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 C1[C@H]2[C@]3([C@]4([C@@](C1)([C@@H](OC(=O)C4)c1cocc1)C)O3)[C@@H]1[C@@]3([C@@]2(C)[C@H]([C@]([C@@H](C1=O)O)(C3)C)[C@@H](C(=O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
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