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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:44 UTC
Update Date2025-03-21 18:39:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124021
Frequency20.8
Structure
Chemical FormulaC14H18O2
Molecular Mass218.1307
SMILESC=CC(=O)Cc1c(C)cc(C)c(OC)c1C
InChI KeyBQSUVRZDOCHCQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • alkyl aryl ethers
  • enones
  • hydrocarbon derivatives
  • ketones
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl aryl ether
  • alpha,beta-unsaturated ketone
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • acryloyl-group
  • phenoxy compound
  • organooxygen compound
  • enone