Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:39 UTC
Update Date2025-03-25 00:48:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166266
Frequency0.5
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESCC1CC2(CO1)COC(C)(C)O2
InChI KeyGWYJZIPGBMVXHS-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
  • tetrahydrofurans
  • Substituents
  • meta-dioxolane
  • tetrahydrofuran
  • dialkyl ether
  • oxacycle
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound