input word = C00027461

Metabolite InformationStructural formula
Name Paliurine A
Formula C37H51N5O6
Mw 661.3839344
CAS RN 298183-94-5
C_ID C00027461 ,
InChIKey IQWOZPMCQYCQOS-PUQUMYRWNA-N
InChICode InChI=1S/C37H51N5O6/c1-8-23(3)31-34(43)38-19-17-26-22-27(15-16-29(26)47-7)48-30-18-20-42(33(30)36(45)40-31)37(46)28(21-25-13-11-10-12-14-25)39-35(44)32(41(5)6)24(4)9-2/h10-17,19,22-24,28,30-33H,8-9,18,20-21H2,1-7H3,(H,38,43)(H,39,44)(H,40,45)/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](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)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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