Chem
J-GLOBAL ID：200907008877183913   Nikkaji number：J554.236G

4-O-Galloylquinic acid

4-O-ガロイルキナ酸
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： C14H16O10
Molecular formula furigana： C14-H16-O10
Molecular weight： 344.272
InChI： InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)19)12(20)24-11-8(17)3-14(23,13(21)22)4-9(11)18/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11?,14-/m1/s1
InChI key： OGYBSNRRBNHPNK-YYPOQVMFSA-N
SMILES： O[C@@H]1C[C@](O)(C[C@@H](O)C1OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O
Systematic name  (3)：
  • 1α,3β,5α-トリヒドロキシ-4α-(ガロイルオキシ)シクロヘキサンカルボン酸
  • (3R,5R)-1,3,5-トリヒドロキシ-4-(3,4,5-トリヒドロキシベンゾイルオキシ)シクロヘキサン-1-カルボン酸
  • (3R,5R)-1,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexane-1-carboxylic acid
Other name (3)：
  • 1α,3β,5α-Trihydroxy-4α-(galloyloxy)cyclohexanecarboxylic acid
  • 4-O-ガロイルキナ酸
  • 4-O-Galloylquinic acid
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