Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:23 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202131
Frequency0.5
Structure
Chemical FormulaC10H15NOS
Molecular Mass197.0874
SMILESCS(=O)CCNCc1ccccc1
InChI KeyZFEBBXPGTVVZJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfinyl compounds
  • sulfoxides
  • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • secondary amine
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine