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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:32 UTC
Update Date2025-03-21 17:58:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016545
Frequency257.9
Structure
Chemical FormulaC7H8N2O
Molecular Mass136.0637
SMILESCC(=O)Nc1ccncc1
InChI KeyBIJAWQUBRNHZGE-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
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • pyridine
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • acetamide
  • organooxygen compound