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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:11 UTC
Update Date2025-03-25 00:59:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236020
Frequency0.5
Structure
Chemical FormulaC16H15N3O3
Molecular Mass297.1113
SMILESCOc1ccc(C2(c3ccc(O)cc3)N=C(O)N=C2N)cc1
InChI KeyNAEGRQUQMFXBNA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • amidines
  • anisoles
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • diphenylmethane
  • phenol ether
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • amidine
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound