input word = C00027463

Metabolite InformationStructural formula
Name Paliurine C
(-)-Paliurine C
Formula C37H51N5O6
Mw 661.3839344
CAS RN 298183-95-6
C_ID C00027463 ,
InChIKey POEQHGHIJHCNFK-PUQUMYRWNA-N
InChICode InChI=1S/C37H51N5O6/c1-8-23(3)31-35(44)38-19-17-26-22-27(15-16-29(26)47-7)48-30-18-20-42(33(30)36(45)39-31)37(46)32(24(4)9-2)40-34(43)28(41(5)6)21-25-13-11-10-12-14-25/h10-17,19,22-24,28,30-33H,8-9,18,20-21H2,1-7H3,(H,38,44)(H,39,45)(H,40,43)/b19-17+/t23-,24-,28-,30-,31-,32-,33-/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)N(C)C)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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