1.02010-04-08 22:04:40 UTC2020-02-24 19:10:11 UTCFDB0006706''-MalonylgenistinPresent in soy foods. Potential nutriceutical. 6''-Malonylgenistin is found in many foods, some of which are soy bean, soy sauce, white lupine, and miso.6''-MalonylgenistinGenistein 7-O-glucoside 6''-malonateGenistein 7-O-glucoside-6''-malonateC24H22O13518.427518.1060407683-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid51011-05-3OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1OInChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)FRAUJUKWSKMNJY-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.Isoflavonoid O-glycosidesOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsIsoflavonoid O-glycosidesAromatic heteropolycyclic compounds1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAcetalsBenzene and substituted derivativesCarboxylic acid estersCarboxylic acidsChromonesDicarboxylic acids and derivativesHeteroaromatic compoundsHydrocarbon derivativesHydroxyisoflavonoidsIsoflavonesMonosaccharidesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPyranones and derivativesSecondary alcoholsVinylogous acids1,3-dicarbonyl compound1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAcetalAlcoholAromatic heteropolycyclic compoundBenzenoidBenzopyranCarbonyl groupCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterChromoneDicarboxylic acid or derivativesGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeHydroxyisoflavonoidIsoflavoneIsoflavonoid o-glycosideIsoflavonoid-7-o-glycosideMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenolic glycosidePolyolPyranPyranoneSecondary alcoholVinylogous acidlogp1.34logs-2.94solubility5.97e-01 g/lmelting_pointMp 145°logp1.14pka_strongest_acidic3.37pka_strongest_basic-3.6iupac3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acidaverage_mass518.427mono_mass518.106040768smilesOC1C(O)C(COC(=O)CC(O)=O)OC(OC2=CC3=C(C(O)=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)C1OformulaC24H22O13inchiInChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)inchikeyFRAUJUKWSKMNJY-UHFFFAOYSA-Npolar_surface_area209.51refractivity119.32polarizability49.19rotatable_bond_count8acceptor_count12donor_count6physiological_charge-1formal_charge0Specdb::CMs21581Specdb::CMs41434Specdb::MsMs90189Specdb::MsMs90190Specdb::MsMs90191Specdb::MsMs153288Specdb::MsMs153289Specdb::MsMs153290Specdb::MsMs2235780Specdb::MsMs2237618Specdb::MsMs2239648Specdb::MsMs2389585Specdb::MsMs2389586Specdb::MsMs2389587Specdb::MsMs2573573Specdb::MsMs2573574Specdb::MsMs2573575HMDB29529#<Reference:0x0000555673207bb8>MisoType 2specific8.1066678.1066667878.106666787mg/100 gOther soy productType 2specific7.47318434.1666666670.5mg/100 gSoy beanType 1specificGlycine max384722.388977120.3066660560.63499999mg/100 gSoy milkType 2specific9.20568115.6374999282.773861374mg/100 gSoy sauceType 2specific0.00.00.0mg/100 gSoy yogurtType 2specific15.27515.27499961915.274999619mg/100 gTofuType 2specific4.6629369.3258717210.0mg/100 gWhite lupineType 1specificLupinus albus3870YogurtType 2specific15.27515.27499961915.274999619mg/100 gantioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.