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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:53 UTC
Update Date2025-03-25 01:02:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253647
Frequency0.5
Structure
Chemical FormulaC15H13IO5
Molecular Mass399.9808
SMILESO=C(CCc1cc(O)cc(O)c1)c1cc(I)c(O)cc1O
InChI KeyJDYHJZQJLWFOOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent 2'-hydroxy-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl-phenylketones
  • aryl alkyl ketones
  • aryl iodides
  • benzoyl derivatives
  • butyrophenones
  • cinnamylphenols
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organooxygen compounds
  • p-iodophenols
  • resorcinols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • organohalogen compound
  • iodobenzene
  • 4-iodophenol
  • organoiodide
  • resorcinol
  • ketone
  • organic oxide
  • 4-halophenol
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • aryl halide
  • butyrophenone
  • aromatic homomonocyclic compound
  • 2-halophenol
  • vinylogous acid
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone