input word = C00031145

Metabolite InformationStructural formula
Name Rediocide E
Formula C43H56O13
Mw 780.37209188
CAS RN 677278-00-1
C_ID C00031145 ,
InChIKey UODIWJVJVFGUNV-YCRUPXPONA-N
InChICode InChI=1S/C43H56O13/c1-6-22(2)36(46)51-28-14-10-11-15-31(45)52-30-19-18-29-40(30,49)37(47)39(21-44)34(53-39)32-35-42(50,38(5,48)20-25-16-17-27(28)23(25)3)33-24(4)41(29,32)56-43(54-33,55-35)26-12-8-7-9-13-26/h7-15,22-25,27-30,32-35,37,44,47-50H,6,16-21H2,1-5H3/b14-10-,15-11+/t22-,23+,24+,25-,27+,28-,29-,30-,32-,33-,34-,35+,37+,38-,39-,40+,41-,42-,43-/m0/s1
SMILES [C@]12(O[C@@H]3[C@@]4([C@@H]([C@@H]5[C@H]6[C@@]([C@H]([C@]7([C@@H]([C@@]5(O1)[C@@H]3C)CC[C@@H]7OC(=O)/C=C/C=C\[C@@H]([C@@H]1CC[C@H]([C@H]1C)C[C@]4(C)O)OC(=O)[C@@H](C)CC)O)O)(O6)CO)O2)O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon reidioides (KURZ) Ref.
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