input word = C00045333

Metabolite InformationStructural formula
Name Khayanoside
Formula C33H44O13
Mw 648.27819149
CAS RN 345289-51-2
C_ID C00045333 ,
InChIKey OOWUHRQISTYBRO-LVICXLKUNA-N
InChICode InChI=1S/C33H44O13/c1-29(2)19(15-43-27-23(38)22(37)21(36)17(13-34)44-27)30(3,10-8-20(29)35)18-7-11-31(4)24(16-9-12-42-14-16)45-26(39)25-33(31,46-25)32(18,5)28(40)41-6/h8-10,12,14,17-19,21-25,27,34,36-38H,7,11,13,15H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25-,27-,30-,31+,32+,33-/m1/s1
SMILES COC(=O)[C@]1(C)[C@@H]([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
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