input word = C00036850

Metabolite InformationStructural formula
Name Buxakashmiramine
Formula C36H56N2O5
Mw 596.41892291
CAS RN 398477-70-8
C_ID C00036850 ,
InChIKey HIEGBZPNSCMIJU-OLJYSDQONA-N
InChICode InChI=1S/C36H56N2O5/c1-22(37(5)6)24-12-14-34(4)28-11-10-27-32(2,21-39)29(13-15-35(27)20-36(28,35)17-16-33(24,34)3)38(7)31(41)23-18-25(42-8)30(40)26(19-23)43-9/h18-19,22,24,27-29,39-40H,10-17,20-21H2,1-9H3/t22-,24+,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1
SMILES COc1cc(C(=O)N(C)C2CC[C@]34C[C@]35CC[C@]3(C)[C@@H](C(C)N(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papillosa Ref.
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