input word = C00043018

Metabolite InformationStructural formula
Name Soyasapogenol E
Formula C30H48O3
Mw 456.3603454
CAS RN 6750-59-0
C_ID C00043018 ,
InChIKey FNRBOAGVUNHDIL-QAEVLEQXNA-N
InChICode InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
SMILES CC1(C)CC(=O)[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
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeMelilotus messanensis Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
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OrganismMedicago truncatula
ReferenceGholami, A. et al., Nat. Prod. Rep., 31, (2014), 356-380.