Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:19 UTC
Update Date2025-03-21 18:37:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113520
Frequency23.3
Structure
Chemical FormulaC21H38O6
Molecular Mass386.2668
SMILESCC(C)C(=O)OCC(C)(C)C(OC(=O)C(OC(=O)C(C)C)C(C)C)C(C)C
InChI KeyXAZVHSCUFJXIRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • fatty acid ester
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • tricarboxylic acid or derivatives
  • organooxygen compound