input word = C00040497

Metabolite InformationStructural formula
Name Toonaciliatin A
(+)-Toonaciliatin A
Formula C25H28O10
Mw 488.16824712
CAS RN 948556-24-9
C_ID C00040497 ,
InChIKey ZAWCFJLPRJGSNA-QLSIZCHINA-N
InChICode InChI=1S/C25H28O10/c1-20-11(10-5-6-32-9-10)7-14-25(20,34-14)22(3,30)16-15(17(20)27)33-13-8-12(26)23(4)24(31,21(13,16)2)18(28)19(29)35-23/h5-6,8-9,11,14-18,27-28,30-31H,7H2,1-4H3/t11-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
SMILES C[C@]12[C@H](c3ccoc3)C[C@H]3O[C@]31[C@](C)(O)[C@@H]1[C@H](OC3=CC(=O)[C@]4(C)OC(=O)[C@H](O)[C@]4(O)[C@]31C)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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