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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:08 UTC
Update Date2025-03-21 18:33:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098394
Frequency28.0
Structure
Chemical FormulaC10H9NO3
Molecular Mass191.0582
SMILESO=C(O)C1Cc2ccccc2N=C1O
InChI KeyQULTWXIRPYWHGU-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
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • quinoline-3-carboxylic acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound