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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:29 UTC
Update Date2025-03-25 00:59:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238928
Frequency0.5
Structure
Chemical FormulaC7H7N3O2
Molecular Mass165.0538
SMILESO=CNNC(=O)c1ccccn1
InChI KeyJEKZLNKCAKVADC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid hydrazides
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • pyridine carboxylic acid or derivatives
  • carboxylic acid hydrazide
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound