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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:59 UTC
Update Date2025-03-25 00:52:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196557
Frequency0.5
Structure
Chemical FormulaC14H16INO2
Molecular Mass357.0226
SMILESCCC1=C(C)C(=O)NC1Cc1cc(I)ccc1O
InChI KeyRVSCYKICLCKMGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass halophenols
Direct Parent halophenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl iodides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • iodobenzenes
  • lactams
  • organic oxides
  • organoiodides
  • organonitrogen compounds
  • organopnictogen compounds
  • p-iodophenols
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • 4-iodophenol
  • organoiodide
  • organic oxide
  • 4-halophenol
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • aryl iodide
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound