input word = C00057905

Metabolite InformationStructural formula
Name Soyasaponin gammaa
Formula C47H72O16
Mw 892.48203625
CAS RN 149636-87-3
C_ID C00057905
InChIKey BJSYIEDSMIGNCZ-VRTJPDHZSA-N
InChICode InChI=1S/C47H72O16/c1-22-32(51)25(49)17-31(59-22)60-30-19-42(2,3)18-24-23-9-10-28-44(5)13-12-29(45(6,21-48)27(44)11-14-47(28,8)46(23,7)16-15-43(24,30)4)61-41-38(35(54)34(53)37(62-41)39(56)57)63-40-36(55)33(52)26(50)20-58-40/h9,24,26-31,33-38,40-41,48,50-55H,10-21H2,1-8H3,(H,56,57)/t24-,26-,27+,28+,29-,30+,31?,33-,34-,35-,36+,37-,38+,40-,41+,43+,44-,45+,46+,47+/m0/s1
SMILES CC1=C(O)C(=O)CC(O[C@@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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