input word = C00047589

Metabolite InformationStructural formula
Name Tiegusanin E
Formula C36H42O11
Mw 650.27271219
CAS RN 1156503-56-8
C_ID C00047589 ,
InChIKey DQEHPZKNOFATMB-UHFFFAOYNA-N
InChICode InChI=1S/C36H42O11/c1-8-9-11-16-26(37)46-29-20(2)36(3,39)34(47-35(38)21-14-12-10-13-15-21)23-18-24(40-4)30(41-5)32(42-6)28(23)27-22(29)17-25-31(33(27)43-7)45-19-44-25/h10,12-15,17-18,20,29,34,39H,8-9,11,16,19H2,1-7H3/t20-,29+,34+,36+/m1/s1
SMILES c12c([C@H]([C@H]([C@]([C@H](c3c1c(c(c(c3)OC)OC)OC)OC(=O)c1ccccc1)(C)O)C)OC(=O)CCCCC)cc1c(c2OC)OCO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra propinqua var.sinensis Ref.
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