input word = C00047588

Metabolite InformationStructural formula
Name Tiegusanin D
Formula C37H36O11
Mw 656.22576199
CAS RN 1156503-55-7
C_ID C00047588 ,
InChIKey DJQXRCCEESJRPM-UHFFFAOYNA-N
InChICode InChI=1S/C37H36O11/c1-20-29(47-35(38)21-13-9-7-10-14-21)23-17-26-31(46-19-45-26)33(44-6)27(23)28-24(18-25(41-3)30(42-4)32(28)43-5)34(37(20,2)40)48-36(39)22-15-11-8-12-16-22/h7-18,20,29,34,40H,19H2,1-6H3/t20-,29-,34+,37-/m0/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)c1ccccc1)cc1c(c2OC)OCO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra propinqua var.sinensis Ref.
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OrganismSchisandra propinqua var.sinensis
ReferenceLi,J.Nat.Prod.,72,(2009),1133