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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:31 UTC
Update Date2025-03-21 18:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125877
Frequency20.4
Structure
Chemical FormulaC11H10O6
Molecular Mass238.0477
SMILESO=C(O)C(=O)OC(Cc1ccccc1)C(=O)O
InChI KeyQPWHDLKPDSIDCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • tricarboxylic acids and derivatives
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound