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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:02 UTC
Update Date2025-03-25 00:47:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162495
Frequency0.5
Structure
Chemical FormulaC17H20N2O2
Molecular Mass284.1525
SMILESC=CC1(O)CN2CCC1CC2C(O)c1ccccc1C#N
InChI KeyAHCZGPVHOCVKIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinuclidines
Subclass quinuclidines
Direct Parent quinuclidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • aromatic alcohols
  • azacyclic compounds
  • benzonitriles
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • piperidines
  • secondary alcohols
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • nitrile
  • quinuclidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • carbonitrile
  • tertiary amine
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • benzonitrile
  • tertiary alcohol
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound