Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:17:14 UTC
Update Date2025-03-25 00:38:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02102833
Frequency0.6
Structure
Chemical FormulaC6H7NOS
Molecular Mass141.0248
SMILESOCc1cccnc1S
InChI KeyGPACUCVFGQCMQS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • thiols
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • arylthiol
  • organosulfur compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound