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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:57 UTC
Update Date2025-03-25 00:47:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160070
Frequency0.5
Structure
Chemical FormulaC11H14O8S
Molecular Mass306.0409
SMILESO=S1(=O)OC(Cc2ccc(O)c(O)c2)C(O)C(O)C1O
InChI KeyDKOXQXXDBVEDTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxathianes
Subclass delta sultones
Direct Parent delta sultones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organosulfonic acid esters
  • oxacyclic compounds
  • secondary alcohols
  • sulfonic acid esters
    • Substituents
  • alcohol
  • delta-sultone
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfonic acid ester
  • sulfonic acid ester
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • 1,2-diol