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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:42:56 UTC
Update Date2025-03-21 17:59:34 UTC
HMDB IDHMDB0037516
Metabolite Identification
DeepMet IDDMID00021897
NamePentabromodiphenyl ethers
Frequency181.8
Structure
Chemical FormulaC12H5Br5O
Molecular Mass559.6257
SMILESBrc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1
InChI KeyWHPVYXDFIXRKLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylethers
Direct Parent bromodiphenyl ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl bromides
  • bromobenzenes
  • diarylethers
  • hydrocarbon derivatives
  • organobromides
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • bromodiphenyl ether
  • bromobenzene
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound