1.02010-04-08 22:10:33 UTC2019-11-26 03:08:02 UTCFDB0131402-O-Acetyl-trans-coutaric acidConstituent of spinach. 2-O-Acetyl-trans-coutaric acid is found in green vegetables.2-O-Acetyl-3-trans-O-p-coumaroyltartaric acid2-O-Acetyl-trans-coutaric acidC15H14O9338.2663338.0637820462-(acetyloxy)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid2-(acetyloxy)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid106928-35-2CC(=O)OC(C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O)C(O)=OInChI=1S/C15H14O9/c1-8(16)23-12(14(19)20)13(15(21)22)24-11(18)7-4-9-2-5-10(17)6-3-9/h2-7,12-13,17H,1H3,(H,19,20)(H,21,22)/b7-4+AILCSCQIQZTQJR-QPJJXVBHSA-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 derivativesEnoate estersFatty acid estersHydrocarbon derivativesMonosaccharidesOrganic oxidesStyrenesSugar acids and derivativesTetracarboxylic acids and derivatives1-hydroxy-2-unsubstituted benzenoidAlpha,beta-unsaturated carboxylic esterAromatic homomonocyclic compoundBenzenoidCarbonyl groupCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterCinnamic acid esterCoumaric acid esterCoumaric acid or derivativesEnoate esterFatty acid esterFatty acylHydrocarbon derivativeMonocyclic benzene moietyMonosaccharideOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolStyreneSugar acidTetracarboxylic acid or derivativeslogp1.94logs-3.09solubility2.72e-01 g/lmelting_pointMp 194-198° dec.logp1.34pka_strongest_acidic3.15pka_strongest_basic-6iupac2-(acetyloxy)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acidaverage_mass338.2663mono_mass338.063782046smilesCC(=O)OC(C(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O)C(O)=OformulaC15H14O9inchiInChI=1S/C15H14O9/c1-8(16)23-12(14(19)20)13(15(21)22)24-11(18)7-4-9-2-5-10(17)6-3-9/h2-7,12-13,17H,1H3,(H,19,20)(H,21,22)/b7-4+inchikeyAILCSCQIQZTQJR-QPJJXVBHSA-Npolar_surface_area147.43refractivity76.91polarizability31.07rotatable_bond_count9acceptor_count7donor_count3physiological_charge-2formal_charge0Specdb::CMs12115Specdb::CMs43959Specdb::CMs171451Specdb::MsMs110454Specdb::MsMs110455Specdb::MsMs110456Specdb::MsMs2882225Specdb::MsMs2882226Specdb::MsMs2882227Specdb::MsMs55323Specdb::MsMs55324Specdb::MsMs55325Specdb::MsMs2799253Specdb::MsMs2799254Specdb::MsMs2799255HMDB34621#<Reference:0x0000555675fc4470>Green vegetablesUnknowngeneric