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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:54 UTC
Update Date2025-03-25 00:54:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205589
Frequency0.5
Structure
Chemical FormulaC12H10N2O4
Molecular Mass246.0641
SMILESNc1[nH]c(=O)c(O)c(C(=O)O)c1-c1ccccc1
InChI KeyUOZNPCLWJRHTNX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 2-halopyridines
  • amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyridinones
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • pyridinone
  • amine
  • organooxygen compound