Chem
J-GLOBAL ID：200907061135875804   Nikkaji number：J1.515.668F

2-O-Galloyl-D-galacto-hexaric acid 1-methyl ester

2-O-ガロイル-D-galacto-ヘキサル酸1-メチル
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： C14H16O12
Molecular formula furigana： C14-H16-O12
Molecular weight： 376.270
InChI： InChI=1S/C14H16O12/c1-25-14(24)11(9(19)8(18)10(20)12(21)22)26-13(23)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-20H,1H3,(H,21,22)/t8-,9+,10+,11-/m1/s1
InChI key： XDMSDABSDRMKOO-VPOLOUISSA-N
SMILES： COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O
Systematic name  (3)：
  • 2-O-ガロイル-D-galacto-ヘキサル酸1-メチル
  • (2S,3R,4S,5R)-2,3,4-トリヒドロキシ-6-メトキシ-6-オキソ-5-(3,4,5-トリヒドロキシベンゾイルオキシ)ヘキサン酸
  • (2S,3R,4S,5R)-2,3,4-trihydroxy-6-methoxy-6-oxo-5-(3,4,5-trihydroxybenzoyloxy)hexanoic acid
Other name (1)：
  • 2-O-Galloyl-D-galacto-hexaric acid 1-methyl ester
Thsaurus map：
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