Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:25 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202192
Frequency0.5
Structure
Chemical FormulaC12H17NO2S2
Molecular Mass271.0701
SMILESCS(=O)CCCCNC(=S)Oc1ccccc1
InChI KeyTZJLINUXVRCUGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxy compounds
Direct Parent phenoxy compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • sulfoxides
  • thiocarbamic acid esters
  • Substituents
  • thiocarbamic acid ester
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound