Chem
J-GLOBAL ID：200907083056237685   Nikkaji number：J1.280.066E

Glucogallin

グルコガリン
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： C13H16O10
Molecular formula furigana： C13-H16-O10
Molecular weight： 332.261
InChI： InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13?/m1/s1
InChI key： GDVRUDXLQBVIKP-KPCWAIEQSA-N
SMILES： OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 1-O-(3,4,5-トリヒドロキシベンゾイル)-D-グルコピラノース
  • 1-O-ガロイル-D-グルコピラノース
  • (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 3,4,5-トリヒドロキシベンゾアート
  • (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxybenzoate
Other name (4)：
  • 1-O-(3,4,5-Trihydroxybenzoyl)-D-glucopyranose
  • グルコガリン
  • Glucogallin
  • 1-O-Galloyl-D-glucopyranose
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