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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:31 UTC
Update Date2025-03-25 01:01:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248299
Frequency0.5
Structure
Chemical FormulaC11H9NO4
Molecular Mass219.0532
SMILESCn1c(=O)ccc2cc(O)c(C(=O)O)cc21
InChI KeyHOSCZNRWDREHRO-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-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • hydroxypyridines
  • hydroxyquinolines
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridinones
  • salicylic acid and derivatives
  • vinylogous acids
    • Substituents
  • lactam
  • carboxylic acid
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • quinoline-7-carboxylic acid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • dihydroquinoline
  • hydroxybenzoic acid
  • hydroxyquinoline
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • salicylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound