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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:52 UTC
Update Date2025-03-25 00:45:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150832
Frequency0.5
Structure
Chemical FormulaC16H16O8S2
Molecular Mass400.0287
SMILESO=S(O)c1cc(O)cc2c1CC(Cc1cccc(OS(=O)(=O)O)c1)CO2
InChI KeyRKGDDMISGDMJJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classhomoisoflavonoids
Subclass homoisoflavans
Direct Parent homoisoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • organic oxides
  • organosulfur compounds
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfinic acids
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • phenylsulfate
  • organic oxide
  • aromatic heteropolycyclic compound
  • homoisoflavan
  • 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