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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 IDDMID00111875
Frequency23.8
Structure
Chemical FormulaC13H22O9S
Molecular Mass354.0985
SMILESCC1(C)OC2COCC3(COS(=O)(=O)O)OC(C)(C)OC3C2O1
InChI KeyJVWQALXDAKTJIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • alkyl sulfates
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketals
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • meta-dioxolane
  • sulfuric acid monoester
  • ether
  • organic sulfuric acid or derivatives
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • ketal
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound