Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:18 UTC
Update Date2025-03-21 18:32:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091495
Frequency30.7
Structure
Chemical FormulaC12H22O
Molecular Mass182.1671
SMILESCC1(C)CC2CCC(C)(O1)C2(C)C
InChI KeyVPHQMVQPMWPRHC-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
  • oxanes
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • ether
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • dialkyl ether
  • organooxygen compound