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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:28 UTC
Update Date2025-03-25 00:50:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179574
Frequency0.5
Structure
Chemical FormulaC14H18N2OS
Molecular Mass262.114
SMILESCS(=O)CCCCN=Cc1c[nH]c2ccccc12
InChI KeyOLOBVWZNNNLZIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aldimines
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • azacycle
  • indole
  • imine
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • aldimine
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound