1.02010-04-08 22:10:33 UTC2019-11-26 03:08:02 UTCFDB013139cis-Coutaric acidConstituent of grapes and wines. cis-Coutaric acid is found in alcoholic beverages, fruits, and common grape.cis-Coutaric acidcis-p-Coumaroyltartaric acidC13H12O8296.2296296.053217362-hydroxy-3-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid2-hydroxy-3-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid67920-37-0OC(C(OC(=O)\C=C/C1=CC=C(O)C=C1)C(O)=O)C(O)=OInChI=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-UTCJRWHESA-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 benzenoidsAlpha hydroxy acids and derivativesBeta hydroxy acids and derivativesCarbonyl compoundsCarboxylic acidsCinnamic acid estersCoumaric acids and derivativesEnoate estersFatty acid estersHydrocarbon derivativesMonosaccharidesOrganic oxidesSecondary alcoholsStyrenesSugar acids and derivativesTricarboxylic acids and derivatives1-hydroxy-2-unsubstituted benzenoidAlcoholAlpha,beta-unsaturated carboxylic esterAlpha-hydroxy acidAromatic 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 alcoholStyreneSugar acidTricarboxylic acid or derivativeslogp1.49logs-2.54solubility8.63e-01 g/llogp0.9pka_strongest_acidic3.15pka_strongest_basic-4.3iupac2-hydroxy-3-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acidaverage_mass296.2296mono_mass296.05321736smilesOC(C(OC(=O)\C=C/C1=CC=C(O)C=C1)C(O)=O)C(O)=OformulaC13H12O8inchiInChI=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-inchikeyINYJZRKTYXTZHP-UTCJRWHESA-Npolar_surface_area141.36refractivity67.76polarizability26.85rotatable_bond_count7acceptor_count7donor_count4physiological_charge-2formal_charge0Specdb::CMs20497Specdb::CMs43958Specdb::CMs172267Specdb::MsMs170307Specdb::MsMs170308Specdb::MsMs170309Specdb::MsMs2633321Specdb::MsMs2633322Specdb::MsMs2633323Specdb::MsMs104106Specdb::MsMs104107Specdb::MsMs104108Specdb::MsMs2333183Specdb::MsMs2333184Specdb::MsMs2333185HMDB34620#<Reference:0x00005556763b9d28>Alcoholic beveragesUnknowngenericCommon grapeType 1specificVitis vinifera29760FruitsUnknowngenericWhite wineType 29.99.99.9mg/100 g