Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:22 UTC
Update Date2025-03-21 18:04:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00051330
Frequency63.7
Structure
Chemical FormulaC12H22O
Molecular Mass182.1671
SMILESCC1CCC2(C)CCC1C(C)(C)O2
InChI KeyCQCWLPUIBFKXTE-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