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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:25 UTC
Update Date2025-03-21 18:39:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125648
Frequency20.4
Structure
Chemical FormulaC10H12O2
Molecular Mass164.0837
SMILESCOc1cccc(CCC=O)c1
InChI KeyXPSGIRHXVDIZJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aldehyde
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound