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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:06 UTC
Update Date2025-03-21 18:28:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071961
Frequency41.6
Structure
Chemical FormulaC9H9IO5
Molecular Mass323.9495
SMILESO=C(O)C(O)Cc1cc(O)c(O)c(I)c1
InChI KeyJWPRNXHZMHMPLJ-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha hydroxy acids and derivatives
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • m-iodophenols
  • monocarboxylic acids and derivatives
  • o-iodophenols
  • organic oxides
  • organoiodides
  • 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
  • iodobenzene
  • organoiodide
  • organic oxide
  • alcohol
  • 3-halophenol
  • 2-iodophenol
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • 3-iodophenol
  • organooxygen compound