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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:28 UTC
Update Date2025-03-25 00:49:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177321
Frequency0.5
Structure
Chemical FormulaC9H12INO3
Molecular Mass308.9862
SMILESCNCC(O)c1cc(O)c(I)c(O)c1
InChI KeyVPYRPFJFTDGBSR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • aryl iodides
  • dialkylamines
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organoiodides
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • resorcinol
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound
  • amine