input word = C00025465

Metabolite InformationStructural formula
Name (-)-Buxapapinolamine
Formula C35H48N2O5
Mw 576.35632266
CAS RN 113762-73-5
C_ID C00025465 ,
InChIKey VYNQRHYSCBDBNY-PSZFAXMVNA-N
InChICode InChI=1S/C35H48N2O5/c1-21(37(6)7)30-28(42-22(2)39)19-35(5)26-18-27(40)31-25(17-24(26)15-16-34(30,35)4)13-14-29(33(31,3)20-38)36-32(41)23-11-9-8-10-12-23/h8-13,15,20-21,26-31,40H,14,16-19H2,1-7H3,(H,36,41)/t21-,26+,27-,28+,29-,30-,31-,33-,34+,35-/m0/s1
SMILES [C@@H]1(CC=C2[C@H]([C@]1(C=O)C)[C@H](C[C@@H]1C(=CC[C@]3([C@]1(C[C@H]([C@@H]3[C@H](C)N(C)C)OC(=O)C)C)C)C2)O)NC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papilosa Ref.
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