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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:09 UTC
Update Date2025-03-21 18:37:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118005
Frequency22.2
Structure
Chemical FormulaC15H10IO5+
Molecular Mass396.9567
SMILESOc1cc(O)c2cc(O)c(-c3ccc(O)c(I)c3)[o+]c2c1
InChI KeyFHMDSAFHVDNLJU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • anthocyanidins
  • aryl iodides
  • halophenols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • iodobenzenes
  • o-iodophenols
  • organic cations
  • organoiodides
  • organooxygen compounds
  • oxacyclic compounds
    • Substituents
  • 3-hydroxyflavonoid
  • monocyclic benzene moiety
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • aromatic heteropolycyclic compound
  • anthocyanidin
  • organic cation
  • organoheterocyclic compound
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • 2-halophenol
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • organooxygen compound