input word = C00019003

Metabolite InformationStructural formula
Name Soyasaponin V
Soyasaponin Ba
Formula C48H78O19
Mw 958.51373031
CAS RN 114590-20-4
C_ID C00019003 ,
InChIKey WFRQIKSNAYYUJZ-WIWKUNOFNA-N
InChICode InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61)/t22-,23-,24-,25+,26-,27-,28+,29+,30-,31+,32+,33+,34+,35+,36-,37+,38+,40+,41+,42-,44-,45+,46+,47-,48-/m1/s1
SMILES CC1(C)CC2C3=CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@@H](O)[C@H](O)C6O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
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