input word = C00057916

Metabolite InformationStructural formula
Name Soyasaponin Bf
Formula C47H74O18
Mw 926.48751556
CAS RN 152505-08-3
C_ID C00057916
InChIKey OAKWENRGLDGVOG-BPCGOMLRSA-N
InChICode InChI=1S/C47H74O18/c1-42(2)16-22-21-8-9-26-44(4)12-11-28(45(5,20-49)25(44)10-13-47(26,7)46(21,6)15-14-43(22,3)27(51)17-42)62-41-37(33(56)32(55)35(63-41)38(58)59)65-40-36(29(52)23(50)19-60-40)64-39-34(57)31(54)30(53)24(18-48)61-39/h8,22-26,28-37,39-41,48-50,52-57H,9-20H2,1-7H3,(H,58,59)/t22-,23-,24+,25+,26+,28-,29-,30+,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
SMILES CC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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