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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:26 UTC
Update Date2025-03-25 00:54:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206811
Frequency0.5
Structure
Chemical FormulaC17H18O6S
Molecular Mass350.0824
SMILESO=C(Cc1ccccc1)C(CO)Cc1cccc(OS(=O)(=O)O)c1
InChI KeyADUZKJLRUAKDCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
ClassNot Available
Subclass lignans, neolignans and related compounds
Direct Parent lignans, neolignans and related compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • primary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • norlignan skeleton
  • ketone
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • primary alcohol
  • organooxygen compound