input word = C00025485

Metabolite InformationStructural formula
Name Buxozine C
Formula C27H46N2O
Mw 414.3610141
CAS RN 64938-84-7
C_ID C00025485 ,
InChIKey IBBJBVLTEQHUQV-XSSCSVALNA-N
InChICode InChI=1S/C27H46N2O/c1-17-22-18(30-16-29(17)7)14-25(5)20-9-8-19-23(2,3)21(28-6)10-11-26(19)15-27(20,26)13-12-24(22,25)4/h17-22,28H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@@H]1[C@@H](C2)OCN([C@H]1C)C)C)C)C3)(C)C)NC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus sempervirens Ref.
zoom in