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 [C@]123[C@@](CC[C@@H]([C@@]1(C)O)[C@@]1([C@H](C(OC(=O)C=C1)(C)C)CC(=O)OC)C)([C@@H](C[C@H]2O3)c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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OrganismToona ciliata
ReferenceLiao,J.Nat.Prod.,70,(2007),1268