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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:24 UTC
Update Date2025-03-25 00:51:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188539
Frequency0.5
Structure
Chemical FormulaC8H10N2O3
Molecular Mass182.0691
SMILESCC(N)c1ccc(C(=O)O)c(=O)[nH]1
InChI KeyHGLGZDNUQXUNJH-UHFFFAOYSA-N
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
  • lactams
  • methylpyridines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridinones
  • vinylogous amides
  • Substituents
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound