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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:04 UTC
Update Date2025-03-21 18:02:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00036288
Frequency97.6
Structure
Chemical FormulaC11H19NO3
Molecular Mass213.1365
SMILESCOC(=O)C1C(O)CC2CCC1CN2C
InChI KeyIMRGJYVTWLTHTC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • organic oxide
  • methyl ester
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • hydroxy acid
  • cyclic alcohol
  • monocarboxylic acid or derivatives
  • azepane
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound