1.02010-04-08 22:04:25 UTC2018-05-28 22:34:11 UTCFDB000048p-Coumaroyl vitisin AA polyphenol compound found in foods of plant origin (PhenolExplorer).Malvidin 3-(6-coumaroyl)-glucoside pyruvic acidMalvidin 3-(6-coumaroyl)-glucoside pyruvic adductC35H31O16707.611707.1612099447-carboxy-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium7-carboxy-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium643-84-5COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1OC1O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC(O)=C2InChI=1S/C35H30O16/c1-45-22-9-16(10-23(46-2)28(22)39)32-33(19-13-24(34(43)44)48-20-11-18(37)12-21(49-32)27(19)20)51-35-31(42)30(41)29(40)25(50-35)14-47-26(38)8-5-15-3-6-17(36)7-4-15/h3-13,25,29-31,35,40-42H,14H2,1-2H3,(H3-,36,37,38,39,43,44)/p+1/t25-,29-,30+,31-,35?/m1/s1GOINLVYYMYVHAQ-CJKUAQFFSA-O belongs to the class of organic compounds known as anthocyanidin 3-o-6-p-coumaroyl glycosides. These are anthocyanidin 3-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.Anthocyanidin 3-O-6-p-coumaroyl glycosidesOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosidesAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids3'-O-methylated flavonoids4'-hydroxyflavonoids7-hydroxyflavonoidsAcetalsAlkyl aryl ethersAnisolesAnthocyanidin-3-O-glycosidesAnthocyanidinsBiflavonoids and polyflavonoidsCarbonyl compoundsCarboxylic acidsCinnamic acid estersCoumaric acid estersCoumaric acids and derivativesDicarboxylic acids and derivativesDimethoxybenzenesEnoate estersFatty acid estersFlavonoid-3-O-glycosidesHeteroaromatic compoundsHydrocarbon derivativesMethoxyphenolsMonosaccharidesO-glycosyl compoundsOrganic cationsOrganic oxidesOxacyclic compoundsOxanesPhenoxy compoundsPolyolsProanthocyanidinsSecondary alcoholsStyrenes1-benzopyran1-hydroxy-2-unsubstituted benzenoid3p-methoxyflavonoid-skeleton4'-hydroxyflavonoid7-hydroxyflavonoidAcetalAlcoholAlkyl aryl etherAlpha,beta-unsaturated carboxylic esterAnisoleAnthocyanidinAnthocyanidin 3-o-6-p-coumaroyl-glycosideAnthocyanidin-3-o-glycosideAnthocyaninAromatic heteropolycyclic compoundBenzenoidBenzopyranBi- and polyflavonoid skeletonCarbonyl groupCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterCinnamic acid esterCinnamic acid or derivativesCoumaric acid esterCoumaric acid or derivativesDicarboxylic acid or derivativesDimethoxybenzeneEnoate esterEtherFatty acid esterFatty acylFlavonoid-3-o-glycosideGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxycinnamic acid or derivativesHydroxyflavonoidM-dimethoxybenzeneMethoxybenzeneMethoxyphenolMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic cationOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenol etherPhenoxy compoundPolyolProanthocyanidinSecondary alcoholStyrenelogp3.19logs-4.43solubility2.78e-02 g/llogp3.8pka_strongest_acidic2.11pka_strongest_basic-3.6iupac7-carboxy-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-yliumaverage_mass707.611mono_mass707.161209944smilesCOC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1OC1O[C@H](COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)=CC(O)=C2formulaC35H31O16inchiInChI=1S/C35H30O16/c1-45-22-9-16(10-23(46-2)28(22)39)32-33(19-13-24(34(43)44)48-20-11-18(37)12-21(49-32)27(19)20)51-35-31(42)30(41)29(40)25(50-35)14-47-26(38)8-5-15-3-6-17(36)7-4-15/h3-13,25,29-31,35,40-42H,14H2,1-2H3,(H3-,36,37,38,39,43,44)/p+1/t25-,29-,30+,31-,35?/m1/s1inchikeyGOINLVYYMYVHAQ-CJKUAQFFSA-Opolar_surface_area244.27refractivity183.94polarizability68.47rotatable_bond_count11acceptor_count14donor_count7physiological_charge-1formal_charge1HMDB29239#<Reference:0x00005556755b2a18>