Chem
J-GLOBAL ID：201107022407360747   Nikkaji number：J2.927.161E

4-Carboxyphenyl β-D-glucopyranosiduronic acid

4-カルボキシフェニルβ-D-グルコピラノシドウロン酸
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： C13H14O9
Molecular formula furigana： C13-H14-O9
Molecular weight： 314.246
InChI： InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-5(2-4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
InChI key： DKNOHNCMCYDVLT-CDHFTJPESA-N
SMILES： O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)C(=O)O)O[C@@H]([C@H]1O)C(=O)O
Systematic name  (4)：
  • 1-O-(4-カルボキシフェニル)-β-D-グルコピラヌロン酸
  • 4-カルボキシフェニルβ-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6S)-6-(4-カルボキシフェノキシ)-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (2)：
  • 1-O-(4-Carboxyphenyl)-β-D-glucopyranuronic acid
  • 4-Carboxyphenyl β-D-glucopyranosiduronic acid
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