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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:50 UTC
Update Date2025-03-25 00:48:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171197
Frequency0.5
Structure
Chemical FormulaC18H20O8S
Molecular Mass396.0879
SMILESCOc1cc(C2Cc3cc(OS(=O)(=O)O)c(OC)cc3CC2O)ccc1O
InChI KeyUEWNSDRVJPWOEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass phenylnaphthalenes
Direct Parent phenylnaphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoesters
  • tetralins
    • Substituents
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organic oxide
  • arylsulfate
  • alcohol
  • organic sulfuric acid or derivatives
  • aromatic homopolycyclic compound
  • methoxybenzene
  • organic oxygen compound
  • phenylnaphthalene
  • anisole
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound