Chem
J-GLOBAL ID：200907082545053353   Nikkaji number：J431.521I

(4′-Hydroxyisoflavon-7-yl)6-O-carboxyacetyl-β-D-glucopyranoside

(4′-ヒドロキシイソフラボン-7-イル)6-O-カルボキシアセチル-β-D-グルコピラノシド
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： C24H21O11[O-]
Molecular formula furigana： C24-H21-O12
Molecular weight： 501.421
InChI： InChI=1S/C24H21O12/c25-12-4-1-10(2-5-12)14-8-34-15-7-11(3-6-13(15)18(14)26)17(22(30)31)23(32)35-9-16-19(27)20(28)21(29)24(33)36-16/h1-8,16-17,19-21,24-25,27-29H,9H2,(H,30,31)/q-1/t16-,17?,19-,20+,21-,24-/m1/s1
InChI key： JPRGRCXYYFFWNA-IHBCOKGZSA-N
SMILES： O[C@H]1[C@H]([O-])O[C@H](COC(=O)C(C(=O)O)c2ccc3c(c2)occ(c2ccc(O)cc2)c3=O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (4′-ヒドロキシイソフラボン-7-イル)6-O-カルボキシアセチル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-6-[({2-カルボキシ-2-[3-(4-ヒドロキシフェニル)-4-オキソ-4H-クロメン-7-イル]アセチル}オキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-オラート
  • (2R,3R,4S,5S,6R)-6-[({2-carboxy-2-[3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]acetyl}oxy)methyl]-3,4,5-trihydroxyoxan-2-olate
Other name (1)：
  • (4′-Hydroxyisoflavon-7-yl)6-O-carboxyacetyl-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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