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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:18 UTC
Update Date2025-03-21 18:07:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067648
Frequency44.9
Structure
Chemical FormulaC12H12N2OS
Molecular Mass232.067
SMILESCOc1ccc2[nH]cc(CCN=C=S)c2c1
InChI KeyNXNJINJDHJRFFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • phenol ether
  • isothiocyanate
  • ether
  • azacycle
  • indole
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound