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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:37 UTC
Update Date2025-03-25 00:57:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227959
Frequency0.5
Structure
Chemical FormulaC17H18N2O2
Molecular Mass282.1368
SMILESC=CC(=O)c1c(C)[nH]c(C=C2NC(=O)C(C=C)=C2C)c1C
InChI KeyUOSBPORVBRFYHR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl ketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • alpha,beta-unsaturated ketone
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • pyrroline
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • aryl ketone