input word = C00051698

Metabolite InformationStructural formula
Name N-Isobutyroylbuxahyrcanine
Formula C30H52N2O2
Mw 472.40287892
CAS RN 552291-03-9
C_ID C00051698
InChIKey UVQXQFGAJCSURO-NNDOIQOPNA-N
InChICode InChI=1S/C30H52N2O2/c1-19(2)26(33)31-25-14-17-30(34)18-21-12-15-28(6)22(20(3)32(8)9)13-16-29(28,7)23(21)10-11-24(30)27(25,4)5/h12,19-20,22-25,34H,10-11,13-18H2,1-9H3,(H,31,33)/t20-,22+,23+,24-,25-,28+,29-,30-/m0/s1
SMILES CC(C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus hyrcana Ref.
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