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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:08 UTC
Update Date2025-03-25 00:57:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224729
Frequency0.5
Structure
Chemical FormulaC13H10N2O3
Molecular Mass242.0691
SMILESNc1ccc(C(=O)O)nc1C(=O)c1ccccc1
InChI KeyYUAKWAHNEISFAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids
  • aryl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyridine-2-carboxylic acids
  • vinylogous amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • monocyclic benzene moiety
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • pyridine-2-carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • vinylogous amide
  • azacycle
  • aryl-phenylketone
  • heteroaromatic compound
  • hydroxypyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine