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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:20 UTC
Update Date2025-03-21 18:07:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067748
Frequency44.8
Structure
Chemical FormulaC13H17NO2
Molecular Mass219.1259
SMILESOc1cc2c(cc1O)C1CCCCN1CC2
InChI KeyXGCKMUVJTDARHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolizines
Subclass quinolizines
Direct Parent quinolizines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • piperidines
  • tetrahydroisoquinolines
  • trialkylamines
    • Substituents
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aralkylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organooxygen compound
  • quinolizine