1.0 2026-09-21 14:00:48 UTC 2026-09-21 14:01:17 UTC FDB116550 Ochratoxin-A (2R)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid (2R)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoic acid C20H18ClNO6 InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10?,15-/m1/s1 RWQKHEORZBHNRI-GENIYJEYSA-N belongs to the class of organic compounds known as ochratoxins and related substances. These are a group of chemically related metabolites containing a 3,4-dihydro-3-methylisocoumarin moiety linked through a carboxyl group to L-beta-phenylalanine by a secondary amine bond. Ochratoxins and related substances Organic compounds Phenylpropanoids and polyketides Ochratoxins and related substances Aromatic heteropolycyclic compounds 2-benzopyrans 3-halobenzoic acids and derivatives Amphetamines and derivatives Aryl chlorides Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Lactones N-acyl-alpha amino acids Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenylalanine and derivatives Phenylpropanoic acids Salicylic acid and derivatives Secondary carboxylic acid amides Vinylogous acids 2-benzopyran 3-halobenzoic acid or derivatives 3-phenylpropanoic-acid Alpha-amino acid or derivatives Amphetamine or derivatives Aromatic heteropolycyclic compound Aryl chloride Aryl halide Benzenoid Benzopyran Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Halobenzoic acid or derivatives Hydrocarbon derivative Isochromane Lactone Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Ochratoxin-skeleton Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenylalanine or derivatives Salicylic acid or derivatives Secondary carboxylic acid amide Vinylogous acid formula C20H18ClNO6 ChemAxon inchi InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10?,15-/m1/s1 ChemAxon inchikey RWQKHEORZBHNRI-GENIYJEYSA-N ChemAxon