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4H-1-Benzopyran-4-one, 8-(.beta.-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
SpectraBase Compound ID 9IFWlKXAxT2
InChI InChI=1S/C22H22O12/c1-31-14-4-8(2-3-9(14)24)13-6-11(26)16-10(25)5-12(27)20(21(16)32-13)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3/t15-,17-,18+,19-,22+/m1/s1
InChIKey RTRPDMVGOFRVOY-LNBCOLIQSA-N
Mol Weight 478.41 g/mol
Molecular Formula C22H22O12
Exact Mass 478.111126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dTq2LjFpGf
Name 4H-1-Benzopyran-4-one, 8-(.beta.-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
Alternate Name(s) 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-8-yl .beta.-D-glucopyranoside Flavone 4',5,7-oh,3'-ome,8-cgl
CAS Registry Number 57396-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O12
InChI InChI=1S/C22H22O12/c1-31-14-4-8(2-3-9(14)24)13-6-11(26)16-10(25)5-12(27)20(21(16)32-13)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3/t15-,17-,18+,19-,22+/m1/s1
InChIKey RTRPDMVGOFRVOY-LNBCOLIQSA-N
Molecular Weight 478.406 g/mol
SMILES Oc1c(cc(C2=CC(c3c(c(O[C@]4([C@@]([C@]([C@@]([C@](O4)(CO)[H])(O)[H])(O)[H])(O)[H])[H])c(cc3O)O)O2)=O)cc1)OC
SPLASH splash10-03dl-9216000000-a196fa235818b1a70b30
Source of Spectrum EP-8781-0-0
Wiley ID 1394653