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3-{[6'-(.beta.-D-Glucopyranosyl)oxy-2'-oxo-2H-1-benzopyran-7'-yl]oxy}-7-methoxy-2H-1-benzopyran-2-one
SpectraBase Compound ID 3S3NolGFcwj
InChI InChI=1S/C25H22O12/c1-32-13-4-2-11-7-18(24(31)35-14(11)8-13)33-17-9-15-12(3-5-20(27)34-15)6-16(17)36-25-23(30)22(29)21(28)19(10-26)37-25/h2-9,19,21-23,25-26,28-30H,10H2,1H3/t19-,21-,22+,23-,25-/m1/s1
InChIKey JOEGTKXEFQHTMV-FGBFUVBKSA-N
Mol Weight 514.44 g/mol
Molecular Formula C25H22O12
Exact Mass 514.111126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSomOsN0YDg
Name 3-{[6'-(.beta.-D-Glucopyranosyl)oxy-2'-oxo-2H-1-benzopyran-7'-yl]oxy}-7-methoxy-2H-1-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O12
InChI InChI=1S/C25H22O12/c1-32-13-4-2-11-7-18(24(31)35-14(11)8-13)33-17-9-15-12(3-5-20(27)34-15)6-16(17)36-25-23(30)22(29)21(28)19(10-26)37-25/h2-9,19,21-23,25-26,28-30H,10H2,1H3/t19-,21-,22+,23-,25-/m1/s1
InChIKey JOEGTKXEFQHTMV-FGBFUVBKSA-N
Molecular Weight 514.439 g/mol
SMILES O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(Oc1c(OC=2C(Oc3c(C2)ccc(OC)c3)=O)cc2c(c1)C=CC(=O)O2)[H])[H])(O)[H])[H]
SPLASH splash10-014i-1902000000-5f9dc3630c7a9b9280ca
Source of Spectrum H-84-660-1
Wiley ID 847526