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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:12 UTC
Update Date2025-03-25 00:56:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218003
Frequency0.5
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESCc1ccc(C(C)C(=O)O)c(C(=O)O)c1
InChI KeyGNVZTEALDJGYLE-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-carboxy-2-haloaromatic compounds
  • aromatic monoterpenoids
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • toluenes
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • p-cymene
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • toluene
  • organooxygen compound
  • aromatic monoterpenoid