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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:43 UTC
Update Date2025-03-21 18:00:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00026025
Frequency147.5
Structure
Chemical FormulaC7H7BrO2
Molecular Mass201.9629
SMILESCOc1cc(Br)ccc1O
InChI KeyWHSIIJQOEGXWSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aryl bromides
  • bromobenzenes
  • halophenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • organobromides
  • p-bromophenols
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 4-bromophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • bromobenzene
  • alkyl aryl ether
  • organohalogen compound
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • 4-halophenol
  • anisole
  • organobromide
  • hydrocarbon derivative
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound