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5,6',7-Trihydroxy-3',4'-methylenedioxyisoflavone 6'-O-.beta.,D-glycoside
SpectraBase Compound ID IsN7kxlJqsf
InChI InChI=1S/C22H20O12/c23-5-16-19(27)20(28)21(29)22(34-16)33-12-4-14-13(31-7-32-14)3-9(12)10-6-30-15-2-8(24)1-11(25)17(15)18(10)26/h1-4,6,16,19-25,27-29H,5,7H2/t16-,19-,20-,21-,22-/m1/s1
InChIKey FCFBJQBJZCHUOL-YCDQRNBNSA-N
Mol Weight 476.39 g/mol
Molecular Formula C22H20O12
Exact Mass 476.095476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Yy0V25UtKn
Name 5,6',7-Trihydroxy-3',4'-methylenedioxyisoflavone 6'-O-.beta.,D-glycoside
Comments Less than 3 mono-isotopic peaks
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Formula C22H20O12
InChI InChI=1S/C22H20O12/c23-5-16-19(27)20(28)21(29)22(34-16)33-12-4-14-13(31-7-32-14)3-9(12)10-6-30-15-2-8(24)1-11(25)17(15)18(10)26/h1-4,6,16,19-25,27-29H,5,7H2/t16-,19-,20-,21-,22-/m1/s1
InChIKey FCFBJQBJZCHUOL-YCDQRNBNSA-N
Molecular Weight 476.390 g/mol
SMILES Oc1cc(c2C(C(c3c(O[C@]4([C@@]([C@@]([C@@]([C@@](CO)(O4)[H])(O)[H])(O)[H])(O)[H])[H])cc4c(c3)OCO4)=COc2c1)=O)O
SPLASH splash10-03di-0009000000-6dd551927bc589fbeb53
Source of Spectrum QC-25-148-1
Wiley ID 1584293