input word = C00053464

Metabolite InformationStructural formula
Name Catsanogenin
Medicagenic acid
Formula C30H46O6
Mw 502.3294392
CAS RN 599-07-5
C_ID C00053464
InChIKey IDGXIXSKISLYAC-WNTKNEGGSA-N
InChICode InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
SMILES CC1(C)CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@@](C(O)=O)(C)[C@@H](O)[C@@H](O)C[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago arborea Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMedicago spp. Ref.
PlantaeFabaceaeMedicago truncatula Ref.
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