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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:38 UTC
Update Date2025-03-25 00:49:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177712
Frequency0.5
Structure
Chemical FormulaC15H14O9S
Molecular Mass370.0359
SMILESCOc1cc(C2COc3cc(O)c(OS(=O)(=O)O)cc3O2)ccc1O
InChI KeyIGQHGFRGUIOKKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • arylsulfates
  • benzo-1,4-dioxanes
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • para dioxins
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • arylsulfate
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • anisole
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound