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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:59 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194319
Frequency0.5
Structure
Chemical FormulaC14H18N2O2
Molecular Mass246.1368
SMILESCN1C2CCC1C(C(=O)c1ccccn1)C(O)C2
InChI KeyIDNXQIPWTIZNLE-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
  • 2-halopyridines
  • aryl alkyl ketones
  • azacyclic compounds
  • beta-amino ketones
  • cyclic alcohols and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aryl alkyl ketone
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • beta-aminoketone
  • pyrrolidine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • cyclic alcohol
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • tropane alkaloid
  • amine
  • organooxygen compound
  • aryl ketone