Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:51 UTC
Update Date2025-03-21 18:38:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119636
Frequency21.8
Structure
Chemical FormulaC8H16O4
Molecular Mass176.1049
SMILESCC1OC(C)(CO)CC(O)C1O
InChI KeyKRORGFMXYAARPP-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
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound