input word = C00047600

Metabolite InformationStructural formula
Name Toonaciliatin J
(+)-Toonaciliatin J
Formula C25H30O10
Mw 490.18389718
CAS RN 1142886-09-6
C_ID C00047600 ,
InChIKey HJPBFXRUKXPBFC-FYJBOQQQNA-N
InChICode InChI=1S/C25H30O10/c1-19-6-7-23(30)21(3,24(19,31)17(27)18(28)35-19)15-14(34-23)16(26)20(2)12(11-5-8-32-10-11)9-13-25(20,33-13)22(15,4)29/h5-8,10,12-17,26-27,29-31H,9H2,1-4H3/t12-,13+,14-,15+,16-,17-,19-,20+,21-,22+,23-,24+,25+/m0/s1
SMILES [C@H]12[C@@H]([C@]([C@]34[C@@]([C@H]1O)([C@@H](C[C@H]3O4)c1cocc1)C)(O)C)[C@]1([C@@](O2)(C=C[C@]2([C@@]1([C@H](C(=O)O2)O)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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