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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:44 UTC
Update Date2025-03-21 18:03:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042662
Frequency80.0
Structure
Chemical FormulaC10H10O3
Molecular Mass178.063
SMILESO=CC(Cc1ccccc1)C(=O)O
InChI KeyNAYOGLQOGCMXAU-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
  • aldehydes
  • benzene and substituted derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • aldehyde
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • organooxygen compound