input word = C00027464

Metabolite InformationStructural formula
Name Paliurine D
(-)-Paliurine D
Formula C36H49N5O6
Mw 647.36828433
CAS RN 298183-96-7
C_ID C00027464 ,
InChIKey UMSTZRFDOWEQFS-NQCPVILXNA-N
InChICode InChI=1S/C36H49N5O6/c1-7-22(3)30-34(43)38-18-16-25-21-26(14-15-28(25)46-6)47-29-17-19-41(32(29)35(44)39-30)36(45)31(23(4)8-2)40-33(42)27(37-5)20-24-12-10-9-11-13-24/h9-16,18,21-23,27,29-32,37H,7-8,17,19-20H2,1-6H3,(H,38,43)(H,39,44)(H,40,42)/b18-16+/t22-,23-,27-,29-,30-,31-,32-/m0/s1
SMILES c12c(ccc(c1)O[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N/C=C/2)[C@H](CC)C)N(CC1)C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccccc1)NC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaePaliurus ramosissimus Ref.
PlantaeRhamnaceaePaliurus ramossisimus Ref.
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