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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:31 UTC
Update Date2025-03-21 18:38:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121210
Frequency21.4
Structure
Chemical FormulaC9H9BrO4
Molecular Mass259.9684
SMILESO=C(O)C(O)Cc1ccc(O)c(Br)c1
InChI KeyJWGYBALPCIPYAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha hydroxy acids and derivatives
  • aryl bromides
  • bromobenzenes
  • carbonyl compounds
  • carboxylic acids
  • halophenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • o-bromophenols
  • organic oxides
  • organobromides
  • secondary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • alpha-hydroxy acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • 2-bromophenol
  • alcohol
  • bromobenzene
  • hydroxy acid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • organobromide
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • aryl bromide
  • organooxygen compound