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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:25 UTC
Update Date2025-03-21 18:40:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130434
Frequency19.5
Structure
Chemical FormulaC7H13NO9S
Molecular Mass287.0311
SMILESNC1C(OS(=O)(=O)O)=C(O)C(C(O)CO)OC1O
InChI KeyISSKFTHRJBAUEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • sulfate-ester
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • sulfuric acid ester
  • primary alcohol
  • organooxygen compound
  • 1,2-diol