input word = C00025477

Metabolite InformationStructural formula
Name Buxamine B
N20-Methylbuxamine E
Formula C27H46N2
Mw 398.36609948
CAS RN 76186-32-8
C_ID C00025477 ,
InChIKey ZKQCFKWMWXFCIU-JKXISPGVNA-N
InChICode InChI=1S/C27H46N2/c1-18(28-6)21-14-16-27(5)23-11-10-22-19(17-20(23)13-15-26(21,27)4)9-12-24(29(7)8)25(22,2)3/h13,17-18,21-24,28H,9-12,14-16H2,1-8H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1
SMILES [C@@H]1(CCC2=CC3=CC[C@]4([C@]([C@@H]3CC[C@H]2C1(C)C)(CC[C@@H]4[C@H](C)NC)C)C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus harlandi Ref.
PlantaeBuxaceaeBuxus papilosa Ref.
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