Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:44:13 UTC
Update Date2025-03-25 01:09:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02302313
Frequency0.5
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCOCC1(O)C=CCCC1
InChI KeyWLXVMSMNIJGALN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • ether
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • dialkyl ether