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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:54 UTC
Update Date2025-03-25 00:53:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201077
Frequency0.5
Structure
Chemical FormulaC20H20O10S
Molecular Mass452.0777
SMILESCOc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc(O)c1OS(=O)(=O)O
InChI KeyFVHRDCNHYBYFPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classfuranoid lignans
Subclass furan lignans
Direct Parent furan lignans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzodioxoles
  • dialkyl ethers
  • furofuran lignans
  • furofurans
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • furofuran lignan skeleton
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • dialkyl ether
  • phenylsulfate
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • furofuran
  • arylsulfate
  • organoheterocyclic compound
  • benzodioxole
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • furan lignan skeleton
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound