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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:38 UTC
Update Date2025-03-21 18:36:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111878
Frequency23.7
Structure
Chemical FormulaC19H18O11S
Molecular Mass454.057
SMILESO=c1oc2cc(OC3OC(COS(=O)(=O)O)C(O)C(O)C3O)ccc2c2ccccc12
InChI KeyPULLAKARVGOESJ-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
  • 2-benzopyrans
  • acetals
  • alkyl sulfates
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isocoumarins and derivatives
  • lactones
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • pyranones and derivatives
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • sulfuric acid monoester
  • 1-benzopyran
  • monosaccharide
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • isocoumarin
  • coumarin
  • oxacycle
  • organic oxygen compound
  • pyran
  • 2-benzopyran
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound