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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:01 UTC
Update Date2025-03-25 00:51:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187684
Frequency0.5
Structure
Chemical FormulaC12H22O5
Molecular Mass246.1467
SMILESCC(C)C(=O)OC(CCC(O)C(=O)O)C(C)C
InChI KeyLJJSQOXTSXCXKO-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 aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • carboxylic acid derivative
  • branched fatty acid
  • medium-chain hydroxy acid
  • saccharide
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound