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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:23 UTC
Update Date2025-03-25 00:54:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204415
Frequency0.5
Structure
Chemical FormulaC12H6Br4O3
Molecular Mass513.705
SMILESOc1cc(O)c(Oc2c(Br)cc(Br)cc2Br)cc1Br
InChI KeyDBSNFCCZRSYNMO-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
  • o-bromophenols
  • organobromides
  • p-bromophenols
  • phenol ethers
  • phenoxy compounds
  • resorcinols
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • bromodiphenyl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • resorcinol
  • 4-halophenol
  • 2-bromophenol
  • 4-bromophenol
  • bromobenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organobromide
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound