input word = C00040502

Metabolite InformationStructural formula
Name Toonaciliatin F
(+)-Toonaciliatin F
Formula C25H32O10
Mw 492.19954724
CAS RN 948556-29-4
C_ID C00040502 ,
InChIKey HRTHMOOARAGYNK-MGMZMLOUNA-N
InChICode InChI=1S/C25H32O10/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/h5-6,9,11-18,26-28,30-31H,7-8H2,1-4H3/t11-,12+,13-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
SMILES C[C@]12[C@H](C[C@@H](O)[C@]3(C)OC(=O)[C@H](O)[C@]13O)O[C@H]1[C@H]2[C@@](C)(O)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]3(C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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