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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:28 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204609
Frequency0.5
Structure
Chemical FormulaC7H5NO5
Molecular Mass183.0168
SMILESO=Cc1c(O)cc(O)nc1C(=O)O
InChI KeyRRHKZQWKUCLMKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-2-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl-aldehydes
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridine carboxaldehydes
  • vinylogous acids
    • Substituents
  • 3-pyridine carboxaldehyde
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • pyridine-2-carboxylic acid
  • aryl-aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • aldehyde
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound