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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:44 UTC
Update Date2025-03-21 18:41:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135720
Frequency18.5
Structure
Chemical FormulaC12H10N2O
Molecular Mass198.0793
SMILESO=C(Nc1ccccc1)c1ccccn1
InChI KeyGVBHRBMWXDCRHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent aromatic anilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • 2-heteroaryl carboxamides
  • azacyclic compounds
  • benzene and substituted derivatives
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyridinecarboxylic acids and derivatives
  • secondary carboxylic acid amides
  • Substituents
  • pyridine carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • secondary carboxylic acid amide
  • aromatic anilide
  • organic oxide
  • pyridine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound