Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:38 UTC
Update Date2025-03-21 18:35:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107001
Frequency25.1
Structure
Chemical FormulaC6H7NOS
Molecular Mass141.0248
SMILESNC(=O)Cc1cccs1
InChI KeyUUPZTFTUZUQRQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • thiophenes
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • thiophene
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound