Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:42:23 UTC
Update Date2025-03-25 00:23:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01305122
Frequency1.0
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCC1CCC(C)(O)COC1
InChI KeyBFFRQWZDZICVQI-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
  • tertiary alcohols
  • Substituents
  • alcohol
  • oxepane
  • oxacycle
  • tertiary alcohol
  • ether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound