input word = C00028742

Metabolite InformationStructural formula
Name Nummularine P
Formula C29H43N5O6
Mw 557.32133414
CAS RN 110187-25-2
C_ID C00028742 ,
InChIKey NKLZPEVECPMIRX-ACCUITESNA-N
InChICode InChI=1S/C29H43N5O6/c1-8-17(4)24-27(36)31-13-11-19-15-20(9-10-21(19)39-7)40-22-12-14-34(25(22)28(37)33-24)29(38)23(16(2)3)32-26(35)18(5)30-6/h9-11,13,15-18,22-25,30H,8,12,14H2,1-7H3,(H,31,36)(H,32,35)(H,33,37)/b13-11+/t17-,18-,22+,23-,24-,25-/m1/s1
SMILES [C@@H]1(NC(=O)[C@H]2[C@@H](Oc3cc(/C=C/NC1=O)c(cc3)OC)CCN2C(=O)[C@H](NC(=O)[C@H](NC)C)C(C)C)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus nummularia Ref.
zoom in



OrganismZiziphus nummularia
ReferenceTripathi,Phytochem.,28,(1989),1563