input word = C00046063

Metabolite InformationStructural formula
Name Khayanolide C
(+)-Khayanolide C
Formula C27H32O10
Mw 516.19954724
CAS RN 330846-36-1
C_ID C00046063 ,
InChIKey BXSPWNHDIUKNAJ-CELROJQONA-N
InChICode InChI=1S/C27H32O10/c1-23-7-5-13-25(3)18(17(30)22(32)35-4)24(2)11-26(25,33)19(16(29)20(24)31)27(13,34)14(23)9-15(28)37-21(23)12-6-8-36-10-12/h6,8-10,13,17-21,30-31,33-34H,5,7,11H2,1-4H3/t13-,17-,18+,19+,20-,21+,23-,24-,25-,26+,27-/m1/s1
SMILES [C@@H]1([C@@]2(C[C@@]3([C@H](C1=O)[C@]1([C@@H]([C@]3(C)[C@H]2[C@H](C(=O)OC)O)CC[C@@]2(C1=CC(=O)O[C@H]2c1ccoc1)C)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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