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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:16 UTC
Update Date2025-03-25 00:45:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149400
Frequency0.5
Structure
Chemical FormulaC12H17NO3
Molecular Mass223.1208
SMILESCC=CC(C)C(=O)N1C(=O)CCC1C(C)=O
InChI KeyLVLFDBQWIPPROA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-acylpyrrolidines
Direct Parent n-acylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • ketones
  • n-substituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • azacycle
  • n-acylpyrrolidine
  • carboxylic acid derivative
  • carboxylic acid imide
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • dicarboximide
  • organic nitrogen compound
  • carboxylic acid imide, n-substituted
  • pyrrolidone
  • organooxygen compound