input word = C00040144

Metabolite InformationStructural formula
Name Rediocide D
Formula C46H54O13
Mw 814.35644181
CAS RN 67727799-5
C_ID C00040144 ,
InChIKey GBKHBDSGKZALFY-FMQUCBEENA-N
InChICode InChI=1S/C46H54O13/c1-23-21-30-43(51)35(23)54-31(47)20-19-29-34(53-29)33(55-39(48)27-11-7-5-8-12-27)26-17-15-25(16-18-26)22-41(3,50)45(52)36-24(2)44(30)32(37-42(4,56-37)40(43)49)38(45)58-46(57-36,59-44)28-13-9-6-10-14-28/h5-14,19-20,23-26,29-30,32-38,40,49-52H,15-18,21-22H2,1-4H3/b20-19+/t23-,24-,25-,26-,29-,30-,32+,33+,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([C@@H]3C)O1)C[C@H]([C@H]7OC(=O)/C=C/[C@@H]1[C@H](O1)[C@H]([C@H]1CC[C@H](C[C@]4(O)C)CC1)OC(=O)c1ccccc1)C)O)O)(O6)C)O2)O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon reidioides Craib Ref.
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