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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:45 UTC
Update Date2025-03-25 00:57:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226076
Frequency0.5
Structure
Chemical FormulaC9H10INO2
Molecular Mass290.9756
SMILESCC(=O)NCc1cc(I)ccc1O
InChI KeyUGXYGFKIXXNVIB-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
  • acetamides
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • iodobenzenes
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • p-iodophenols
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • 4-iodophenol
  • organoiodide
  • organic oxide
  • 4-halophenol
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound