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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:13 UTC
Update Date2025-03-25 00:54:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206311
Frequency0.5
Structure
Chemical FormulaC16H16N2O2
Molecular Mass268.1212
SMILESC=CC(=O)C1=C(C)C(C=C2NC(=O)C(C=C)=C2C)=NC1
InChI KeyPOXAXWRBYWZENH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • lactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • ketimine
  • carbonyl group
  • lactam
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • alpha,beta-unsaturated ketone
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • 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