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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:04 UTC
Update Date2025-03-25 00:53:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199127
Frequency0.5
Structure
Chemical FormulaC9H13NO3
Molecular Mass183.0895
SMILESCC(=O)OC1CC2CC(=O)C1N2C
InChI KeyLIQHLTRQLICHGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-3-ones
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • carbonyl group
  • azacycle
  • 3-pyrrolidone
  • n-alkylpyrrolidine
  • amino acid or derivatives
  • tertiary aliphatic amine
  • carboxylic acid derivative
  • ketone
  • 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