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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:52 UTC
Update Date2025-03-25 00:49:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02173563
Frequency0.5
Structure
Chemical FormulaC13H18O5
Molecular Mass254.1154
SMILESCCC(CCC(=O)O)COC(=O)c1ccc(C)o1
InChI KeySAUFTTHPUSTSAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • furoic acid esters
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • fatty acyl
  • furan
  • carbonyl group
  • furoic acid or derivatives
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • heterocyclic fatty acid
  • heteroaromatic compound
  • fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organoheterocyclic compound
  • organooxygen compound
  • furoic acid ester