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 [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@H]1[C@](C=CC(=O)C1(C)C)([C@@H]1[C@]([C@]23[C@@](CC1)([C@@H](OC(=O)[C@H]2O3)c1cocc1)C)(C(=O)OC)C)C)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya ivorensis Ref.
PlantaeMeliaceaeKhaya senegalensis Ref.
zoom in