input word = C00048454

Metabolite InformationStructural formula
Name Khayanolide E
(+)-Khayanolide E
Formula C29H34O11
Mw 558.21011193
CAS RN 460054-35-7
C_ID C00048454 ,
InChIKey FXAKJVINENBNAJ-XQGFBASGNA-N
InChICode InChI=1S/C29H34O11/c1-13(30)39-27-12-24(2)19(17(32)23(34)36-5)26(27,4)15-6-8-25(3)22(14-7-9-37-11-14)38-16(31)10-28(25)29(15,35)20(27)18(40-28)21(24)33/h7,9,11,15,17-20,22,32,35H,6,8,10,12H2,1-5H3/t15-,17+,18-,19+,20+,22+,24-,25+,26-,27+,28-,29+/m1/s1
SMILES C(=O)(O[C@]12[C@@]3([C@H]4CC[C@@]5([C@@]6([C@]4([C@H]1[C@H](C(=O)[C@](C2)([C@@H]3[C@H](O)C(=O)OC)C)O6)O)CC(=O)O[C@H]5c1cocc1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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