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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:06 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153720
Frequency0.5
Structure
Chemical FormulaC7H9NO4S
Molecular Mass203.0252
SMILESCS(=O)(=O)n1c(C=O)ccc1CO
InChI KeySTSMPSXRLZFEEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-aldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • substituted pyrroles
  • sulfonyls
    • Substituents
  • aromatic alcohol
  • alcohol
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • aryl-aldehyde
  • organic sulfonic acid or derivatives
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound