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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:38 UTC
Update Date2025-03-25 00:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150291
Frequency0.5
Structure
Chemical FormulaC13H14O2
Molecular Mass202.0994
SMILESCOc1ccc(C2C=C(C)C(=O)C2)cc1
InChI KeyNXMVDJPGWXRNAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • cyclic ketones
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • cyclic ketone
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound