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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:30 UTC
Update Date2025-03-21 18:40:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128245
Frequency19.9
Structure
Chemical FormulaC14H18N2O2
Molecular Mass246.1368
SMILESCN1C2CCC1CC(OC(=O)c1cccnc1)C2
InChI KeyNHFDVEVAKLYKKT-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
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • piperidines
  • pyridine-3-carboxylic acids
  • trialkylamines
    • Substituents
  • pyridine carboxylic acid or derivatives
  • amino acid or derivatives
  • pyridine-3-carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • carboxylic acid ester
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • organic nitrogen compound
  • tropane alkaloid
  • amine
  • organooxygen compound