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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:03 UTC
Update Date2025-03-21 18:28:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071858
Frequency41.7
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESCOC(=O)C(Cc1ccccc1)C(=O)O
InChI KeyWAJDPZSFXFVORE-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
  • 1,3-dicarbonyl compounds
  • benzene and substituted derivatives
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • organooxygen compound