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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:04 UTC
Update Date2025-03-25 00:57:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224589
Frequency0.5
Structure
Chemical FormulaC12H10N2O4
Molecular Mass246.0641
SMILESO=C(O)C(Nc1ccnc2ccccc12)C(=O)O
InChI KeyZSVGDTAGANBFMN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • 2-halopyridines
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alkylarylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • polyhalopyridine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • alpha-amino acid
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • organooxygen compound