Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:31 UTC
Update Date2025-03-25 00:55:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214116
Frequency0.5
Structure
Chemical FormulaC13H19NOS
Molecular Mass237.1187
SMILESCCCCOC(=S)Nc1c(C)cccc1C
InChI KeyAAKIOJOWFQINEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass xylenes
Direct Parent m-xylenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • thiocarbamic acid esters
  • Substituents
  • m-xylene
  • thiocarbamic acid ester
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound