1.02019-10-15 22:59:53 UTC2019-10-15 22:59:54 UTCFDB093673Biochanin a 7-sulfateC16H12O8S364.32364.02528852COC1=CC=C(C=C1)C1=COC2=CC(OS(O)(=O)=O)=CC(O)=C2C1=OInChI=1S/C16H12O8S/c1-22-10-4-2-9(3-5-10)12-8-23-14-7-11(24-25(19,20)21)6-13(17)15(14)16(12)18/h2-8,17H,1H3,(H,19,20,21)XSOANDKYUDOEER-UHFFFAOYSA-N belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.4'-O-methylisoflavonesOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsO-methylated isoflavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAlkyl aryl ethersAnisolesArylsulfatesChromonesHeteroaromatic compoundsHydrocarbon derivativesHydroxyisoflavonoidsIsoflavonesMethoxybenzenesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesSulfuric acid monoestersVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid4p-o-methylisoflavoneAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundArylsulfateBenzenoidBenzopyranChromoneEtherHeteroaromatic compoundHydrocarbon derivativeHydroxyisoflavonoidIsoflavoneMethoxybenzeneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganic sulfuric acid or derivativesOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenol etherPhenoxy compoundPyranPyranoneSulfate-esterSulfuric acid esterSulfuric acid monoesterVinylogous acidaverage_mass364.32mono_mass364.02528852smilesCOC1=CC=C(C=C1)C1=COC2=CC(OS(O)(=O)=O)=CC(O)=C2C1=OformulaC16H12O8SinchiInChI=1S/C16H12O8S/c1-22-10-4-2-9(3-5-10)12-8-23-14-7-11(24-25(19,20)21)6-13(17)15(14)16(12)18/h2-8,17H,1H3,(H,19,20,21)inchikeyXSOANDKYUDOEER-UHFFFAOYSA-NSpecdb::CMs131160Specdb::CMs138894Specdb::MsMs2763307Specdb::MsMs2763308Specdb::MsMs2763309Specdb::MsMs2942212Specdb::MsMs2942213Specdb::MsMs2942214FOBI:030549