Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:50 UTC
Update Date2025-03-21 17:59:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00023918
Frequency163.6
Structure
Chemical FormulaC9H16O4
Molecular Mass188.1049
SMILESCC1(C)OCC2OC(C)(C)OC2O1
InChI KeyJNAVUDFLZWKXPB-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-dioxanes
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • ketal
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound