Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:13 UTC
Update Date2025-03-25 00:48:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169792
Frequency0.5
Structure
Chemical FormulaC12H22O4
Molecular Mass230.1518
SMILESCCOC(=O)C(OC(=O)C(C)CC)C(C)C
InChI KeyWRHUCLFDYSKIJZ-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
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • fatty acid ester
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound