Chem
J-GLOBAL ID：200907061851057314   Nikkaji number：J1.515.670H

2-O-Galloyl-D-galacto-hexaric acid 1,4-lactone

2-O-ガロイル-D-galacto-ヘキサル酸1,4-ラクトン
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： C13H12O11
Molecular formula furigana： C13-H12-O11
Molecular weight： 344.228
InChI： InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10-7(17)9(23-13(10)22)8(18)11(19)20/h1-2,7-10,14-18H,(H,19,20)/t7-,8-,9+,10+/m0/s1
InChI key： GGQABIPBZKETPQ-AXTSPUMRSA-N
SMILES： O[C@@H]([C@@H]1OC(=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)C(=O)O
Systematic name  (4)：
  • (αS,2R)-α,3α-ジヒドロキシ-4β-(ガロイルオキシ)-5-オキソテトラヒドロフラン-2β-酢酸
  • 2-O-ガロイル-D-galacto-ヘキサル酸1,4-ラクトン
  • (2S)-2-ヒドロキシ-2-[(2R,3S,4R)-3-ヒドロキシ-5-オキソ-4-(3,4,5-トリヒドロキシベンゾイルオキシ)オキソラン-2-イル]酢酸
  • (2S)-2-hydroxy-2-[(2R,3S,4R)-3-hydroxy-5-oxo-4-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]acetic acid
Other name (2)：
  • (αS,2R)-α,3α-Dihydroxy-4β-(galloyloxy)-5-oxotetrahydrofuran-2β-acetic acid
  • 2-O-Galloyl-D-galacto-hexaric acid 1,4-lactone
Thsaurus map：
Thesaurus Map

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