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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:40 UTC
Update Date2025-03-21 18:35:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104631
Frequency25.9
Structure
Chemical FormulaC16H21NO
Molecular Mass243.1623
SMILESC=CC1(O)CN2CCC1CC2Cc1ccccc1
InChI KeyCEZWZTYQHXUEQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 2-benzylpiperidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • quinuclidines
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 2-benzylpiperidine
  • azacycle
  • quinuclidine
  • tertiary aliphatic amine
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound