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=C(C)[C@@]1(O)[C@H](OC(=O)/C=C/C=C/CCCCCCCCC)[C@@H]2[C@@H]3O[C@]3(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]3[C@@]2(O)[C@H](C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
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