Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:37:05 UTC
Update Date2025-03-25 01:30:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02425120
Frequency0.5
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCOC1C2OC(C)(C)OC12
InChI KeyURONJFFKAPANQW-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ketal
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound