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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:57 UTC
Update Date2025-03-21 18:36:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112623
Frequency23.6
Structure
Chemical FormulaC14H21NO10S
Molecular Mass395.0886
SMILESNCCc1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)c(O)c1
InChI KeyLANZSPUIDTXILP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl sulfates
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound