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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:52 UTC
Update Date2025-03-25 01:02:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253598
Frequency0.5
Structure
Chemical FormulaC16H16O8S
Molecular Mass368.0566
SMILESO=C(CC(Cc1ccccc1)OS(=O)(=O)O)c1c(O)cc(O)cc1O
InChI KeyVVDHOPIBQSKJAL-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • alkyl sulfates
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • norlignan skeleton
  • ketone
  • phloroglucinol derivative
  • organic oxide
  • alkyl sulfate
  • acylphloroglucinol derivative
  • organic sulfuric acid or derivatives
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone