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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:58 UTC
Update Date2025-03-21 18:37:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117556
Frequency22.3
Structure
Chemical FormulaC16H22O10S
Molecular Mass406.0934
SMILESCC=Cc1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)c(OC)c1
InChI KeyRKISUINOQKXAFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • alkyl sulfates
  • hydrocarbon derivatives
  • methoxybenzenes
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aromatic heteromonocyclic compound
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • oxane
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound