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 C1[C@]23[C@H]([C@@]4([C@](C1)([C@@H]([C@H](C4)O)[C@@]1(O[C@H](CC1)C(C)(O)C)C)C)C)C[C@H]([C@H]1[C@@]2(CC[C@H](C1(C)C)O[C@@H]1[C@@H]([C@H]([C@H](CO1)O)OC(=O)C)OC(=O)C)C3)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus membranaceus Ref.
PlantaeFabaceaeAstragalus microcephalus Ref.
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OrganismAstragalus membranaceus
ReferenceCao,Huaxue Xuebao,41,(1983),1137