input word = C00040337

Metabolite InformationStructural formula
Name Soyasaponin II
Formula C47H76O17
Mw 912.508251
CAS RN 55319-36-3
C_ID C00040337 ,
InChIKey IBZLICPLPYSFNZ-DQFXLIMJNA-N
InChICode InChI=1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
SMILES C1(C[C@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C(=O)O)C)C)C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens siculifer Ref.
PlantaeFabaceaeGlycine max Merrill. Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
PlantaeFabaceaeTrifolium repens Ref.
PlantaeFabaceaeTrifolium resupinatum Ref.
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OrganismImpatiens siculifer
ReferenceLi,Phytochem.,70,(2009),816