input word = C00031147

Metabolite InformationStructural formula
Name Rediocide G
Formula C46H54O13
Mw 814.35644181
CAS RN 872353-41-8
C_ID C00031147 ,
InChIKey VAEBJJRRTFBWLJ-VRNBXGKJNA-N
InChICode InChI=1S/C46H54O13/c1-25-22-32-43(52)35(25)55-33(48)17-11-10-16-31(54-39(49)29-12-6-4-7-13-29)28-20-18-27(19-21-28)23-41(3,51)45(53)36-26(2)44(32)34(37-42(24-47,56-37)40(43)50)38(45)58-46(57-36,59-44)30-14-8-5-9-15-30/h4-17,25-28,31-32,34-38,40,47,50-53H,18-24H2,1-3H3/b16-10-,17-11+/t25-,26+,27-,28+,31-,32-,34-,35-,36-,37-,38+,40-,41-,42-,43-,44-,45-,46-/m1/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)C[C@H]([C@H]7OC(=O)/C=C/C=C\[C@H]([C@@H]1CC[C@H](C[C@@]4(C)O)CC1)OC(=O)c1ccccc1)C)O)O)(O6)CO)O2)O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon reidioides Ref.
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