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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:12 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162885
Frequency0.5
Structure
Chemical FormulaC19H18O8S
Molecular Mass406.0722
SMILESO=C(C=Cc1ccc(OS(=O)(=O)O)c(O)c1)CC(=O)CCc1ccc(O)cc1
InChI KeyDERZEJSGMOKAAE-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
  • acryloyl compounds
  • enones
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • ketones
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • sulfuric acid monoester
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • hydroxycinnamic acid or derivatives
  • ketone
  • phenylsulfate
  • cinnamic acid or derivatives
  • organic oxide
  • arylsulfate
  • enone
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • linear 1,7-diphenylheptane skeleton
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound