input word = C00030105

Metabolite InformationStructural formula
Name Dehydrosoyasaponin I
Formula C48H76O18
Mw 940.50316563
CAS RN 117210-14-7
C_ID C00030105 ,
InChIKey CROUPKILZUPLQA-RNKJELRINA-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/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,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(CC(=O)[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]([C@H](O1)CO)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)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens siculifer Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeGueldenstaedtia multiflora Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaePisum sativum L. Ref.
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OrganismPhaseolus vulgaris
Referencehttps://doi.org/10.1248/cpb.45.877