input word = C00055106

Metabolite InformationStructural formula
Name Brussalexin A
Formula C13H14N2OS
Mw 246.08268381
CAS RN 940005-53-8
C_ID C00055106
InChIKey OBOJQFIBBALTIN-UHFFFAOYSA-N
InChICode InChI=1S/C13H14N2OS/c1-2-7-14-13(16)17-9-10-8-15-12-6-4-3-5-11(10)12/h2-6,8,15H,1,7,9H2,(H,14,16)
SMILES O=C(NCC=C)SCC1=CNC2=CC=CC=C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea var. gemmifera Ref.
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