input word = C00049032

Metabolite InformationStructural formula
Name Wikstroelide H
(+)-Wikstroelide H
Formula C34H46O10
Mw 614.30909769
CAS RN 206193-09-1
C_ID C00049032 ,
InChIKey JBPNOTYVHQAHMI-ZYFWTGBCNA-N
InChICode InChI=1S/C34H46O10/c1-7-8-9-10-11-12-13-14-15-16-31-42-28-24-27-30(18-35,41-27)29(38)32(39)23(17-20(4)25(32)37)34(24,44-31)21(5)26(40-22(6)36)33(28,43-31)19(2)3/h13-17,21,23-24,26-29,35,38-39H,2,7-12,18H2,1,3-6H3/b14-13+,16-15+/t21-,23-,24+,26-,27+,28-,29-,30+,31-,32-,33+,34+/m1/s1
SMILES C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
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