input word = C00053791

Metabolite InformationStructural formula
Name Soyasapogenol A
Formula C30H50O4
Mw 474.37091008
CAS RN 508-01-0
C_ID C00053791
InChIKey CDDWAYFUFNQLRZ-KJVHGCRFSA-N
InChICode InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
SMILES CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAbrus cantoniensis Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMedicago truncatula Ref.
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OrganismAbrus cantoniensis
ReferenceKitagawa, I. et al., Chem. Pharm. Bull., 1982, 30, 2294-2297

1985, 33, 1069-1076

1988, 36, 153-161

2819-2828

2829-2839

1985, 33, 598-608 (Soyasapogenol A, Soyasaponins A, Acetylsoyasaponins A, struct)