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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 IDDMID02172117
Frequency0.5
Structure
Chemical FormulaC16H21NO2
Molecular Mass259.1572
SMILESCN1C2CCCC1C(OC(=O)Cc1ccccc1)C2
InChI KeyNXOHFYLQGPSUII-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tropane alkaloid
  • amine
  • organooxygen compound