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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:22 UTC
Update Date2025-03-25 00:54:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204383
Frequency0.5
Structure
Chemical FormulaC7H7IO2
Molecular Mass249.9491
SMILESOCc1cccc(I)c1O
InChI KeyMKZMPTICUHRZBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • aryl iodides
  • benzyl alcohols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organoiodides
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 2-iodophenol
  • benzyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • organooxygen compound