1.02010-04-08 22:04:30 UTC2019-11-26 02:54:37 UTCFDB000290p-Coumaroyl glycolic acidP-coumaroyl glycolic acid 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. P-coumaroyl glycolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). P-coumaroyl glycolic acid can be found in lentils, which makes P-coumaroyl glycolic acid a potential biomarker for the consumption of this food product. C11H10O5222.1941222.052823432-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}acetic acid{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}acetic acidOC(=O)COC(=O)\C=C\C1=CC=C(O)C=C1InChI=1S/C11H10O5/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6,12H,7H2,(H,13,14)/b6-3+RMPWEBYRPJQKNT-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 estersOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesHydroxycinnamic acids and derivativesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsCarbonyl compoundsCarboxylic acidsCinnamic acid estersCoumaric acids and derivativesDicarboxylic acids and derivativesEnoate estersFatty acid estersHydrocarbon derivativesOrganic oxidesStyrenes1-hydroxy-2-unsubstituted benzenoidAlpha,beta-unsaturated carboxylic esterAromatic homomonocyclic compoundBenzenoidCarbonyl groupCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterCinnamic acid esterCoumaric acid esterCoumaric acid or derivativesDicarboxylic acid or derivativesEnoate esterFatty acid esterFatty acylHydrocarbon derivativeMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolStyrenelogp2.43logs-2.78solubility3.71e-01 g/llogp1.69pka_strongest_acidic3.52pka_strongest_basic-6iupac2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}acetic acidaverage_mass222.1941mono_mass222.05282343smilesOC(=O)COC(=O)\C=C\C1=CC=C(O)C=C1formulaC11H10O5inchiInChI=1S/C11H10O5/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6,12H,7H2,(H,13,14)/b6-3+inchikeyRMPWEBYRPJQKNT-ZZXKWVIFSA-Npolar_surface_area83.83refractivity55.89polarizability21.58rotatable_bond_count5acceptor_count4donor_count2physiological_charge-1formal_charge0Specdb::CMs5708Specdb::MsMs44388Specdb::MsMs44389Specdb::MsMs44390Specdb::MsMs136830Specdb::MsMs136831Specdb::MsMs136832Specdb::MsMs3596971Specdb::MsMs3596972Specdb::MsMs3596973Specdb::MsMs3596974Specdb::MsMs3596975Specdb::MsMs3596976LentilsType 1genericLens culinaris38640.2418750.2879999880.195750004mg/100 g