input word = C00049034

Metabolite InformationStructural formula
Name Wikstroelide J
Formula C36H52O11
Mw 660.3509625
CAS RN 206193-11-5
C_ID C00049034 ,
InChIKey KBVXOECUNSNMHD-TZVKHBPTNA-N
InChICode InChI=1S/C36H52O11/c1-7-8-9-10-11-12-13-14-15-16-17-18-26(39)46-31-27-30-33(20-37,47-30)32(41)36(44)25(19-22(4)28(36)40)35(27,43)23(5)29(45-24(6)38)34(31,42)21(2)3/h15-19,23,25,27,29-32,37,41-44H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25+,27+,29-,30+,31-,32-,33+,34+,35+,36-/m1/s1
SMILES C(=O)(O[C@@H]1[C@H]2[C@@]([C@H]3[C@]([C@@H]([C@@]4([C@H]2O4)CO)O)(C(=O)C(=C3)C)O)([C@@H]([C@H]([C@@]1(O)C(=C)C)OC(=O)C)C)O)/C=C/C=C/CCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
zoom in