input word = C00025468

Metabolite InformationStructural formula
Name (+)-Buxabenzamidienine
Formula C33H48N2O
Mw 488.37666417
CAS RN 107259-38-1
C_ID C00025468 ,
InChIKey PDEYVCIISSAEBG-UECJVQBINA-N
InChICode InChI=1S/C33H48N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-12,17,21-22,26-29H,13-16,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1
SMILES C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papilosa Ref.
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