Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:42 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150451
Frequency0.5
Structure
Chemical FormulaC13H12N2OS
Molecular Mass244.067
SMILESOc1ccc(NC(=S)Nc2ccccc2)cc1
InChI KeyPWLPSXPCUHUSAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass n-phenylthioureas
Direct Parent n-phenylthioureas
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • thioureas
  • Substituents
  • thiourea
  • n-phenylthiourea
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound