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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:18 UTC
Update Date2025-03-25 00:46:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158655
Frequency0.5
Structure
Chemical FormulaC15H8O8S
Molecular Mass347.994
SMILESO=c1oc2cc(O)ccc2c2c1oc1cc(OS(=O)(=O)O)ccc12
InChI KeyYFKQNTYDLNOQCU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass furanocoumarins
Direct Parent angular furanocoumarins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • arylsulfates
  • benzenoids
  • benzofurans
  • furans
  • furopyrans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • pyranones and derivatives
  • sulfuric acid monoesters
    • Substituents
  • furan
  • 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
  • benzofuran
  • heteroaromatic compound
  • furopyran
  • angular furanocoumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound