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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:11:50 UTC
Update Date2025-03-21 18:32:20 UTC
HMDB IDHMDB0031577
Metabolite Identification
DeepMet IDDMID00090355
NameBerteroin
Frequency31.2
Structure
Chemical FormulaC7H13NS2
Molecular Mass175.0489
SMILESCSCCCCCN=C=S
InChI KeyHBVIMVJTUQNSEP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • sulfenyl compound
  • dialkylthioether
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound