Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:35 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188966
Frequency0.5
Structure
Chemical FormulaC9H16O4
Molecular Mass188.1049
SMILESCC(O)C1COC2OC(C)(C)OC21
InChI KeyGLMWHPSFPNRLRU-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
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • meta-dioxolane
  • tetrahydrofuran
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound