Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:40 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150355
Frequency0.5
Structure
Chemical FormulaC12H24O2
Molecular Mass200.1776
SMILESCCC1C(C)OC(C)C(O)C(C)C1C
InChI KeyASCUZVCBYCIGEK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • oxepane
  • oxacycle
  • ether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound