OntologiesslmclassesCHEBI:8633   
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puerarinImported
http://purl.obolibrary.org/obo/CHEBI_8633

A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4' and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage.

Defined bychebi
Exact Synonyms
(1S)-1,5-anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol
Related Synonyms
(1S)-1,5-anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
8-beta-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
daidzein 8-C-glucoside
kakonein
NPI 031G
class Information
charge

0

formula

C21H20O9

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1

inchikey

HKEAFJYKMMKDOR-VPRICQMDSA-N

in_subset

3_STAR

mass

416.37810

monoisotopicmass

416.11073

smiles

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O

class Relations