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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:03 UTC
Update Date2025-03-25 00:46:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153606
Frequency0.5
Structure
Chemical FormulaC7H6ClNO3
Molecular Mass187.0036
SMILESCOc1ccc(Cl)c(C(=O)O)n1
InChI KeyWFMJTDBJJUEDDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridine-2-carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • aryl chlorides
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • vinylogous halides
    • Substituents
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • organochloride
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • pyridine-2-carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • aryl chloride
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • vinylogous halide
  • aryl halide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound