Met005698: Iso-Olomoucine

  Metabolite Information

Name
Iso-Olomoucine
IUPAC Name
2-[[6-(benzylamino)-7-methylpurin-2-yl]amino]ethanol
Molecular Formula
C15H18N6O
Molecular Weight
298.34
Exact Mass
298.1542092
SMILES
CN1C=NC2=C1C(=NC(=N2)NCCO)NCC3=CC=CC=C3
InChIKey
WOQKMUDQRKXVLO-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N6O/c1-21-10-18-14-12(21)13(19-15(20-14)16-7-8-22)17-9-11-5-3-2-4-6-11/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
Other Databases Link
PubChem:512292

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organoheterocyclic compounds
        Class: Imidazopyrimidines
            Subclass: Purines and purine derivatives

  Crops containing this metabolite

astragalus

  Metabolite Spectrum Accession Label

AS00695n