Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:14:17 UTC
Update Date2025-03-24 20:14:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01381721
Frequency0.9
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCC1CCCC(C)(O)CO1
InChI KeyOYXCTVXXUDRCJD-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