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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:58 UTC
Update Date2025-03-25 00:51:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189866
Frequency0.5
Structure
Chemical FormulaC12H14O3
Molecular Mass206.0943
SMILESC=CCc1ccc(OC)cc1CC(=O)O
InChI KeyNZVIKDGDRUAHOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound