input word = C00048530

Metabolite InformationStructural formula
Name Sandosaponin A
Soyasaponin Bd
Formula C48H76O19
Mw 956.49808025
CAS RN 135272-91-2
C_ID C00048530 ,
InChIKey JTXVTHCLTOUSSL-DEEAUUMFNA-N
InChICode InChI=1S/C48H76O19/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/h8,22-26,28-38,40-42,49-51,53-59H,9-20H2,1-7H3,(H,60,61)/t22-,23+,24+,25+,26+,28-,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,40-,41-,42?,44+,45-,46+,47+,48+/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]6O[C@H](CO)[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
PlantaeBalsaminaceaeImpatiens siculifer Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
--Phaselus vulgaris Ref.
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OrganismImpatiens siculifer
ReferenceLi,Phytochem.,70,(2009),816