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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:52 UTC
Update Date2025-03-21 18:39:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126734
Frequency20.2
Structure
Chemical FormulaC12H22O4
Molecular Mass230.1518
SMILESCOC(=O)CCCCCCCCCC(=O)O
InChI KeyJAELIPKEGUQPKD-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
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid methyl esters
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • methyl esters
  • organic oxides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • fatty acid ester
  • organic oxide
  • fatty acid methyl ester
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organooxygen compound