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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:59 UTC
Update Date2025-03-21 18:41:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136308
Frequency18.4
Structure
Chemical FormulaC19H20O8S
Molecular Mass408.0879
SMILESO=C(CCc1ccc(OS(=O)(=O)O)cc1)CC(=O)CCc1ccc(O)c(O)c1
InChI KeyNIQDRMFYAVGRLR-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
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • linear 1,7-diphenylheptane skeleton
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound