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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:29 UTC
Update Date2025-03-25 00:49:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172685
Frequency0.5
Structure
Chemical FormulaC15H20O6
Molecular Mass296.126
SMILESCCCC(CCC(=O)O)COC(=O)c1ccc(O)c(O)c1
InChI KeyCUCYARLBFIAOOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent m-hydroxybenzoic acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzoyl derivatives
  • branched fatty acids
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • organic oxides
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • carbonyl group
  • carboxylic acid
  • p-hydroxybenzoic acid ester
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • m-hydroxybenzoic acid ester
  • 1-hydroxy-4-unsubstituted benzenoid
  • p-hydroxybenzoic acid alkyl ester
  • branched fatty acid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organooxygen compound