input word = C00035332

Metabolite InformationStructural formula
Name Khayalactone
(+)-Khayalactone
Formula C27H34O9
Mw 502.22028269
CAS RN 203861-84-1
C_ID C00035332 ,
InChIKey FGRMZTOWXXCZRL-VEWVDNLTNA-N
InChICode InChI=1S/C27H34O9/c1-23-7-5-16-25(3)17(9-19(29)33-4)24(2)13-27(25,32)36-26(16,11-15(28)21(24)31)18(23)10-20(30)35-22(23)14-6-8-34-12-14/h6,8,12,16-18,21-22,31-32H,5,7,9-11,13H2,1-4H3/t16-,17+,18+,21-,22+,23-,24-,25-,26-,27+/m1/s1
SMILES C1[C@H]2[C@]3([C@@H]4[C@@](C1)([C@@H](OC(=O)C4)c1cocc1)C)O[C@@]1([C@]2([C@H]([C@@](C1)([C@@H](C(=O)C3)O)C)CC(=O)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya anthotheca Ref.
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OrganismKhaya anthotheca
ReferenceTchimene,Phytochem.,66,(2005),1088