input word = C00040499

Metabolite InformationStructural formula
Name Toonaciliatin C
(+)-Toonaciliatin C
Formula C29H36O10
Mw 544.23084737
CAS RN 948556-26-1
C_ID C00040499 ,
InChIKey SSBUNXSELYWXIC-KYULQFQRNA-N
InChICode InChI=1S/C29H36O10/c1-14(30)37-13-25(2)17(10-21(32)35-6)26(3)19(11-18(25)31)38-22-23(26)28(5,34)29-20(39-29)9-16(15-7-8-36-12-15)27(29,4)24(22)33/h7-8,11-12,16-17,20,22-24,33-34H,9-10,13H2,1-6H3/t16-,17-,20+,22-,23+,24-,25+,26+,27+,28+,29+/m0/s1
SMILES [C@H]12[C@@H]([C@@]([C@]34[C@@]([C@H]1O)([C@@H](C[C@H]3O4)c1cocc1)C)(C)O)[C@]1(C(=CC(=O)[C@]([C@@H]1CC(=O)OC)(C)COC(=O)C)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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