input word = C00046062

Metabolite InformationStructural formula
Name Khayanolide B
(-)-Khayanolide B
Formula C27H34O10
Mw 518.21519731
CAS RN 300833-57-2
C_ID C00046062 ,
InChIKey ZDYKUDUSNJTTKV-FLLBYZRDNA-N
InChICode InChI=1S/C27H34O10/c1-22-11-25(32)18-16(19(22)30)37-26-9-14(28)36-20(12-6-8-35-10-12)23(26,2)7-5-13(27(18,26)33)24(25,3)17(22)15(29)21(31)34-4/h6,8,10,13,15-20,29-30,32-33H,5,7,9,11H2,1-4H3/t13-,15+,16-,17+,18+,19-,20+,22-,23+,24-,25+,26-,27+/m1/s1
SMILES COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@@H]4C(O[C@]56CC(=O)O[C@@H](c7ccoc7)[C@]5(C)CC[C@H]([C@]13C)[C@]46O)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
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