Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:33:29 UTC
Update Date2025-03-21 19:57:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00281870
Frequency7.2
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCC1(C)CC(C(C)(C)O)O1
InChI KeyAYVHLULSZVORGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • Substituents
  • oxacycle
  • tertiary alcohol
  • ether
  • oxetane
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • dialkyl ether
  • organoheterocyclic compound