Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:57:23 UTC
Update Date2025-03-24 22:26:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01196199
Frequency1.1
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1OC2OC(C)(C)OC12
InChI KeyQZSHDRDYHHYQBZ-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
  • organooxygen compounds
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • meta-dioxolane
  • ketal
  • oxetane
  • hydrocarbon derivative
  • organoheterocyclic compound