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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:42 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177868
Frequency0.5
Structure
Chemical FormulaC14H20O4
Molecular Mass252.1362
SMILESCOc1cc(C(C)C(=O)O)ccc1CC(C)(C)O
InChI KeyBLJMPRVTPIUPQZ-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
  • alkyl aryl ethers
  • anisoles
  • aromatic monoterpenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenoxy compounds
  • phenylpropanes
  • tertiary alcohols
    • Substituents
  • monoterpenoid
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • ether
  • carboxylic acid
  • p-cymene
  • alkyl aryl ether
  • carboxylic acid derivative
  • phenylpropane
  • organic oxide
  • 2-phenylpropanoic-acid
  • alcohol
  • methoxybenzene
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aromatic monoterpenoid