input word = C00027694

Metabolite InformationStructural formula
Name 16alpha-Acetoxybuxabenzamidienine
Formula C35H50N2O3
Mw 546.38214348
CAS RN 107259-39-2
C_ID C00027694 ,
InChIKey OMCZFOUSFSIOAM-PUDVIVQWNA-N
InChICode InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1
SMILES C1=C2[C@@H](CC[C@@H]3C1=CC[C@]1([C@]3(C[C@H]([C@@H]1[C@H](C)N(C)C)OC(=O)C)C)C)C([C@H](CC2)NC(=O)c1ccccc1)(C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus longifolia Boiss Ref.
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