input word = C00025489

Metabolite InformationStructural formula
Name Cyclobuxupaline C
Formula C27H46N2
Mw 398.36609948
CAS RN 51059-60-0
C_ID C00025489 ,
InChIKey RCWXSTBLDOWACH-OKAFCYQONA-N
InChICode InChI=1S/C27H46N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h9-10,18-22,28H,11-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1
SMILES CNC1CCC23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4C=C[C@H]3C1(C)C
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papilosa Ref.
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