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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:22 UTC
Update Date2025-03-25 00:58:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231845
Frequency0.5
Structure
Chemical FormulaC21H36O16
Molecular Mass544.2003
SMILESCC1(C)OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O1
InChI KeyZRMKJROKWGJKAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolopyrans
Subclass dioxolopyrans
Direct Parent dioxolopyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • meta-dioxolane
  • monosaccharide
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • ketal
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • dioxolopyran
  • organooxygen compound