input word = C00046061

Metabolite InformationStructural formula
Name Khayanolide A
(+)-Khayanolide A
Formula C27H32O10
Mw 516.19954724
CAS RN 300833-56-1
C_ID C00046061 ,
InChIKey SZIDPCXTWHHMAY-YLWSJDOFNA-N
InChICode InChI=1S/C27H32O10/c1-22-11-25(33)18(15(29)19(22)31)27-13(24(25,3)17(22)16(30)21(32)34-4)5-7-23(2)20(12-6-8-35-10-12)36-14(28)9-26(23,27)37-27/h6,8,10,13,16-20,30-31,33H,5,7,9,11H2,1-4H3/t13-,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(C(=O)[C@H]2O)[C@]24O[C@]25CC(=O)O[C@@H](c2ccoc2)[C@]5(C)CC[C@@H]4[C@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
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