input word = C00057709

Metabolite InformationStructural formula
Name Nigellimine N-oxide
Formula C12H13NO3
Mw 219.08954329
CAS RN 96562-85-5
C_ID C00057709
InChIKey GVQWAJKTFATJEW-UHFFFAOYSA-N
InChICode InChI=1S/C12H13NO3/c1-8-10-7-12(16-3)11(15-2)6-9(10)4-5-13(8)14/h4-7H,1-3H3
SMILES COc1cc2cc[n+]([O-])c(C)c2cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella sativa Ref.
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