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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:26 UTC
Update Date2025-03-25 00:46:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156767
Frequency0.5
Structure
Chemical FormulaC14H16O3
Molecular Mass232.1099
SMILESC=CC(=O)C(C)c1ccc(C(C)C(=O)O)cc1
InChI KeyRPULNILMASNVDA-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
  • acryloyl compounds
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • carboxylic acids
  • enones
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • p-cymene
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • organooxygen compound
  • aromatic monoterpenoid
  • enone