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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:51 UTC
Update Date2025-03-21 18:04:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00052438
Frequency62.1
Structure
Chemical FormulaC12H7BrCl2O2
Molecular Mass331.9006
SMILESOc1cc(Br)ccc1Oc1ccc(Cl)cc1Cl
InChI KeyRHKKEASHVBALQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent bromodiphenyl ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl bromides
  • aryl chlorides
  • bromobenzenes
  • diarylethers
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • m-bromophenols
  • organobromides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • organochloride
  • bromodiphenyl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • 1,3-dichlorobenzene
  • 3-bromophenol
  • aryl chloride
  • chlorobenzene
  • 3-halophenol
  • bromobenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organobromide
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound