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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:37 UTC
Update Date2025-03-21 17:57:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00009948
Frequency479.0
Structure
Chemical FormulaC13H7Cl3O3
Molecular Mass315.9461
SMILESO=C(O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChI KeyBXGNPSILVZLQQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 3-halobenzoic acids
  • aryl chlorides
  • benzoic acids
  • benzoyl derivatives
  • diarylethers
  • dichlorobenzenes
  • halobenzoic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • carboxylic acid
  • 3-halobenzoic acid or derivatives
  • organochloride
  • benzoyl
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • 3-halobenzoic acid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • aryl chloride
  • chlorobenzene
  • halobenzoic acid
  • benzoic acid or derivatives
  • halobenzoic acid or derivatives
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound