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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:04 UTC
Update Date2025-03-25 00:50:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178685
Frequency0.5
Structure
Chemical FormulaC6H7NO2S
Molecular Mass157.0197
SMILESCc1cnc(CC(=O)O)s1
InChI KeyKHPGBZSLFAAPIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 2,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • 2,5-disubstituted 1,3-thiazole
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound