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4H-1-Benzopyran-4-one, 8-.beta.-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-
SpectraBase Compound ID HtNf8fCbXly
InChI InChI=1S/C22H22O11/c1-31-13-4-8(2-3-10(13)24)9-7-32-21-15(17(9)27)11(25)5-12(26)16(21)22-20(30)19(29)18(28)14(6-23)33-22/h2-5,7,14,18-20,22-26,28-30H,6H2,1H3/t14-,18-,19+,20-,22+/m1/s1
InChIKey GSFDOOHGKOHDEL-LWMOOPSISA-N
Mol Weight 462.41 g/mol
Molecular Formula C22H22O11
Exact Mass 462.116212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrXWsw1cXz7
Name 4H-1-Benzopyran-4-one, 8-.beta.-D-glucopyranosyl-5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-
CAS Registry Number 40522-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O11
InChI InChI=1S/C22H22O11/c1-31-13-4-8(2-3-10(13)24)9-7-32-21-15(17(9)27)11(25)5-12(26)16(21)22-20(30)19(29)18(28)14(6-23)33-22/h2-5,7,14,18-20,22-26,28-30H,6H2,1H3/t14-,18-,19+,20-,22+/m1/s1
InChIKey GSFDOOHGKOHDEL-LWMOOPSISA-N
Molecular Weight 462.407 g/mol
SMILES O[C@@]1([C@@](CO)(O[C@]([C@@]([C@]1(O)[H])(O)[H])(c1c2c(C(C(c3cc(OC)c(cc3)O)=CO2)=O)c(cc1O)O)[H])[H])[H]
SPLASH splash10-0006-0119600000-e54cb77a4d6e3ba2de96
Source of Spectrum EP-6840-0-0
Synonyms Dalpanitin
Wiley ID 1390953