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 IDDMID02169781
Frequency0.5
Structure
Chemical FormulaC11H18O7
Molecular Mass262.1053
SMILESCCOC(=O)CC(O)(C(=O)OCC)C(=O)OCC
InChI KeyHAEWVESNEOFADI-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
  • tertiary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • tricarboxylic acid or derivatives
  • fatty acid ester
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound