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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:26 UTC
Update Date2025-03-21 18:37:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113800
Frequency23.2
Structure
Chemical FormulaC14H16O6
Molecular Mass280.0947
SMILESCC(Cc1ccc(C(CC(=O)O)C(=O)O)cc1)C(=O)O
InChI KeyDSNQMLYHOIGRDC-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
  • aromatic monoterpenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • tricarboxylic acids and derivatives
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • tricarboxylic acid or derivatives
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid