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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:22 UTC
Update Date2025-03-25 00:50:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181629
Frequency0.5
Structure
Chemical FormulaC10H11IO3
Molecular Mass305.9753
SMILESO=C(O)CCCc1ccc(I)c(O)c1
InChI KeyFKYPIZPJKNKHJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • iodobenzenes
  • monocarboxylic acids and derivatives
  • o-iodophenols
  • organic oxides
  • organoiodides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 2-iodophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • organooxygen compound