1.0 2010-04-08 22:15:10 UTC 2025-11-19 02:33:02 UTC FDB020639 D-Malic acid p-coumarate D-malic acid p-coumarate is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. D-malic acid p-coumarate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). D-malic acid p-coumarate can be found in lentils, which makes D-malic acid p-coumarate a potential biomarker for the consumption of this food product. D-Malic acid p-coumarate p-Coumaroyl-D-malic acid p-Coumaroylmalic acid C13H12O7 280.2302 280.058302738 2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid 2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid 149197-99-9 OC(=O)CC(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O InChI=1S/C13H12O7/c14-9-4-1-8(2-5-9)3-6-12(17)20-10(13(18)19)7-11(15)16/h1-6,10,14H,7H2,(H,15,16)(H,18,19)/b6-3+ QVPHNABUSKBIMG-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 Carbonyl compounds Carboxylic acids Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Organic oxides Styrenes Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid 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 Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene Tricarboxylic acid or derivatives logp 1.64 ALOGPS logs -3.29 ALOGPS solubility 1.42e-01 g/l ALOGPS logp 1.62 ChemAxon pka_strongest_acidic 3.33 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid ChemAxon average_mass 280.2302 ChemAxon mono_mass 280.058302738 ChemAxon smiles OC(=O)CC(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O ChemAxon formula C13H12O7 ChemAxon inchi InChI=1S/C13H12O7/c14-9-4-1-8(2-5-9)3-6-12(17)20-10(13(18)19)7-11(15)16/h1-6,10,14H,7H2,(H,15,16)(H,18,19)/b6-3+ ChemAxon inchikey QVPHNABUSKBIMG-ZZXKWVIFSA-N ChemAxon polar_surface_area 121.13 ChemAxon refractivity 66.42 ChemAxon polarizability 25.89 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5793 Specdb::MsMs 240601 Specdb::MsMs 240602 Specdb::MsMs 240603 Specdb::MsMs 242656 Specdb::MsMs 242657 Specdb::MsMs 242658 Specdb::MsMs 3606565 Specdb::MsMs 3606566 Specdb::MsMs 3606567 Specdb::MsMs 3606568 Specdb::MsMs 3606569 Specdb::MsMs 3606570 Lentils Type 1 generic Lens culinaris 3864 0.737375 1.001999974 0.472749995 mg/100 g Pear Type 1 specific Pyrus communis 23211