input word = C00053793

Metabolite InformationStructural formula
Name 22-Methoxy-13(18)-oleanene-3,24-diol
Soyasapogenol D
Formula C31H52O3
Mw 472.39164553
CAS RN 65892-76-4
C_ID C00053793
InChIKey HALPXNXYUCDSAX-YZPYETESSA-N
InChICode InChI=1S/C31H52O3/c1-26(2)16-20(18-32)27(3)14-15-30(6)21(22(27)17-26)8-9-24-28(4)12-11-25(34)29(5,19-33)23(28)10-13-31(24,30)7/h20,23-25,32-34H,8-19H2,1-7H3/t20-,23+,24+,25-,27-,28-,29+,30+,31+/m0/s1
SMILES CC1(C)CC2=C3CC[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](CO)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMedicago sativa Ref.
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OrganismGlycine max
ReferenceMeyer, A. et al., Helv. Chim. Acta, 1950, 33, 687 (isol)