input word = C00061947

Metabolite InformationStructural formula
Name Medicagenic acid-3-O-glucopyranoside
Formula C36H56O11
Mw 664.38226263
CAS RN 49792-23-6
C_ID C00061947
InChIKey XCHARIIIZLLEBL-GHKSOYFMSA-N
InChICode InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21-,22-,23?,24-,25+,26-,27+,28+,32-,33-,34-,35?,36+/m1/s1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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