input word = C00025522

Metabolite InformationStructural formula
Name N-Benzoylbuxodienine E
Formula C33H48N2O2
Mw 504.37157879
CAS RN 49776-67-2
C_ID C00025522 ,
InChIKey WZFBYWXOERTQBK-MWXINFEJNA-N
InChICode InChI=1S/C33H48N2O2/c1-21(34-30(37)22-11-9-8-10-12-22)29-27(36)20-33(5)26-15-14-25-23(19-24(26)17-18-32(29,33)4)13-16-28(35(6)7)31(25,2)3/h8-12,17,19,21,25-29,36H,13-16,18,20H2,1-7H3,(H,34,37)/t21-,25+,26+,27+,28-,29-,32+,33-/m0/s1
SMILES [C@@H]1(CCC2=CC3=CC[C@]4([C@]([C@@H]3CC[C@H]2C1(C)C)(C[C@H]([C@@H]4[C@H](C)NC(=O)c1ccccc1)O)C)C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus sempervirens Ref.
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