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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:53 UTC
Update Date2025-03-25 00:53:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201034
Frequency0.5
Structure
Chemical FormulaC11H14O7S
Molecular Mass290.046
SMILESCOc1cc(CC2OS(=O)(=O)OC2CO)ccc1O
InChI KeyYKYPTBSTDPFXSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl sulfates
  • anisoles
  • dioxathiolanes
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • primary alcohols
  • sulfuric acid diesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organic oxide
  • sulfuric acid diester
  • alkyl sulfate
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • dioxathiolane
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound