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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:38 UTC
Update Date2025-03-25 00:50:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182237
Frequency0.5
Structure
Chemical FormulaC10H9NO4
Molecular Mass207.0532
SMILESO=C(O)C1Nc2ccccc2C(O)C1=O
InChI KeyFBGBRDMEQYNVSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinoline carboxylic acids
Direct Parent quinoline carboxylic acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • cyclic ketone
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • tetrahydroquinoline
  • alcohol
  • tetrahydroquinolone
  • azacycle
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • quinoline-2-carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • organooxygen compound