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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:21 UTC
Update Date2025-03-25 00:59:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236375
Frequency0.5
Structure
Chemical FormulaC16H16O8S2
Molecular Mass400.0287
SMILESCSc1cc(O)cc2c1CC(O)C(c1ccc(OS(=O)(=O)O)c(O)c1)O2
InChI KeyMKUSSNNZAZLKKN-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
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • alkylarylthioethers
  • flavan-3-ols
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary alcohols
  • sulfenyl compounds
  • sulfuric acid monoesters
  • thiophenol ethers
  • thiophenols
    • Substituents
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • phenylsulfate
  • organic oxide
  • thiophenol
  • aromatic heteropolycyclic compound
  • thiophenol ether
  • chromane
  • arylsulfate
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • sulfenyl compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • thioether
  • 7-hydroxyflavonoid
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound