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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:41 UTC
Update Date2025-03-21 18:34:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099689
Frequency27.5
Structure
Chemical FormulaC7H5IO2
Molecular Mass247.9334
SMILESO=Cc1ccc(O)c(I)c1
InChI KeyKNQVIRRXVOTGGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent hydroxybenzaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl iodides
  • benzoyl derivatives
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organooxygen compounds
    • Substituents
  • monocyclic benzene moiety
  • benzoyl
  • 2-iodophenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxide
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • hydroxybenzaldehyde