input word = C00040505

Metabolite InformationStructural formula
Name Toonaciliatin I
Formula C27H36O7
Mw 472.2461035
CAS RN 81044-12-4
C_ID C00040505 ,
InChIKey ITVJGMZWZAKVSG-IGESQEOZNA-N
InChICode InChI=1S/C27H36O7/c1-23(2)19(14-22(29)31-6)24(3,10-8-21(28)34-23)18-7-11-25(4)17(16-9-12-32-15-16)13-20-27(25,33-20)26(18,5)30/h8-10,12,15,17-20,30H,7,11,13-14H2,1-6H3/t17-,18+,19-,20+,24+,25-,26+,27+/m0/s1
SMILES COC(=O)C[C@H]1C(C)(C)OC(=O)C=C[C@]1(C)[C@H]1CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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