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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:27 UTC
Update Date2025-03-25 01:01:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248142
Frequency0.5
Structure
Chemical FormulaC14H19NOS2
Molecular Mass281.0908
SMILESCc1cccc(C)c1NC(=O)CCC1CCSS1
InChI KeyYKUQZFFDWRMRDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-dithiolanes
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • n-arylamides
  • organic disulfides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • m-xylenes
    • Substituents
  • fatty acyl
  • carbonyl group
  • aromatic heteromonocyclic compound
  • fatty amide
  • n-arylamide
  • carboxylic acid derivative
  • 1,2-dithiolane
  • xylene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • m-xylene
  • carboxamide group
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dithiolane
  • organic disulfide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound