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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:37 UTC
Update Date2025-03-21 18:06:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00063624
Frequency48.5
Structure
Chemical FormulaC15H9IO6
Molecular Mass411.9444
SMILESO=c1c(O)c(-c2ccc(O)c(I)c2)oc2cc(O)cc(O)c12
InChI KeyVSVQATWYOXNJAE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavones
Direct Parent flavonols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • aryl iodides
  • chromones
  • flavonoids
  • halophenols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic oxides
  • organoiodides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • vinylogous acids
    • Substituents
  • 3-hydroxyflavone
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • organic oxide
  • chromone
  • aromatic heteropolycyclic compound
  • pyranone
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • 2-halophenol
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • organooxygen compound