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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:44 UTC
Update Date2025-03-21 18:38:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119378
Frequency21.8
Structure
Chemical FormulaC11H11IO4
Molecular Mass333.9702
SMILESO=C1CCC(Cc2cc(O)c(O)c(I)c2)O1
InChI KeyCPSWGMRCORHHGH-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl iodides
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • iodobenzenes
  • m-iodophenols
  • monocarboxylic acids and derivatives
  • o-iodophenols
  • organic oxides
  • organoiodides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • lactone
  • organic oxide
  • organoheterocyclic compound
  • 3-halophenol
  • tetrahydrofuran
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • aryl halide
  • 2-halophenol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • aryl iodide
  • halobenzene
  • 3-iodophenol
  • organooxygen compound