Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:09 UTC
Update Date2025-03-21 18:35:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105814
Frequency25.5
Structure
Chemical FormulaC12H22O2
Molecular Mass198.162
SMILESC=CC1(C)OC(C(C)(C)O)CCC1C
InChI KeyDJAULHQTYJJBCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • oxacycle
  • tertiary alcohol
  • ether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • dialkyl ether
  • organooxygen compound