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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:00 UTC
Update Date2025-03-25 00:50:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180817
Frequency0.5
Structure
Chemical FormulaC12H11NO4
Molecular Mass233.0688
SMILESCc1[nH]c2ccc(O)cc2c(=O)c1CC(=O)O
InChI KeyAHFXYCSTCQRCJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass hydroxyquinolines
Direct Parent hydroxyquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-halopyridines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroquinolones
  • hydroxypyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • vinylogous amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • polyhalopyridine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • dihydroquinoline
  • hydroxyquinoline
  • monocarboxylic acid or derivatives
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound