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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:42 UTC
Update Date2025-03-25 00:53:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200593
Frequency0.5
Structure
Chemical FormulaC14H14N2OS
Molecular Mass258.0827
SMILESCOc1ccc(C2CNc3cccnc3S2)cc1
InChI KeyVVFAYDHBUFOPIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • 2-halopyridines
  • alkyl aryl ethers
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methoxybenzenes
  • methylpyridines
  • organopnictogen compounds
  • phenoxy compounds
  • polyhalopyridines
  • secondary alkylarylamines
    • Substituents
  • monocyclic benzene moiety
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • alkylarylthioether
  • aryl thioether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • organoheterocyclic compound
  • para-thiazine
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • methoxybenzene
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • thioether
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound