input word = C00049027

Metabolite InformationStructural formula
Name Wikstroelide A
(+)-Wikstroelide A
Formula C36H50O10
Mw 642.34039782
CAS RN 73061-92-4
C_ID C00049027 ,
InChIKey ADIURPPZKNTYEV-CZTBCWKBNA-N
InChICode InChI=1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1
SMILES [C@]12(O[C@@H]3[C@H]4[C@@]([C@H]5[C@]([C@@H]([C@@]6([C@H]4O6)CO)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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