input word = C00046060

Metabolite InformationStructural formula
Name Khayalactol
(-)-Khayalactol
Formula C27H34O10
Mw 518.21519731
CAS RN 311342-31-1
C_ID C00046060 ,
InChIKey GQSKLPDTOGRXHH-WCMPFFEGNA-N
InChICode InChI=1S/C27H34O10/c1-22(2)18(17(29)20(30)34-5)24(4)14-6-8-23(3)15(10-16(28)36-19(23)13-7-9-35-11-13)25(14)12-26(32,21(22)31)27(24,33)37-25/h7,9,11,14-15,17-19,29,32-33H,6,8,10,12H2,1-5H3/t14-,15-,17+,18+,19+,23-,24-,25-,26-,27-/m1/s1
SMILES C1(=O)C([C@@H]([C@@]2([C@@]3([C@@]1(O)C[C@]1([C@@H]2CC[C@@]2([C@H]1CC(=O)O[C@H]2c1ccoc1)C)O3)O)C)[C@@H](C(=O)OC)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
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OrganismKhaya ivorensis
ReferenceZhang,Phytochem.,70,(2009),1305