Chem
J-GLOBAL ID：200907013484425099   Nikkaji number：J1.515.669D

2-O-Galloyl-D-galacto-hexaric acid

2-O-ガロイル-D-galacto-ヘキサル酸
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： C13H14O12
Molecular formula furigana： C13-H14-O12
Molecular weight： 362.243
InChI： InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23)/t7-,8+,9+,10-/m1/s1
InChI key： KJWXZHRHCSMFSY-XFWSIPNHSA-N
SMILES： O[C@H]([C@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O)[C@H](O)C(=O)O
Systematic name  (3)：
  • 2-O-ガロイル-D-galacto-ヘキサル酸
  • (2S,3R,4S,5R)-2,3,4-トリヒドロキシ-5-(3,4,5-トリヒドロキシベンゾイルオキシ)ヘキサン二酸
  • (2S,3R,4S,5R)-2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid
Other name (1)：
  • 2-O-Galloyl-D-galacto-hexaric acid
Thsaurus map：
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