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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:33 UTC
Update Date2025-03-25 00:52:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191108
Frequency0.5
Structure
Chemical FormulaC17H23NO2
Molecular Mass273.1729
SMILESC=CC1(O)CN2CCC1CC(c1ccc(OC)cc1)C2
InChI KeyKIDGRLFVGIGWCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • azepanes
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • piperidines
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • methoxybenzene
  • tertiary alcohol
  • azepane
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound