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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:35 UTC
Update Date2025-03-25 00:50:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182122
Frequency0.5
Structure
Chemical FormulaC10H15NO3
Molecular Mass197.1052
SMILESO=C(O)CC(=O)C1CN2CCC1CC2
InChI KeyVLLHCDHJJMCDTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinuclidines
Subclass quinuclidines
Direct Parent quinuclidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • beta-amino ketones
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • trialkylamines
    • Substituents
  • beta-hydroxy ketone
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • quinuclidine
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • beta-aminoketone
  • piperidine
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound