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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172135
Frequency0.5
Structure
Chemical FormulaC13H21N3O
Molecular Mass235.1685
SMILESCN1C2CCC1C(Cc1cncn1C)C(O)C2
InChI KeyUKGKDOKTMYXIMQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classtropane alkaloids
Subclass tropane alkaloids
Direct Parent tropane alkaloids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic alcohols and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-alkylpyrrolidines
  • n-substituted imidazoles
  • organopnictogen compounds
  • piperidines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • cyclic alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • tropane alkaloid
  • pyrrolidine
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound
  • azole
  • n-substituted imidazole