Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:35 UTC
Update Date2025-03-25 00:52:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195666
Frequency0.5
Structure
Chemical FormulaC9H18O3
Molecular Mass174.1256
SMILESCC1OC(C)(C)OC1C(C)(C)O
InChI KeyUDRRNUJHBVKLEG-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
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • oxacycle
  • meta-dioxolane
  • tertiary alcohol
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound