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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:11 UTC
Update Date2025-03-25 00:50:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183475
Frequency0.5
Structure
Chemical FormulaC6H5N2O4+
Molecular Mass169.0244
SMILESO=C(O)c1ccc([N+](=O)O)nc1
InChI KeyCPXSQSBBVOEFRJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-3-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • monocarboxylic acids and derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • allyl-type 1,3-dipolar organic compound
  • carboxylic acid derivative
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organic oxoazanium
  • imidolactam
  • nitroaromatic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite