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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:21 UTC
Update Date2025-03-21 18:34:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098927
Frequency27.8
Structure
Chemical FormulaC7H9N3O2
Molecular Mass167.0695
SMILESCC(=O)Nc1ccc(=O)[nH]c1N
InChI KeyKHFWEDLBRDUULX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methylpyridines
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyridinones
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • acetamide
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • pyridinone
  • amine
  • organooxygen compound