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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:14 UTC
Update Date2025-03-21 18:33:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093802
Frequency29.7
Structure
Chemical FormulaC9H8N2O3
Molecular Mass192.0535
SMILESO=C(O)CC1C(O)=Nc2cccnc21
InChI KeyFCKMIYQFILIPQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound