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5,4'-Dihydroxyflavone-5-o-.beta.-D-glucopyranoside
SpectraBase Compound ID FyRMKCViFZQ
InChI InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-14-3-1-2-13-17(14)12(24)8-15(28-13)10-4-6-11(23)7-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey DSZDHEUHWSJWKX-QNDFHXLGSA-N
Mol Weight 416.38 g/mol
Molecular Formula C21H20O9
Exact Mass 416.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BjrgqbBztm
Name 5,4'-Dihydroxyflavone-5-o-.beta.-D-glucopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 416.110732215 u
Formula C21H20O9
InChI InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-14-3-1-2-13-17(14)12(24)8-15(28-13)10-4-6-11(23)7-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey DSZDHEUHWSJWKX-QNDFHXLGSA-N
Molecular Weight 416.382 g/mol
SMILES [C@]1(OC=2C=CC=C3C2C(C=C(O3)C2=CC=C(C=C2)O)=O)(O[C@@]([C@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])(CO)[H])[H]