input word = C00031146

Metabolite InformationStructural formula
Name Rediocide F
Formula C45H52O13
Mw 800.34079175
CAS RN 853245-74-6
C_ID C00031146 ,
InChIKey IXYFWJDPNIHVPG-VRNBXGKJNA-N
InChICode InChI=1S/C45H52O13/c1-24-27-18-19-29(24)30(53-38(48)26-12-6-4-7-13-26)16-10-11-17-33(47)54-32-21-20-31-42(32,51)39(49)41(23-46)36(55-41)34-37-44(52,40(3,50)22-27)35-25(2)43(31,34)58-45(56-35,57-37)28-14-8-5-9-15-28/h4-17,24-25,27,29-32,34-37,39,46,49-52H,18-23H2,1-3H3/b16-10-,17-11+/t24-,25+,27-,29-,30+,31-,32-,34-,35-,36-,37+,39-,40+,41-,42-,43-,44-,45-/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)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)c1ccccc1)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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