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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:56 UTC
Update Date2025-03-25 00:47:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164554
Frequency0.5
Structure
Chemical FormulaC13H11NO5
Molecular Mass261.0637
SMILESCC(Oc1ccc2ccc(C(=O)O)nc2c1)C(=O)O
InChI KeySDJWKFKZCCTMRJ-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
  • 2-halopyridines
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxyacetic acid derivatives
  • polyhalopyridines
  • pyridine-2-carboxylic acids
    • Substituents
  • pyridine carboxylic acid or derivatives
  • phenol ether
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • pyridine-2-carboxylic acid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • pyridine carboxylic acid
  • dicarboxylic acid or derivatives
  • quinoline-2-carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound