input word = C00031144

Metabolite InformationStructural formula
Name Rediocide C
Formula C46H54O13
Mw 814.35644181
CAS RN 677277-98-4
C_ID C00031144 ,
InChIKey ZDIWBBJUVBDSOV-MJZABRMRNA-N
InChICode InChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11-,18-12+/t24-,25+,26+,28+,30+,31-,32+,34+,35-,36+,37+,38-,40-,41+,42+,43-,44+,45-,46+/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)C[C@@H]([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)c1ccccc1)C)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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