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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:37 UTC
Update Date2025-03-21 18:35:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104514
Frequency25.9
Structure
Chemical FormulaC13H8Cl2O4
Molecular Mass297.98
SMILESO=C(O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1O
InChI KeyNZUGOEOYNVTGGI-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl chlorides
  • benzoic acids
  • benzoyl derivatives
  • diarylethers
  • dichlorobenzenes
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
  • salicylic acids
  • vinylogous acids
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • carboxylic acid
  • organochloride
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • salicylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • aryl chloride
  • chlorobenzene
  • benzoic acid or derivatives
  • aryl halide
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • diphenylether
  • organooxygen compound