input word = C00050007

Metabolite InformationStructural formula
Name Astragaloside I
Formula C45H72O16
Mw 868.48203625
CAS RN 84680-75-1
C_ID C00050007 ,
InChIKey KXHCYYSIAXMSPA-UHFFFAOYNA-N
InChICode InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24-,25+,26+,27-,28+,29+,30+,31-,32+,33-,34+,35+,36+,37+,38+,41+,42+,43+,44-,45+/m0/s1
SMILES CC(=O)OC1C(O)COC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)C1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus membranaceus Ref.
PlantaeFabaceaeAstragalus microcephalus Ref.
zoom in



OrganismAstragalus membranaceus
ReferenceCao,Huaxue Xuebao,41,(1983),1137