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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:57 UTC
Update Date2025-03-25 00:49:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176102
Frequency0.5
Structure
Chemical FormulaC14H12BrI2NO2
Molecular Mass558.8141
SMILESNCCc1ccc(Oc2cc(Br)c(O)c(I)c2)c(I)c1
InChI KeyMHKJQQNNAGLOAB-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
  • aryl iodides
  • bromobenzenes
  • diarylethers
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • monoalkylamines
  • o-bromophenols
  • o-iodophenols
  • organobromides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
    • Substituents
  • diaryl ether
  • phenol ether
  • ether
  • bromodiphenyl ether
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organonitrogen compound
  • organopnictogen compound
  • 2-bromophenol
  • 2-iodophenol
  • bromobenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • organobromide
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound