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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:18 UTC
Update Date2025-03-25 00:57:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222873
Frequency0.5
Structure
Chemical FormulaC12H17NO11S2
Molecular Mass415.0243
SMILESO=S(=O)(O)NC1C(O)OC(COS(=O)(=O)O)C(Oc2ccccc2)C1O
InChI KeyYIZYSVDKWFRABS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • alkyl sulfates
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoamides
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aromatic heteromonocyclic compound
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • sulfuric acid monoamide
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound