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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:07 UTC
Update Date2025-03-25 00:54:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203792
Frequency0.5
Structure
Chemical FormulaC11H19NO3
Molecular Mass213.1365
SMILESO=C(O)CCCC1(O)CN2CCC1CC2
InChI KeyUWKMJXKKNVMWPF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinuclidines
Subclass quinuclidines
Direct Parent quinuclidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • short-chain hydroxy acids and derivatives
  • tertiary alcohols
  • trialkylamines
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • quinuclidine
  • fatty acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydroxy fatty acid
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound