input word = C00026225

Metabolite InformationStructural formula
Name Rosmarinine-2-acetate
2-O-Acetylrosmarinine
Formula C20H29NO7
Mw 395.19440229
CAS RN 137760-53-3
C_ID C00026225 ,
InChIKey FUOIHFZKSQBMKK-JFLBDHFLNA-N
InChICode InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14+,15-,16-,17-,20-/m1/s1
SMILES C1C[C@@H]2[C@@H]3N1C[C@H]([C@@H]3COC(=O)[C@@]([C@@H](C/C(=C/C)/C(=O)O2)C)(O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio linifolius Ref.
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OrganismSenecio linifolius
ReferenceLiddell,Nat.Prod.Rep.,14,(1997),653