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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:57 UTC
Update Date2025-03-25 00:50:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182967
Frequency0.5
Structure
Chemical FormulaC9H6O8S
Molecular Mass273.9783
SMILESO=c1cc(O)c2ccc(O)c(OS(=O)(=O)O)c2o1
InChI KeyWFPQDBSSAHPBTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass hydroxycoumarins
Direct Parent 4-hydroxycoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 7-hydroxycoumarins
  • arylsulfates
  • benzenoids
  • coumarins and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • sulfuric acid monoester
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • 4-hydroxycoumarin
  • benzopyran
  • organic sulfuric acid or derivatives
  • 7-hydroxycoumarin
  • heteroaromatic compound
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound