Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:07 UTC
Update Date2025-03-21 18:35:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108183
Frequency24.8
Structure
Chemical FormulaC7H14O4
Molecular Mass162.0892
SMILESCCOC(=O)C(O)C(C)OC
InChI KeySBVLSJWENOSSKI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • fatty acid ester
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound