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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:08 UTC
Update Date2025-03-25 00:54:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203838
Frequency0.5
Structure
Chemical FormulaC16H23NO2
Molecular Mass261.1729
SMILESOC1CN(CC2(O)CCCCC2)Cc2ccccc21
InChI KeyGTKOEBJJIRPFPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • aralkylamines
  • azacyclic compounds
  • benzenoids
  • cyclic alcohols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • cyclohexanol
  • cyclic alcohol
  • aralkylamine
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound