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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:03 UTC
Update Date2025-03-25 00:50:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183165
Frequency0.5
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESO=S(O)c1cc(O)cc2c1OCC(c1ccc(O)c(O)c1)C2
InChI KeyJLNVKQKNNXDNLF-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • sulfinic acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • sulfinic acid derivative
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound