input word = C00049029

Metabolite InformationStructural formula
Name Wikstroelide C
(+)-Wikstroelide C
Formula C51H76O11
Mw 864.53876327
CAS RN 188435-97-4
C_ID C00049029 ,
InChIKey YUDODVIHLKUPET-PJQJYIFONA-N
InChICode InChI=1S/C51H76O11/c1-8-10-12-14-16-18-20-21-23-25-27-29-31-40(53)57-34-47-44(59-47)41-45-50(35(3)4)43(58-38(7)52)37(6)51(41,39-33-36(5)42(54)49(39,56)46(47)55)62-48(60-45,61-50)32-30-28-26-24-22-19-17-15-13-11-9-2/h23,25-26,28,30,32-33,37,39,41,43-46,55-56H,3,8-22,24,27,29,31,34H2,1-2,4-7H3/b25-23+,28-26+,32-30+/t37-,39-,41+,43-,44+,45-,46-,47+,48-,49-,50+,51+/m1/s1
SMILES [C@]12(O[C@@H]3[C@H]4[C@@]([C@H]5[C@]([C@@H]([C@@]6([C@H]4O6)COC(=O)CCC/C=C/CCCCCCCCC)O)(C(=O)C(=C5)C)O)([C@@H]([C@H]([C@@]3(O1)C(=C)C)OC(=O)C)C)O2)/C=C/C=C/CCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
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