input word = C00049031

Metabolite InformationStructural formula
Name Wikstroelide E
(+)-Wikstroelide E
Formula C30H44O8
Mw 532.30361838
CAS RN 66107-38-8
C_ID C00049031 ,
InChIKey YTMZOVBDBJZQRD-PVQDAMLMNA-N
InChICode InChI=1S/C30H44O8/c1-15(2)26-13-17(4)30-20-23(26)36-28(37-26,38-30)12-10-8-6-7-9-11-16(3)19-18(5)22(32)29(34,21(19)30)25(33)27(14-31)24(20)35-27/h16-21,23-25,31,33-34H,1,6-14H2,2-5H3/t16-,17-,18+,19+,20-,21-,23-,24+,25+,26-,27+,28-,29-,30-/m1/s1
SMILES C1CCCCCC[C@H]([C@@H]2[C@H]3[C@@]45O[C@@]61O[C@@](C[C@H]4C)([C@@H]([C@@H]5[C@H]1[C@@]([C@@H]([C@@]3(C(=O)[C@H]2C)O)O)(O1)CO)O6)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
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