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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:22 UTC
Update Date2025-03-25 00:56:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220738
Frequency0.5
Structure
Chemical FormulaC14H20O6S
Molecular Mass316.0981
SMILESO=C(O)CCCCCCCc1cccc(OS(=O)(=O)O)c1
InChI KeyBIZLUFGVOKKCNP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent sulfated fatty acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • phenylsulfate
  • organic oxide
  • medium-chain fatty acid
  • arylsulfate
  • organic sulfuric acid or derivatives
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • sulfated fatty acid
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound