parent is linoleic acid . Its functional parent is pentadecanoic acid . It is also related to or classified as phosphatidylcholine 33:2  .
The molecule C1C/C(=C\\C(=O)C(=O)[O-])/[C@@H]2[C@H]([C@@H]1O)O2 is a 2-oxo monocarboxylic acid anion that is the conjugate base of (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid, obtained by deprotonation of the carboxy group. It has a role as a bacterial metabolite. It is a conjugate base of a (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid.
The molecule COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCCN1C COc1ccc(cc1)C(=O)Nc1ccccc1CCC1CCCCN1C is 4-Methoxy-N-phenylbenzamide in which the hydrogen at the 2 position of the phenyl group is substituted by a 2-(1-methylpiperidin-2-yl)ethyl group. A class Ic antiarrhythmic, the hydrochloride was used for the treatment of severe or life-threatening ventricular arrhythmias, but it was associated with increased death rates in patients who had asymptomatic heart rhythm abnormalities after a recent heart attack and was withdrawn from the market. It has the role of anti-arrhythmia drug . It has the role of sodium channel blocker . It is also related to or classified as benzamides , piperidines .
The molecule OC(=O)CC(N)CC OC(=O)CC(N)CC is 3-Aminopentanoic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN(C)CCC1=CNC2=CC=CC=C21 is a tryptamine derivative having two N-methyl substituents on the side-chain. It is a tryptamine alkaloid and a member of tryptamines. It derives from a tryptamine.
The molecule C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\\C(=O)O)\\C(=O)O is a maleate salt resulting form the reaction of equimolar amounts of maleic acid and ergometrine. It is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced. It has a role as an oxytocic and a diagnostic agent. It contains an ergometrine.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO is Symplocoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO is N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C5[C@]2(CC[C@H](O)C5(C)C)[H])[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C5[C@]2(CC[C@H](O)C5(C)C)[H])[H])C is A mogroside that is mogrol in which the hydroxyl hydrogen at position 24 has been replaced by a beta-D-glucosyl residue. It has the role of plant metabolite . Its functional parent is mogrol .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside , monosaccharide derivative .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[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=C(ON=C3C)C)[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-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C(=O)[O-])(C(=O)[O-])[NH3+] is conjugate base of aminomalonic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. It is a dicarboxylic acid anion and an alpha-amino-acid anion. It is a conjugate base of an aminomalonic acid.
The molecule C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO is N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)[C@H](N)C(=O)NCC(O)=O CC(C)[C@H](N)C(=O)NCC(O)=O is A dipeptide formed from L-valine and glycine residues. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-valine . It is also related to or classified as dipeptide  .
The molecule O=C(OC)CC[C@H](CCCCCCCCC(C)C)C O=C(OC)CC[C@H](CCCCCCCCC(C)C)C is methyl 4,13-dimethyltetradecanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C(=C4)C=O)O)O is a member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and 2,4-dihydroxybenzaldehyde moieties at positions 5'', 4'' and 3'' respectively. Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. It has a role as an antioxidant and a plant metabolite. It is a polyphenol, an aromatic ketone and a dihydroxybenzaldehyde.
The molecule C=12[N+]3=C(C=C4N5C(=CC6=[N+]7C(=CC=8N(C(C1)=C(C8CCC([O-])=O)C)[Fe-2]537)C(=C6C)CCC(=O)[O-])C([C@@]4(CC(=O)[O-])C)=O)C([C@@]2(CC([O-])=O)C)=O C=12[N+]3=C(C=C4N5C(=CC6=[N+]7C(=CC=8N(C(C1)=C(C8CCC([O-])=O)C)[Fe-2]537)C(=C6C)CCC(=O)[O-])C([C@@]4(CC(=O)[O-])C)=O)C([C@@]2(CC([O-])=O)C)=O is dihydro-ferroheme d1(4-). It is also related to or classified as tetracarboxylic acid anion , cyclic tetrapyrrole anion .
The molecule OC1=CC2=C3C(OC(=O)C4=C3C(OC2=O)=C(O)C(O)=C4)=C1O OC1=CC2=C3C(OC(=O)C4=C3C(OC2=O)=C(O)C(O)=C4)=C1O is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. It has the role of EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor . It has the role of geroprotector . It has the role of antioxidant . It has the role of EC 5.99.1.2 (DNA topoisomerase) inhibitor . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of EC 1.14.18.1 (tyrosinase) inhibitor . It has the role of food additive . It has the role of EC 2.5.1.18 (glutathione transferase) inhibitor . It has the role of plant metabolite . It has the role of fungal metabolite . It has the role of EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor . It has the role of EC 2.4.1.1 (glycogen phosphorylase) inhibitor . It has the role of EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor . It has the role of EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor . It has the role of EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor . It has the role of skin lightening agent . Its functional parent is gallic acid . It is also related to or classified as lactone  .  It is also related to or classified as catechols  . It is also related to or classified as polyphenol , organic heterotetracyclic compound , cyclic ketone .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O is a deoxygalactose derivative that is beta-D-galactose in which the hydroxy group at position2 has been replaced by an amino group. It has a role as an Escherichia coli metabolite. It is an amino sugar and a deoxygalactose derivative. It derives from a beta-D-galactose.
The molecule O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5OC(=CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5OC(=CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C is 4,5-dihydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1(CC(C(C(C1)=O)C(=O)CC)=O)C(=O)O C1(CC(C(C(C1)=O)C(=O)CC)=O)C(=O)O is A 4-oxo monocarboxylic acid that is cyclohexanecarboxylic acid which is substituted by oxo groups at positions 3 and 5, and by a propanoyl group at position 4. A plant growth regulator, it is used (commonly as the corresponding calcium salt, known as prohexadione-calcium) as an anti-lodging agent in small-grain cereals. It has the role of plant growth regulator . It has the role of agrochemical . It has the role of gibberellin biosynthesis inhibitor . It is a conjugate acid of prohexadione(2-) . It is also related to or classified as beta-triketone , 4-oxo monocarboxylic acid .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C is a triacylglycerol 50:2 in which the acyl groups at positions 1, 2 and 3 are specified as linoleoyl, isoheptadecanoyl and isopentadecanoyl respectively. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a triacyl-sn-glycerol and a triacylglycerol 50:2.
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)C(=O)C4=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)C(=O)C4=CC=CC=C4 is N-[(3S,9S,10R)-9-[[benzoyl(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]-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]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CNC)[C@H](C)CO C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CNC)[C@H](C)CO is N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=O)([C@@H]([NH3+])C(C)C)NCC(=O)[O-] C(=O)([C@@H]([NH3+])C(C)C)NCC(=O)[O-] is A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Val-Gly. It has the role of metabolite . It is also related to or classified as dipeptide zwitterion  .
The molecule C(CC/C=C\\C[C@H](/C=C/C=C/C=C\\[C@H](CCCC(=O)O)O)O)CCO is the 20-hydroxy derivative of leukotriene B4. It has a role as a human metabolite and a mouse metabolite. It derives from a leukotriene B4. It is a conjugate acid of a 20-hydroxy-leukotriene B4(1-).
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)Cl 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)Cl is 4-chloro-N-[[(3R,9S,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]-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
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)C 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)C is N-[[(3S,9R,10R)-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]-N-methylmethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)(C)O is a tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. It has a role as a human xenobiotic metabolite. It derives from a hydride of an isobutane.
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is an anthocyanin cation consisting of pelargonidin having a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue attached at the 3-hydroxy position and a beta-D-glucosyl residue at the 5-hydroxy position. It is a conjugate acid of pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside betaine . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as rutinoside  . It is also related to or classified as anthocyanin cation  . It is also related to or classified as disaccharide derivative .
The molecule C(C/C=C(\C)/CC\C=C(\CCC=C(C)C)/C)/C(/C)=C/CC/C(/C)=C/COC[C@@H](COP(=O)([O-])[O-])O C(C/C=C(\C)/CC\C=C(\CCC=C(C)C)/C)/C(/C)=C/CC/C(/C)=C/COC[C@@H](COP(=O)([O-])[O-])O is A prenylglycerol phosphate that consists of 1-phosphoglycerol having an all-trans-pentaprenyl group attached at position 3; major microspecies at pH 7.3. It is also related to or classified as prenylglycerol phosphate .
The molecule OC1=C(C=CC=C1)C1=NC2=C(S1)C=CC=C2 OC1=C(C=CC=C1)C1=NC2=C(S1)C=CC=C2 is A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2. It has the role of geroprotector . It is also related to or classified as phenols  . It is also related to or classified as benzothiazoles .
The molecule O([C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC O([C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC is A triacyl-sn-glycerol in which the 1-acyl group is tetradecanoyl while the 2- and 3-acyl groups are oleoyl. It has the role of human blood serum metabolite . It is also related to or classified as TG(14:0/18:1/18:1)  . It is also related to or classified as triacyl-sn-glycerol  .
The molecule CC1CCC(CC1=O)C(=C)C is a dihydrocarvone resulting from reduction of the endocyclic cyclohexene double bond. It has a role as a plant metabolite.
The molecule CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1 CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1 is A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties. It has the role of antiatherosclerotic agent . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of cardioprotective agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary amino compound , phenanthridines .
The molecule OC(=O)CC1(Cl)OC(=O)C=C1 OC(=O)CC1(Cl)OC(=O)C=C1 is (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid. It is a conjugate acid of (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate .  It is also related to or classified as organochlorine compound  . It is also related to or classified as 5-oxo-2-furylacetic acid .
The molecule O=C(OC)C=1OC(CO)=CC1 O=C(OC)C=1OC(CO)=CC1 is methyl 5-(hydroxymethyl) furan-2-carboxylate. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule COC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3)O)OC)O is an isoquinoline alkaloid consisting of aa tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3. It is an isoquinoline alkaloid, an isoquinolinol and a member of isoquinolines. It is a conjugate base of a nororientalinium(1+).