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 COC(=O)C[C@@H]1[C@]2(C)C(=CC(=O)[C@]1(C)COC(C)=O)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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