Chem
J-GLOBAL ID:200907011215294899   Nikkaji number:J2.746.247B

Isoflavone 7-O-beta-D-glucoside

イソフラボン7-O-β-D-グルコシド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H20O8
Molecular formula furigana: C21-H20-O8
Molecular weight: 400.383
InChI: InChI=1S/C21H20O8/c22-9-16-18(24)19(25)20(26)21(29-16)28-12-6-7-13-15(8-12)27-10-14(17(13)23)11-4-2-1-3-5-11/h1-8,10,16,18-22,24-26H,9H2/t16-,18-,19+,20-,21-/m1/s1
InChI key: CHVBPFQVSIWBOU-QNDFHXLGSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c2ccccc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 7-(β-D-グルコピラノシルオキシ)-3-フェニル-4H-1-ベンゾピラン-4-オン
  • 3-フェニル-7-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4H-クロメン-4-オン
  • 3-phenyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Other name (3):
  • 7-(β-D-Glucopyranosyloxy)-3-phenyl-4H-1-benzopyran-4-one
  • Isoflavone 7-O-beta-D-glucoside
  • イソフラボン7-O-β-D-グルコシド
KEGG COMPOUND: C04074
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