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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:09:43 UTC
Update Date2025-03-21 18:31:21 UTC
HMDB IDHMDB0240515
Metabolite Identification
DeepMet IDDMID00085435
NameEquol 4'-sulfate
Frequency33.5
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESO=S(=O)(O)Oc1ccc(C2COc3cc(O)ccc3C2)cc1
InChI KeyUXOJWGSGKUYMIA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • phenylsulfate
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound