input word = C00002096

Metabolite InformationStructural formula
Name Jacobine
Formula C18H25NO6
Mw 351.16818754
CAS RN 6870-67-3
C_ID C00002096 ,
InChIKey IAPHXJRHXBQDQJ-AZPJPCTMNA-N
InChICode InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1
SMILES [C@@H]12N3CC=C1COC(=O)[C@]([C@@H](C[C@@]1(C(=O)O[C@@H]2CC3)[C@H](C)O1)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio alpinus Ref.
PlantaeAsteraceaeSenecio cineraria Ref.
PlantaeAsteraceaeSenecio cneraria Ref.
PlantaeAsteraceaeSenecio crucifolia Ref.
PlantaeAsteraceaeSenecio incarnus Ref.
PlantaeAsteraceaeSenecio jacobaea Ref.
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