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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:29 UTC
Update Date2025-03-25 01:00:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241202
Frequency0.5
Structure
Chemical FormulaC12H22N2O
Molecular Mass210.1732
SMILESCC(=O)NCCCC1CN2CCC1CC2
InChI KeyILUYLCFEMTYKEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinuclidines
Subclass quinuclidines
Direct Parent quinuclidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • azacycle
  • amino acid or derivatives
  • quinuclidine
  • tertiary aliphatic amine
  • carboxamide group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • acetamide
  • organooxygen compound