input word = C00033311

Metabolite InformationStructural formula
Name Pisumsaponin II
(-)-Pisumsaponin II
Formula C48H76O18
Mw 940.50316563
CAS RN 333334-37-5
C_ID C00033311 ,
InChIKey FZHTWPLZNXRSGR-WVPFHQIHNA-N
InChICode InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,20-21,23-38,40-42,49,51-58H,10-19H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45+,46+,47+,48+/m0/s1
SMILES [C@]12([C@H]([C@]([C@H](CC2)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)(C=O)C)CC[C@@]2([C@@H]1CC=C1[C@]2(CC[C@@]2([C@H]1CC(C[C@H]2O)(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum L. Ref.
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OrganismPisum sativum L.
ReferenceMurakami,Chem.Pharm.Bull.,49,(2001),73