input word = C00025470

Metabolite InformationStructural formula
Name (+)-Buxanoldine
Formula C35H50N2O4
Mw 562.3770581
CAS RN 128351-96-2
C_ID C00025470 ,
InChIKey YYLUVJFVBCVWGQ-XEIFZEHUNA-N
InChICode InChI=1S/C35H50N2O4/c1-22(37(6)7)31-29(39)20-35(5)28-15-14-27-25(19-26(28)17-18-34(31,35)4)13-16-30(33(27,3)21-41-23(2)38)36-32(40)24-11-9-8-10-12-24/h8-13,17,22,27-31,39H,14-16,18-21H2,1-7H3,(H,36,40)/t22-,27+,28+,29+,30-,31-,33+,34+,35-/m0/s1
SMILES CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CC=C2CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papilosa Ref.
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