input word = C00053792

Metabolite InformationStructural formula
Name Soyasapogenol C
Sapogenol C
Formula C30H48O2
Mw 440.36543078
CAS RN 595-14-2
C_ID C00053792
InChIKey VNGUCOGHCJHFID-FLZFTVBESA-N
InChICode InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1
SMILES CC1(C)C=C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago arborea Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaePhaseolus radiatus Ref.
PlantaeFabaceaeTrifolium repens Ref.
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OrganismMedicago arborea
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.