input word = C00028687

Metabolite InformationStructural formula
Name Nigellidine
Formula C18H18N2O2
Mw 294.13682783
CAS RN 120993-86-4
C_ID C00028687 ,
InChIKey HJKNBAAMIKPHJF-UHFFFAOYSA-N
InChICode InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3
SMILES c12c(n3n(c1c1ccc(cc1)O)CCCC3)cc(cc2=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella sativa Ref.
zoom in



OrganismNigella sativa
ReferenceAtta-ur-Rahman,Tetrahedron Lett.,36,(1995),1993