input word = C00003500

Metabolite InformationStructural formula
Name Astragaloside III
Formula C41H68O14
Mw 784.46090688
CAS RN 84687-42-3
C_ID C00003500 ,
InChIKey FVFSMBDVZVUETN-QFRBAHMXNA-N
InChICode InChI=1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](C[C@@H]2O)[C@]2([C@](CC1)([C@H]([C@H](C2)O)[C@@]1(O[C@@H](CC1)C(C)(C)O)C)C)C)C3)(C)C)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)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.
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