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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:07 UTC
Update Date2025-03-25 00:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176485
Frequency0.5
Structure
Chemical FormulaC11H18O6S
Molecular Mass278.0824
SMILESO=C(O)CCCCC1CC(O)C=CC1S(=O)(=O)O
InChI KeyVMVCGYMFJVGDDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent carbocyclic fatty acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfonic acids
  • secondary alcohols
  • sulfonyls
    • Substituents
  • alcohol
  • carbocyclic fatty acid
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • organosulfonic acid
  • organosulfur compound
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound