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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:54:22 UTC
Update Date2025-03-21 18:53:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00191330
Frequency11.8
Structure
Chemical FormulaC6H7NO2
Molecular Mass125.0477
SMILESC=CCC1C(=O)NC1=O
InChI KeyPGEOMRRTBOTPHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • beta lactams
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • lactam
  • azacycle
  • carboxylic acid derivative
  • azetidine
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • dicarboximide
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • beta-lactam
  • organoheterocyclic compound