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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:52 UTC
Update Date2025-03-21 18:38:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122057
Frequency21.2
Structure
Chemical FormulaC9H15NO2
Molecular Mass169.1103
SMILESCC(=O)OC1CC2CCC1N2C
InChI KeyWTWAHLBSBDNAIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • carbonyl group
  • azacycle
  • n-alkylpyrrolidine
  • amino acid or derivatives
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound