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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:35 UTC
Update Date2025-03-25 00:59:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236911
Frequency0.5
Structure
Chemical FormulaC16H9Cl2NO4
Molecular Mass348.9909
SMILESO=C(O)c1cnc2ccc(O)cc2c1Oc1ccc(Cl)cc1Cl
InChI KeyUQODOCUZKZLYLP-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
  • aryl chlorides
  • azacyclic compounds
  • chloroquinolines
  • diarylethers
  • dichlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • hydroxyquinolines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • polyhalopyridines
  • pyridine-3-carboxylic acids
    • Substituents
  • diaryl ether
  • pyridine carboxylic acid or derivatives
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • pyridine-3-carboxylic acid
  • polyhalopyridine
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • quinoline-3-carboxylic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • 2-halopyridine
  • aryl chloride
  • chlorobenzene
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • aryl halide
  • hydroxyquinoline
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • chloroquinoline
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • organooxygen compound