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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:46:09 UTC
Update Date2025-03-24 20:53:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01600380
Frequency0.8
Structure
Chemical FormulaC5H5N3O2
Molecular Mass139.0382
SMILESNc1nccc(O)c1N=O
InChI KeyIYUVQTOEUYGDRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • c-nitroso compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • organic nitroso compound
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound