Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:08:36 UTC
Update Date2025-03-24 19:55:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01077715
Frequency1.3
Structure
Chemical FormulaC7H14O2
Molecular Mass130.0994
SMILESCC1COC(C)(C)C1O
InChI KeyKRMDAXJMNOAKAD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound