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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:45 UTC
Update Date2025-03-25 00:47:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159664
Frequency0.5
Structure
Chemical FormulaC17H18O12S
Molecular Mass446.0519
SMILESO=c1cc(-c2ccc(O)cc2)occ1OC1OC(COS(=O)(=O)O)C(O)C(O)C1O
InChI KeyPPHFPTQYSQRVSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent pyranones and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl sulfates
  • benzene and substituted derivatives
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cyclic ketone
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • pyranone
  • oxane
  • alcohol
  • organic sulfuric acid or derivatives
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound