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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:24:30 UTC
Update Date2025-03-24 16:49:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00973463
Frequency1.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1(C)OC2OC2(C)O1
InChI KeyIEYJZSABWBZSBE-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
  • epoxides
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • trioxanes
    • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • ketal
  • 1,3,5-trioxane
  • oxirane
  • hydrocarbon derivative
  • organoheterocyclic compound