Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:59 UTC
Update Date2025-03-25 00:56:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217472
Frequency0.5
Structure
Chemical FormulaC8H14O4
Molecular Mass174.0892
SMILESCC(=O)C1CC(O)C(C)(CO)O1
InChI KeyJYMNSPXPDPDZEO-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
  • ketones
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • ether
  • tetrahydrofuran
  • monosaccharide
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound