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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:09 UTC
Update Date2025-03-25 00:56:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02215525
Frequency0.5
Structure
Chemical FormulaC16H16O7S
Molecular Mass352.0617
SMILESCC1Cc2c(cc(O)cc2OS(=O)(=O)O)OC1c1ccc(O)cc1
InChI KeyMCEZXBMJFQDWCC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 7-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • arylsulfates
  • benzene and substituted derivatives
  • flavans
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • 7-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound