Chem
J-GLOBAL ID：200907007610987596   Nikkaji number：J489.512F

3-O-galloylshikimic acid

3-O-ガロイルシキミ酸
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： C14H14O9
Molecular formula furigana： C14-H14-O9
Molecular weight： 326.257
InChI： InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h2-4,9-10,12,15-19H,1H2,(H,20,21)/t9-,10-,12+/m1/s1
InChI key： CFCRCJAHPCJZLP-FOGDFJRCSA-N
SMILES： O[C@@H]1CC(=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)C(=O)O
Systematic name  (5)：
  • 4β,5α-ジヒドロキシ-3β-(ガロイルオキシ)-1-シクロヘキセン-1-カルボン酸
  • (3R)-3β-[(3,4,5-トリヒドロキシベンゾイル)オキシ]-4β,5α-ジヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3R,4S,5R)-4,5-ジヒドロキシ-3-[(3,4,5-トリヒドロキシベンゾイル)オキシ]-1-シクロヘキセン-1-カルボン酸
  • (3R,4S,5R)-4,5-ジヒドロキシ-3-(3,4,5-トリヒドロキシベンゾイルオキシ)シクロヘキサ-1-エン-1-カルボン酸
  • (3R,4S,5R)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
Other name (5)：
  • 4β,5α-Dihydroxy-3β-(galloyloxy)-1-cyclohexene-1-carboxylic acid
  • (3R)-3β-[(3,4,5-Trihydroxybenzoyl)oxy]-4β,5α-dihydroxy-1-cyclohexene-1-carboxylic acid
  • 3-O-ガロイルシキミ酸
  • 3-O-galloylshikimic acid
  • (3R,4S,5R)-4,5-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-1-cyclohexene-1-carboxylic acid
Thsaurus map：
Thesaurus Map

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