input word = C00046064

Metabolite InformationStructural formula
Name Khayanone
Formula C27H34O9
Mw 502.22028269
CAS RN 345289-50-1
C_ID C00046064 ,
InChIKey GKXWKJLURBIZRZ-RVUAPHKRNA-N
InChICode InChI=1S/C27H34O9/c1-24(2)19(18(29)23(32)34-5)26(4)15-6-8-25(3)16(27(15,33)11-14(20(24)30)21(26)31)10-17(28)36-22(25)13-7-9-35-12-13/h7,9,12,14-16,18-19,22,29,33H,6,8,10-11H2,1-5H3/t14-,15+,16+,18-,19-,22-,25+,26+,27+/m0/s1
SMILES COC(=O)[C@@H](O)[C@H]1C(C)(C)C(=O)[C@@H]2C[C@]3(O)[C@@H]4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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