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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:28 UTC
Update Date2025-03-25 00:52:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193141
Frequency0.5
Structure
Chemical FormulaC14H20O8
Molecular Mass316.1158
SMILESCCCC=CC=CC(=O)OC(C(O)C(=O)O)C(O)C(O)C=O
InChI KeyNPJPLYRKKFTWFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • beta-hydroxy aldehyde
  • carboxylic acid
  • glucuronic acid or derivatives
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • alpha-hydroxyaldehyde
  • medium-chain fatty acid
  • hydroxy fatty acid
  • enoate ester
  • alcohol
  • aldehyde
  • hydroxy acid
  • fatty acid ester
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative