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Daidzein-8-c-glucoside

C21H20O9 416.4 g/mol
O H O O H O H H O O O H O O H
Name Daidzein-8-c-glucoside
Alternative name puerarin
Formula C21H20O9
Formula Weight 416.40 g/mol
Molecular Weight 416.40 g/mol
Monoisotopic Mass 416.111000 g/mol
InChI Key HKEAFJYKMMKDOR-VPRICQMDSA-N
IUPAC 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
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
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
Food Berry
Food Source Blueberry
Family Phenolic
Class Flavonoid
Subclass Group Isoflavone
Subclass Isoflavonoid
Metabolite Flavonol metabolite
CASNO 3681-99-0
HMDB HMDB0240265
PubChem 5281807
KEGG C10524
FooDB FDB029976
DrugBank DB12290
ChEBI 8633
BioCyc DAIDZEIN
METLIN 3677.0