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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:47 UTC
Update Date2025-03-25 00:47:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159709
Frequency0.5
Structure
Chemical FormulaC15H9IO6
Molecular Mass411.9444
SMILESO=c1c(-c2ccc(O)c(I)c2)coc2c(O)c(O)c(O)cc12
InChI KeyPTUGDBONIGWYNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflav-2-enes
Direct Parent isoflavones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl iodides
  • chromones
  • halophenols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • iodobenzenes
  • isoflavonoids
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
    • Substituents
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • isoflavone
  • benzopyran
  • heteroaromatic compound
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • 2-halophenol
  • oxacycle
  • organic oxygen compound
  • pyran
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • organooxygen compound