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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:01 UTC
Update Date2025-03-25 00:51:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189977
Frequency0.5
Structure
Chemical FormulaC21H24N2O2
Molecular Mass336.1838
SMILESC=CC1CN2CC(O)(C=C)C1CC2c1ccnc2ccc(OC)cc12
InChI KeyPQQPMVBHXOXLQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organopnictogen compounds
  • piperidines
  • polyhalopyridines
  • quinuclidines
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • quinuclidine
  • alkyl aryl ether
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • tertiary alcohol
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound