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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:47 UTC
Update Date2025-03-21 18:40:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128928
Frequency19.8
Structure
Chemical FormulaC13H9ClO4
Molecular Mass264.0189
SMILESO=C(O)c1ccc(Oc2ccc(Cl)cc2O)cc1
InChI KeyIJYDSSAJXKVDLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent diphenylethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl chlorides
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • chlorobenzenes
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • m-chlorophenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • carboxylic acid
  • organochloride
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • benzoic acid
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • 3-chlorophenol
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound