input word = C00045479

Metabolite InformationStructural formula
Name (+)-Nepapakistamine A
Formula C31H48N2O5
Mw 528.35632266
CAS RN 353228-47-4
C_ID C00045479 ,
InChIKey RDGDPUWHVFLIIR-ULMHNFMSNA-N
InChICode InChI=1S/C31H48N2O5/c1-9-17(2)29(36)33-27-26(37-19(4)34)16-31(7)24-14-15-30(6)22(18(3)32-8)12-13-23(30)21(24)10-11-25(31)28(27)38-20(5)35/h9,12,18,21,23-28,32H,10-11,13-16H2,1-8H3,(H,33,36)/b17-9+/t18-,21-,23-,24-,25-,26-,27-,28+,30+,31+/m0/s1
SMILES C/C=C(C)C(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)C([C@H](C)NC)=CC[C@@H]34)[C@@]2(C)C[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeSarcococca coriacea Ref.
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