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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:33:27 UTC
Update Date2025-03-24 14:28:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00851288
Frequency1.7
Structure
Chemical FormulaC6H6N2O
Molecular Mass122.048
SMILESO=C1Cc2cc[nH]c2N1
InChI KeyRGWAUTQSAMXLSB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound