Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:44 UTC
Update Date2025-03-21 18:31:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00085491
Frequency33.4
Structure
Chemical FormulaC6H12O2
Molecular Mass116.0837
SMILESCC1CC(O)C(C)O1
InChI KeyPCMJRNYEMLQEJG-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