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Showing information for DMID02437680

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:42:21 UTC
Update Date2025-03-25 01:32:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02437680
Frequency0.5
Structure
Chemical FormulaC6H7NS
Molecular Mass125.0299
SMILESS=C=NC1CC=CC1
InChI KeyADVUKQADECVWSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • isothiocyanate
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • propargyl-type 1,3-dipolar organic compound