input word = C00049036

Metabolite InformationStructural formula
Name Wikstroelide N
(+)-Wikstroelide N
Formula C35H52O9
Mw 616.36113326
CAS RN 206193-14-8
C_ID C00049036 ,
InChIKey RRXYNHPLKDIRDY-KDTIVIGONA-N
InChICode InChI=1S/C35H52O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-26(37)43-29-27-30-33(21-36,44-30)31(39)35(42)25(19-23(4)28(35)38)34(27,41)24(5)20-32(29,40)22(2)3/h15-19,24-25,27,29-31,36,39-42H,2,6-14,20-21H2,1,3-5H3/b16-15+,18-17+/t24-,25+,27+,29-,30+,31-,32-,33+,34+,35-/m1/s1
SMILES C=C(C)[C@]1(O)C[C@@H](C)[C@@]2(O)[C@H]([C@H]1OC(=O)/C=C/C=C/CCCCCCCCCC)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
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