Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:32 UTC
Update Date2025-03-25 00:48:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165977
Frequency0.5
Structure
Chemical FormulaC12H20O2
Molecular Mass196.1463
SMILESCC1=CCCC(C)(C)C12OC(C)C2O
InChI KeyODYKNNMNZJTDJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxetanes
Subclass oxetanes
Direct Parent oxetanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • oxacycle
  • ether
  • organic oxygen compound
  • oxetane
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound