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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:58 UTC
Update Date2025-03-25 00:47:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162342
Frequency0.5
Structure
Chemical FormulaC13H22O4
Molecular Mass242.1518
SMILESC=CC1(C)CCC(C2OC(C)(C)OC2CO)O1
InChI KeyVXJDNVCWXSWAAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • meta-dioxolane
  • tetrahydrofuran
  • dialkyl ether
  • oxacycle
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound