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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:46 UTC
Update Date2025-03-25 00:51:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189386
Frequency0.5
Structure
Chemical FormulaC16H20O5
Molecular Mass292.1311
SMILESCC(CC(=O)C(C)c1ccc(C(C)C(=O)O)cc1)C(=O)O
InChI KeyXXWUJGRQEALOCM-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
  • benzene and substituted derivatives
  • carbocyclic fatty acids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyls
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • medium-chain keto acids and derivatives
  • methyl-branched fatty acids
  • monocyclic monoterpenoids
  • organic oxides
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • p-cymene
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • 2-phenylpropanoic-acid
  • methyl-branched fatty acid
  • branched fatty acid
  • gamma-keto acid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • keto acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid
  • medium-chain keto acid