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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:37 UTC
Update Date2025-03-25 00:49:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177656
Frequency0.5
Structure
Chemical FormulaC14H11NS
Molecular Mass225.0612
SMILESS=C=NC(c1ccccc1)c1ccccc1
InChI KeyWDOSFTZMBFYTED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diphenylmethane
  • isothiocyanate
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound