Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:18:52 UTC
Update Date2025-03-24 22:01:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01964044
Frequency0.6
Structure
Chemical FormulaC6H12O2
Molecular Mass116.0837
SMILESCC1OC1C(C)(C)O
InChI KeyREBJJHOONXCNHP-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
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • tertiary alcohol
  • ether
  • aliphatic heteromonocyclic compound
  • oxirane
  • hydrocarbon derivative
  • dialkyl ether
  • organoheterocyclic compound