Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:16 UTC
Update Date2025-03-21 18:29:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00077213
Frequency38.0
Structure
Chemical FormulaC7H14O3
Molecular Mass146.0943
SMILESCC1(CO)COC(C)(C)O1
InChI KeyRGBAHPYNXOCIPY-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
  • alcohols and polyols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • alcohol
  • oxacycle
  • meta-dioxolane
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound