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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:38 UTC
Update Date2025-03-25 00:53:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200435
Frequency0.5
Structure
Chemical FormulaC14H13NO2
Molecular Mass227.0946
SMILESCOc1ccc(C=Nc2ccc(O)cc2)cc1
InChI KeyYONXPYGTYHMKDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aldimines
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • alkyl aryl ether
  • methoxybenzene
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • aldimine
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound