input word = C00028686

Metabolite InformationStructural formula
Name Nigellicine
Formula C13H14N2O3
Mw 246.10044233
CAS RN 98063-20-8
C_ID C00028686 ,
InChIKey FEJTUHSIRAJLOJ-UHFFFAOYSA-N
InChICode InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)
SMILES c12c([n+]3n(c1C(=O)[O-])CCCC3)cc(cc2O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeNigella sativa Ref.
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