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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:07 UTC
Update Date2025-03-25 00:50:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183332
Frequency0.5
Structure
Chemical FormulaC19H18O9S
Molecular Mass422.0672
SMILESO=C1C(O)=C(OS(=O)(=O)O)C(Cc2ccc(O)c(O)c2)C1Cc1cccc(O)c1
InChI KeyOJILOAWCTICKAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound