Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:47:44 UTC
Update Date2025-03-24 14:03:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00741130
Frequency2.1
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC1CC2OC(C)(C)C2C1
InChI KeyZBXIPZBYMWLUHE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • ether
  • organic oxygen compound
  • oxetane
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound