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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:39 UTC
Update Date2025-03-25 00:59:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234792
Frequency0.5
Structure
Chemical FormulaC15H13IO6S
Molecular Mass447.9478
SMILESO=S(O)c1cc(O)c2c(c1)OC(c1cc(O)cc(I)c1)C(O)C2
InChI KeyNWDOQYJRKUNIHY-UHFFFAOYSA-N
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
  • 3'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • aryl iodides
  • flavan-3-ols
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • m-iodophenols
  • organic oxides
  • organoiodides
  • organosulfur compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • flavan
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • organohalogen compound
  • iodobenzene
  • sulfinic acid
  • organoiodide
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • 3-halophenol
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • 3-iodophenol
  • organooxygen compound