input word = C00002112

Metabolite InformationStructural formula
Name Rosmarinine
Formula C18H27NO6
Mw 353.1838376
CAS RN 520-65-0
C_ID C00002112 ,
InChIKey YEXVXKIMPBHRQR-DYFSRLHXNA-N
InChICode InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-/m1/s1
SMILES [C@@H]12N3C[C@H]([C@@H]1COC(=O)[C@]([C@@H](C/C(=C\C)/C(=O)O[C@@H]2CC3)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio rosmarinifolius Ref.
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