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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:23 UTC
Update Date2025-03-25 00:57:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227452
Frequency0.5
Structure
Chemical FormulaC17H20N2O
Molecular Mass268.1576
SMILESC=CC1CN2CCC1CC2C1OC2=NC=CC1=CC=C2
InChI KeyBMMOQCFSSLFQOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinuclidines
Subclass quinuclidines
Direct Parent quinuclidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-oxazepines
  • azacyclic compounds
  • hydrocarbon derivatives
  • imidoesters
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • azacycle
  • quinuclidine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • imido ester
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • meta-oxazepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound