input word = C00019147

Metabolite InformationStructural formula
Name Azukisaponin V
GM-2
Hispidacin
Formula C48H78O18
Mw 942.51881569
CAS RN 82793-05-3
C_ID C00019147 ,
InChIKey PTDAHAWQAGSZDD-PMFGEKLZNA-N
InChICode InChI=1S/C48H78O18/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/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(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-/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)(CO)C)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]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGueldenstaedtia multiflora Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMelilotus messanensis Ref.
PlantaeFabaceaeSophora koreensis Ref.
PlantaeFabaceaeVigna angularis Ref.
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