1.02010-04-08 22:10:33 UTC2019-11-26 03:08:02 UTCFDB013138trans-p-Coumaroyltartaric acidConstituent of grapes and wines. trans-p-Coumaroyltartaric acid is found in alcoholic beverages, fruits, and common grape.trans-Coutaric acidtrans-p-Coumaroyltartaric acidC14H14O8310.2562310.0688674243-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}pentanedioic acid3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}pentanedioic acid27174-06-7OC(CC(O)=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=OInChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+WZHTXSWUIFRTCQ-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 benzenoidsBeta hydroxy acids and derivativesCarbonyl compoundsCarboxylic acidsCinnamic acid estersCoumaric acids and derivativesEnoate estersFatty acid estersHydrocarbon derivativesMonosaccharidesOrganic oxidesSecondary alcoholsStyrenesTricarboxylic acids and derivatives1-hydroxy-2-unsubstituted benzenoidAlcoholAlpha,beta-unsaturated carboxylic esterAromatic homomonocyclic compoundBenzenoidBeta-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterCinnamic acid esterCoumaric acid esterCoumaric acid or derivativesEnoate esterFatty acid esterFatty acylHydrocarbon derivativeHydroxy acidMonocyclic benzene moietyMonosaccharideOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolSecondary alcoholStyreneTricarboxylic acid or derivativeslogp1.33logs-2.81solubility4.79e-01 g/lmelting_pointMp 194-195° dec.logp0.99pka_strongest_acidic3.15pka_strongest_basic-3.4iupac3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}pentanedioic acidaverage_mass310.2562mono_mass310.068867424smilesOC(CC(O)=O)C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=OformulaC14H14O8inchiInChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+inchikeyWZHTXSWUIFRTCQ-ZZXKWVIFSA-Npolar_surface_area141.36refractivity72.39polarizability28.78rotatable_bond_count8acceptor_count7donor_count4physiological_charge-2formal_charge0Specdb::CMs22945Specdb::CMs41546Specdb::CMs150242Specdb::MsMs77754Specdb::MsMs77755Specdb::MsMs77756Specdb::MsMs137949Specdb::MsMs137950Specdb::MsMs137951Specdb::MsMs2843882Specdb::MsMs2843883Specdb::MsMs2843884Specdb::MsMs2861626Specdb::MsMs2861627Specdb::MsMs2861628HMDB29783#<Reference:0x00005556735e15e0>Alcoholic beveragesUnknowngenericCommon grapeType 1specificVitis vinifera29760FruitsUnknowngenericGrape wineType 2specific0.00.00.0mg/100 g