1.0 2010-04-08 22:04:47 UTC 2025-11-18 22:27:01 UTC FDB000990 Mono-trans-p-coumaroylmesotartaric acid Constituent of spinach leaves (Spinacia oleracea). Mono-trans-p-coumaroylmesotartaric acid is found in green vegetables and spinach. Mono-trans-p-coumaroylmesotartaric acid C13H12O8 296.2296 296.05321736 2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid 2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid 27174-06-7 [H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OC(C(O)C(O)=O)C(O)=O InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+ INYJZRKTYXTZHP-ZZXKWVIFSA-N belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. Coumaric acid esters Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Monosaccharides Organic oxides Secondary alcohols Styrenes Sugar acids and derivatives Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha,beta-unsaturated carboxylic ester Alpha-hydroxy acid Aromatic homomonocyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxy acid Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Phenol Secondary alcohol Styrene Sugar acid Tricarboxylic acid or derivatives logp 1.49 ALOGPS logs -2.54 ALOGPS solubility 8.63e-01 g/l ALOGPS melting_point Mp 198-200° dec. logp 0.9 ChemAxon pka_strongest_acidic 3.15 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid ChemAxon average_mass 296.2296 ChemAxon mono_mass 296.05321736 ChemAxon smiles [H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OC(C(O)C(O)=O)C(O)=O ChemAxon formula C13H12O8 ChemAxon inchi InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+ ChemAxon inchikey INYJZRKTYXTZHP-ZZXKWVIFSA-N ChemAxon polar_surface_area 141.36 ChemAxon refractivity 67.76 ChemAxon polarizability 26.87 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5784 Specdb::MsMs 109485 Specdb::MsMs 109486 Specdb::MsMs 109487 Specdb::MsMs 176934 Specdb::MsMs 176935 Specdb::MsMs 176936 Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562