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dihydrogenistin

Go to external page http://purl.obolibrary.org/obo/CHEBI_133413

A hydroxyisoflavanone that is dihydrogenistein in which the phenolic hydrogen at position 7 has been replaced by a beta-D-glucosyl residue.

Term info

Label

dihydrogenistin

Synonyms
  • 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C21H22O10

has obo namespace

chebi_ontology

has related synonym

dihydrogenistein 7-O-beta-D-glucopyranoside, dihydrogenistein 7-O-beta-D-glucoside, 5,7,4'-Trihydroxyisoflavanone 7-O-glucoside

id

CHEBI:133413

inchi

InChI=1S/C21H22O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,12,15,18-24,26-28H,7-8H2/t12?,15-,18-,19+,20-,21-/m1/s1

inchikey

HZFUHKPAKUYSOB-KENFSNRMSA-N

mass

434.394

monoisotopicmass

434.12130

smiles

[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC=2C=C(C=3C(C(COC3C2)C4=CC=C(C=C4)O)=O)O