input word = C00028688

Metabolite InformationStructural formula
Name Nigellimine
Formula C12H13NO2
Mw 203.09462867
CAS RN 4594-02-9
C_ID C00028688 ,
InChIKey VBMZFACBWDZUSM-UHFFFAOYSA-N
InChICode InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
SMILES c1(c(cc2c(c1)c(ncc2)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella sativa Ref.
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OrganismNigella sativa
ReferenceAtta-ur-Rahman,J.Nat.Prod.,55,(1992),676