input word = C00049030

Metabolite InformationStructural formula
Name Wikstroelide D
(+)-Wikstroelide D
Formula C52H80O11
Mw 880.5700634
CAS RN 188435-99-6
C_ID C00049030 ,
InChIKey CQAGSPJZGPVEHB-JHQFQQHANA-N
InChICode InChI=1S/C52H80O11/c1-8-10-12-14-16-18-20-21-22-24-26-28-30-32-41(54)58-35-48-45(60-48)42-46-51(36(3)4)44(59-39(7)53)38(6)52(42,40-34-37(5)43(55)50(40,57)47(48)56)63-49(61-46,62-51)33-31-29-27-25-23-19-17-15-13-11-9-2/h27,29,31,33-34,38,40,42,44-47,56-57H,3,8-26,28,30,32,35H2,1-2,4-7H3/b29-27+,33-31+/t38-,40-,42+,44-,45+,46-,47-,48+,49-,50-,51+,52+/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)CCCCCCCCCCCCCCC)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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