input word = C00035363

Metabolite InformationStructural formula
Name Peregrinine
Formula C24H55NO6
Mw 453.4029385
CAS RN 168010-53-5
C_ID C00035363 ,
InChIKey VOXUPDHYBHIXPH-ALUJKPCHNA-N
InChICode InChI=1S/C24H35NO6/c1-11(26)31-19-17-21-24(15(29-4)6-7-22(2,10-25-21)20(19)24)13-8-12-14(28-3)9-23(17,30-5)16(13)18(12)27/h10,12-21,27H,6-9H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19+,20-,21-,22+,23+,24+/m1/s1
SMILES CO[C@H]1C[C@]2(OC)C3C4N=C[C@]5(C)CC[C@H](OC)C4([C@@H]4C[C@H]1[C@H](O)[C@@H]42)[C@@H]5[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium velutinum Ref.
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