input word = C00036848

Metabolite InformationStructural formula
Name Buxahejramine
Formula C32H54N2O3
Mw 514.4134436
CAS RN 398477-72-0
C_ID C00036848 ,
InChIKey OGGNNGIHZJAPJR-OCGLUSGYNA-N
InChICode InChI=1S/C32H54N2O3/c1-9-20(2)28(36)29(37)33-27-13-10-22-18-23-14-16-31(5)24(21(3)34(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,9-13,15-17,19H2,1-8H3,(H,33,37)/t20-,21+,24+,25+,26+,27-,28-,30-,31+,32-/m0/s1
SMILES CCC(C)[C@H](O)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus papillosa Ref.
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