Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:26 UTC
Update Date2025-03-21 18:03:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046826
Frequency71.3
Structure
Chemical FormulaC9H13NS
Molecular Mass167.0769
SMILESNC(CS)Cc1ccccc1
InChI KeyBUAPSNKVPWEGPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkylthiols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • Substituents
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organosulfur compound
  • alkylthiol
  • amphetamine or derivatives