Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:36:32 UTC
Update Date2025-03-24 14:30:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00858528
Frequency1.7
Structure
Chemical FormulaC6H12O2
Molecular Mass116.0837
SMILESCCCOC(C)C=O
InChI KeyCIASSWCFNNCKPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent dialkyl ethers
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • aldehyde
  • hydrocarbon derivative
  • dialkyl ether