Chem
J-GLOBAL ID：200907016323220216   Nikkaji number：J1.676.732H

3′,4′,5,7-Tetrahydroxy-6-(β-D-glucopyranosyl)isoflavone

3′,4′,5,7-テトラヒドロキシ-6-(β-D-グルコピラノシル)イソフラボン
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： C21H20O11
Molecular formula furigana： C21-H20-O11
Molecular weight： 448.380
InChI： InChI=1S/C21H20O11/c22-5-13-17(27)19(29)20(30)21(32-13)14-11(25)4-12-15(18(14)28)16(26)8(6-31-12)7-1-2-9(23)10(24)3-7/h1-4,6,13,17,19-25,27-30H,5H2/t13-,17-,19+,20-,21+/m1/s1
InChI key： PLNWXFMMLGXLNL-RDZBXBSQSA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2occ(c3ccc(O)c(O)c3)c(=O)c2c1O
Systematic name  (3)：
  • 3′,4′,5,7-テトラヒドロキシ-6-(β-D-グルコピラノシル)イソフラボン
  • 3-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-6-[(2S,3R,4R,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]-4H-クロメン-4-オン
  • 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Other name (1)：
  • 3′,4′,5,7-Tetrahydroxy-6-(β-D-glucopyranosyl)isoflavone
Thsaurus map：
Thesaurus Map

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