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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:56 UTC
Update Date2025-03-21 18:35:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107772
Frequency24.9
Structure
Chemical FormulaC12H6Br4O2
Molecular Mass497.7101
SMILESOc1cc(Br)c(Oc2ccc(Br)cc2Br)cc1Br
InChI KeyCVHUMHHGNPIBPR-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
  • aryl bromides
  • bromobenzenes
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • m-bromophenols
  • o-bromophenols
  • organobromides
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • bromodiphenyl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • 3-bromophenol
  • 2-bromophenol
  • 3-halophenol
  • bromobenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organobromide
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound