input word = C00026209

Metabolite InformationStructural formula
Name Jacoline
Formula C18H27NO7
Mw 369.17875222
CAS RN 480-76-2
C_ID C00026209 ,
InChIKey FMWJEBGSMAOQNN-UHFFFAOYNA-N
InChICode InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11+,13-,14-,17+,18+/m1/s1
SMILES C1C[C@@H]2[C@@H]3N1CC=C3COC(=O)[C@]([C@@H](C[C@@](C(=O)O2)([C@H](C)O)O)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio jacobaea L. Ref.
PlantaeAsteraceaeSenecio pseudo-orientalis Ref.
zoom in