Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:47 UTC
Update Date2025-03-21 18:34:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102447
Frequency26.6
Structure
Chemical FormulaC15H26O6
Molecular Mass302.1729
SMILESCOC(=O)C(C)C(OC(C)=O)C(C)(C)COC(=O)C(C)C
InChI KeyMKPCMUZLWYVCAP-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
  • fatty acid esters
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • tricarboxylic acid or derivatives
  • fatty acid ester
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound