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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:04 UTC
Update Date2025-03-21 18:39:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124807
Frequency20.6
Structure
Chemical FormulaC13H8O8S
Molecular Mass323.994
SMILESO=c1oc2cc(O)cc(OS(=O)(=O)O)c2c2ccc(O)cc12
InChI KeyMRKSZQABLBOIOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarins and derivatives
Direct Parent coumarins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-benzopyrans
  • arylsulfates
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • benzopyran
  • organic sulfuric acid or derivatives
  • 1-benzopyran
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • isocoumarin
  • coumarin
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • 2-benzopyran
  • pyranone
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • sulfuric acid ester
  • organoheterocyclic compound
  • organooxygen compound