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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:13 UTC
Update Date2025-03-21 18:06:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065037
Frequency47.2
Structure
Chemical FormulaC21H21N3O2
Molecular Mass347.1634
SMILESC=CC1=C(C)C(=O)NC1=Cc1cc(C)c(C=C2NC(=O)C(C)=C2C=C)[nH]1
InChI KeyJTNILUKMLPHJEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound