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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:04 UTC
Update Date2025-03-25 01:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251867
Frequency0.5
Structure
Chemical FormulaC15H16O13S
Molecular Mass436.0312
SMILESO=c1cc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)oc2cc(O)cc(O)c12
InChI KeyFITHGMMFDICPES-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-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl sulfates
  • benzenoids
  • chromones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyranones and derivatives
  • secondary alcohols
  • sulfuric acid monoesters
  • vinylogous acids
  • vinylogous esters
    • Substituents
  • sulfuric acid monoester
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • pyranone
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • organic sulfuric acid or derivatives
  • vinylogous ester
  • heteroaromatic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • coumarin
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound