Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:26 UTC
Update Date2025-03-21 17:56:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00004881
Frequency1128.0
Structure
Chemical FormulaC12H16O2
Molecular Mass192.115
SMILESCC(C)c1ccc(C(C)C(=O)O)cc1
InChI KeyDESVPZPAXGJCGM-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
  • cumenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid