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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:20 UTC
Update Date2025-03-25 01:01:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247889
Frequency0.5
Structure
Chemical FormulaC13H8O7S
Molecular Mass307.9991
SMILESO=c1oc2ccccc2c2cc(OS(=O)(=O)O)cc(O)c12
InChI KeyFDMNFFLMEMGMSL-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
  • 1-hydroxy-4-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
  • vinylogous acids
    • Substituents
  • sulfuric acid monoester
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • isocoumarin
  • coumarin
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound