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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:33 UTC
Update Date2025-03-21 18:03:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044656
Frequency75.7
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESO=S(=O)(O)Oc1ccc2c(c1)OCC(c1ccc(O)cc1)C2
InChI KeyLKMMHMIATBLMFD-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
  • arylsulfates
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • benzopyran
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound