Chem
J-GLOBAL ID：201107087346090053   Nikkaji number：J2.927.162C

2-Hydroxy-4-carboxyphenyl β-D-glucopyranosiduronic acid

2-ヒドロキシ-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： C13H14O10
Molecular formula furigana： C13-H14-O10
Molecular weight： 330.245
InChI： InChI=1S/C13H14O10/c14-5-3-4(11(18)19)1-2-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1
InChI key： NLCBCVGRBFNEJE-CDHFTJPESA-N
SMILES： O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2O)C(=O)O)O[C@@H]([C@H]1O)C(=O)O
Systematic name  (4)：
  • 1-O-(2-ヒドロキシ-4-カルボキシフェニル)-β-D-グルコピラヌロン酸
  • 2-ヒドロキシ-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-2-ヒドロキシフェノキシ)-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-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (2)：
  • 1-O-(2-Hydroxy-4-carboxyphenyl)-β-D-glucopyranuronic acid
  • 2-Hydroxy-4-carboxyphenyl β-D-glucopyranosiduronic acid
Thsaurus map：
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