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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:12 UTC
Update Date2025-03-21 18:06:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00062637
Frequency49.5
Structure
Chemical FormulaC9H13NO7S
Molecular Mass279.0413
SMILESCc1ncc(C(CO)OS(=O)(=O)O)c(CO)c1O
InChI KeyGZXPKNFNOOCIID-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridoxines
Direct Parent pyridoxines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl sulfates
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary alcohols
  • sulfuric acid monoesters
    • Substituents
  • aromatic alcohol
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • primary alcohol
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • pyridoxine
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound