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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:27 UTC
Update Date2025-03-25 00:46:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154554
Frequency0.5
Structure
Chemical FormulaC11H14N2O
Molecular Mass190.1106
SMILESCOc1ccc(C2=NCCCN2)cc1
InChI KeyGIEKQBSDGMDXJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amidines
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • hydropyrimidines
  • imidolactams
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • amidine
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • 1,4,5,6-tetrahydropyrimidine
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound