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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:37:39 UTC
Update Date2025-03-21 17:57:46 UTC
HMDB IDHMDB0059636
Metabolite Identification
DeepMet IDDMID00010005
Name3-(3,5-Diiodo-4-hydroxyphenyl)lactate
Frequency475.6
Structure
Chemical FormulaC9H8I2O4
Molecular Mass433.8512
SMILESO=C(O)C(O)Cc1cc(I)c(O)c(I)c1
InChI KeyZPJHINFPRQWKIH-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
  • alpha hydroxy acids and derivatives
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • 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
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • alcohol
  • 2-iodophenol
  • hydroxy acid
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • organooxygen compound