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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:12 UTC
Update Date2025-03-21 18:34:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100989
Frequency27.1
Structure
Chemical FormulaC15H14O10S2
Molecular Mass418.0028
SMILESO=S(O)Oc1cc(O)c2c(c1)OC(c1ccc(OS(=O)(=O)O)cc1)C(O)C2
InChI KeyHISWVFFVYJICAK-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
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • flavan-3-ols
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • phenylsulfate
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound