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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:21 UTC
Update Date2025-03-25 00:55:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213736
Frequency0.5
Structure
Chemical FormulaC10H14BrNO3
Molecular Mass275.0157
SMILESCNCC(O)c1cc(Br)c(O)c(OC)c1
InChI KeyLCMVWHFVPVXYJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • aryl bromides
  • bromobenzenes
  • dialkylamines
  • halophenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • o-bromophenols
  • organobromides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-bromophenol
  • alcohol
  • secondary aliphatic amine
  • bromobenzene
  • secondary amine
  • methoxybenzene
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • organobromide
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound
  • amine