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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:52 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178248
Frequency0.5
Structure
Chemical FormulaC14H24O7
Molecular Mass304.1522
SMILESCOC(=O)C(O)C(OC(C)=O)C(OC(=O)C(C)C)C(C)C
InChI KeyPXDUMUZLSGPTMT-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
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • tricarboxylic acid or derivatives
  • fatty acid ester
  • saccharide
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound