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 C1[C@@H]([C@@]([C@@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)([C@@H](CC(C1)(C)C)O)C)C)C)C)(C)CO)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)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
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
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OrganismPhaseolus vulgaris
ReferenceChen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).

Hosny, et al., JNP, 65, (2002), 805