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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:59 UTC
Update Date2025-03-25 00:59:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235594
Frequency0.5
Structure
Chemical FormulaC16H16O6S
Molecular Mass336.0668
SMILESCOc1ccc(C2COc3ccc(OS(=O)(=O)O)cc3C2)cc1
InChI KeyOHYKMPCPLVITEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass o-methylated isoflavonoids
Direct Parent 4'-o-methylated isoflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • hydrocarbon derivatives
  • isoflavanols
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-benzopyran
  • isoflavanol
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • arylsulfate
  • organoheterocyclic compound
  • 4p-methoxyisoflavonoid
  • isoflavan
  • benzopyran
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound