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@@H](O)[C@@H](O)[C@]2(C)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@](CO)(C)[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1
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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