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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:01 UTC
Update Date2025-03-21 18:37:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117688
Frequency22.3
Structure
Chemical FormulaC17H28O11S
Molecular Mass440.1352
SMILESCC1(C)OC2COC3(COS(=O)(=O)O)OC(C)(C)OC3C3OC(C)(C)OC3C2O1
InChI KeyLOWQVEMDRAFNGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • alkyl sulfates
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • meta-dioxolane
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • ketal
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organoheterocyclic compound