input word = C00041878

Metabolite InformationStructural formula
Name Spinosyn A
(-)-Spinosyn A
Formula C41H65NO10
Mw 731.4608473
CAS RN 131929-60-7
C_ID C00041878 ,
InChIKey SRJQTHAZUNRMPR-SBOQKJDQNA-N
InChICode InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25+,26+,27+,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1
SMILES C1CC[C@@H](OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C[C@@H]2[C@H]3C[C@H](C2)O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2OC)OC)OC)C)C(=O)[C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H](CC1)N(C)C)C)C)CC
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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