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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:27:40 UTC
Update Date2025-03-24 20:20:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01413464
Frequency0.9
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCOc1cc(N)ccc1N
InChI KeyHGUYBLVGLMAUFF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • primary amines
    • Substituents
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound