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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:42 UTC
Update Date2025-03-25 00:58:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228129
Frequency0.5
Structure
Chemical FormulaC13H15NO2
Molecular Mass217.1103
SMILESC=CC1=C(C)C(C2=C(C)C(=O)CC2)NC1=O
InChI KeySPZHBHCTFJNDOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • cyclic ketone
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound