input word = C00040498

Metabolite InformationStructural formula
Name Toonaciliatin B
(-)-Toonaciliatin B
Formula C26H30O8
Mw 470.19406794
CAS RN 948556-25-0
C_ID C00040498 ,
InChIKey FJVMSNLUPRUNSI-YVVHDIPUNA-N
InChICode InChI=1S/C26H30O8/c1-22-11-32-18(28)8-14(22)23(2)16(9-15(22)27)33-19-20(23)25(4,30)26-17(34-26)7-13(12-5-6-31-10-12)24(26,3)21(19)29/h5-6,9-10,13-14,17,19-21,29-30H,7-8,11H2,1-4H3/t13-,14-,17+,19-,20+,21-,22+,23+,24+,25+,26+/m0/s1
SMILES [C@H]12[C@@H]([C@@]([C@]34[C@@]([C@H]1O)([C@@H](C[C@H]3O4)c1cocc1)C)(C)O)[C@]1(C(=CC(=O)[C@]3([C@@H]1CC(=O)OC3)C)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
zoom in