input word = C00041879

Metabolite InformationStructural formula
Name Spinosyn B
Formula C40H63NO10
Mw 717.44519724
CAS RN 131929-61-8
C_ID C00041879 ,
InChIKey VESRDXZDAAOUHS-YAHPUIGINA-N
InChICode InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24+,25+,26+,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1
SMILES CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--PseudonocardiaceaeSaccharopolyspora spinosa Ref.
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