input word = C00026183

Metabolite InformationStructural formula
Name Acetylspartioidine
O-Acetylspartioidine
Spartioidine acetate
Formula C20H25NO6
Mw 375.16818754
CAS RN 173142-98-8
C_ID C00026183 ,
InChIKey CTCKXBIRQMSUIU-PDBZEWSFNA-N
InChICode InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5+/t16-,17-,20+/m1/s1
SMILES C1C=C2[C@H]3N1CC[C@H]3OC(=O)/C(=C/C)/CC(=C)[C@](C(=O)OC2)(C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio pterophorus Ref.
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