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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 IDDMID02154570
Frequency0.5
Structure
Chemical FormulaC12H17N3O
Molecular Mass219.1372
SMILESCOc1ccc(C2(C)CCNC(N)=N2)cc1
InChI KeyRCANUFWQELFELP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • hydropyrimidines
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • 1,4,5,6-tetrahydropyrimidine
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • alkyl aryl ether
  • methoxybenzene
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound