input word = C00036849

Metabolite InformationStructural formula
Name Buxakarachiamine
Formula C32H54N2O3
Mw 514.4134436
CAS RN 398477-71-9
C_ID C00036849 ,
InChIKey WQUVNLRFMHVSNA-ISUHRYGYNA-N
InChICode InChI=1S/C32H54N2O3/c1-20(2)28(36)29(37)34(9)27-13-10-22-18-23-14-16-31(5)24(21(3)33(7)8)15-17-32(31,6)26(23)12-11-25(22)30(27,4)19-35/h14,18,20-21,24-28,35-36H,10-13,15-17,19H2,1-9H3/t21-,24-,25-,26-,27+,28+,30+,31-,32+/m1/s1
SMILES C1=C2[C@@H](CC[C@@H]3C1=CC[C@]1([C@]3(CC[C@@H]1[C@H](N(C)C)C)C)C)[C@@]([C@H](CC2)N(C(=O)[C@H](C(C)C)O)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papillosa Ref.
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