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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:55 UTC
Update Date2025-03-25 00:49:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176016
Frequency0.5
Structure
Chemical FormulaC18H26O14S
Molecular Mass498.1043
SMILESCC1OC(OCOC(=O)CCC(O)Cc2cc(O)c(OS(=O)(=O)O)c(O)c2)C(O)C(O)C1O
InChI KeyMZASSGLUORYIJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass arylsulfates
Direct Parent phenylsulfates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • resorcinols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • resorcinol
  • phenylsulfate
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound