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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:22 UTC
Update Date2025-03-21 18:28:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00070238
Frequency42.9
Structure
Chemical FormulaC8H12O4
Molecular Mass172.0736
SMILESCC1(C)OC2COC3OC3C2O1
InChI KeyRXJUXODLRVJGKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolopyrans
Subclass dioxolopyrans
Direct Parent dioxolopyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxepanes
  • 1,3-dioxolanes
  • epoxides
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • oxacyclic compounds
  • oxanes
    • Substituents
  • 1,3-dioxepane
  • meta-dioxolane
  • oxirane
  • monosaccharide
  • dioxepane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • ketal
  • hydrocarbon derivative
  • oxane
  • dioxolopyran
  • organooxygen compound