Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:08 UTC
Update Date2025-03-21 18:29:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00076873
Frequency38.3
Structure
Chemical FormulaC11H20O2
Molecular Mass184.1463
SMILESCC12CCC(CC(O)C1)C(C)(C)O2
InChI KeyKTZPNVGISOCRQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound