Chem
J-GLOBAL ID：200907019160037906   Nikkaji number：J1.212.660C

2,3,4-Trihydroxyphenyl 6-O-benzoyl-β-D-glucopyranoside

2,3,4-トリヒドロキシフェニル6-O-ベンゾイル-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： C19H20O10
Molecular formula furigana： C19-H20-O10
Molecular weight： 408.359
InChI： InChI=1S/C19H20O10/c20-10-6-7-11(14(22)13(10)21)28-19-17(25)16(24)15(23)12(29-19)8-27-18(26)9-4-2-1-3-5-9/h1-7,12,15-17,19-25H,8H2/t12-,15-,16+,17-,19-/m1/s1
InChI key： BDARNTHYXJQYMW-PITHAFQJSA-N
SMILES： O[C@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc2ccc(O)c(O)c2O)[C@@H]1O
Systematic name  (3)：
  • 2,3,4-トリヒドロキシフェニル6-O-ベンゾイル-β-D-グルコピラノシド
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(2,3,4-トリヒドロキシフェノキシ)オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,3,4-trihydroxyphenoxy)oxan-2-yl]methyl benzoate
Other name (1)：
  • 2,3,4-Trihydroxyphenyl 6-O-benzoyl-β-D-glucopyranoside
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