input word = C00025478

Metabolite InformationStructural formula
Name Buxamine C
Formula C27H46N2
Mw 398.36609948
CAS RN 51059-62-2
C_ID C00025478 ,
InChIKey VSOMBMILGWLJQZ-JKXISPGVNA-N
InChICode InChI=1S/C27H46N2/c1-18(29(7)8)21-14-16-27(5)23-11-10-22-19(9-12-24(28-6)25(22,2)3)17-20(23)13-15-26(21,27)4/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)N(C)C)C)C)NC
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papilosa Ref.
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