Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:16:58 UTC
Update Date2025-03-24 16:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00955201
Frequency1.5
Structure
Chemical FormulaC6H9NOS
Molecular Mass143.0405
SMILESNCc1ccc(CO)s1
InChI KeyVFHIONCMFXMBCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiophenes
Subclass 2,5-disubstituted thiophenes
Direct Parent 2,5-disubstituted thiophenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • 2,5-disubstituted thiophene
  • alcohol
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound