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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:04 UTC
Update Date2025-03-21 18:04:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048293
Frequency68.7
Structure
Chemical FormulaC8H7NO2
Molecular Mass149.0477
SMILESCOc1ccc(O)c(C#N)c1
InChI KeyZFKRGDMEHBTPFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • anisoles
  • benzonitriles
  • hydrocarbon derivatives
  • methoxybenzenes
  • nitriles
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 4-alkoxyphenol
  • ether
  • nitrile
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • benzonitrile
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • carbonitrile
  • organooxygen compound