input word = C00040500

Metabolite InformationStructural formula
Name Toonaciliatin D
(+)-Toonaciliatin D
Formula C27H36O8
Mw 488.24101813
CAS RN 948556-27-2
C_ID C00040500 ,
InChIKey UFZHJXOBYWWVDW-JFZQRYCFNA-N
InChICode InChI=1S/C27H36O8/c1-23(2,30)17-10-21(29)35-26(5)22-16(33-18(25(17,22)4)11-20(28)31-6)12-24(3)15(14-7-8-32-13-14)9-19-27(24,26)34-19/h7-8,13,15-19,22,30H,9-12H2,1-6H3/t15-,16+,17-,18+,19+,22+,24-,25+,26+,27+/m0/s1
SMILES COC(=O)C[C@H]1O[C@@H]2C[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]3(C)OC(=O)C[C@@H](C(C)(C)O)[C@@]1(C)[C@@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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