Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:12 UTC
Update Date2025-03-21 18:37:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118128
Frequency22.1
Structure
Chemical FormulaC8H8INO2
Molecular Mass276.96
SMILESCC(=O)Nc1cc(I)ccc1O
InChI KeyKOZPJOKBFTULPZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent m-haloacetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetamides
  • aryl iodides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • n-acetylarylamines
  • organic oxides
  • organoiodides
  • organopnictogen compounds
  • p-iodophenols
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • 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
  • phenol
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • m-haloacetanilide
  • organooxygen compound