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 C1[C@@H]2[C@](C(=O)CC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H]([C@]1(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[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](CO)O1)O)O)O)O)O)C(=O)O)C)C)C)C
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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OrganismPhaseolus vulgaris
ReferenceWillner,D.et al.,JCS,(1964),5885-5888