input word = C00061708

Metabolite InformationStructural formula
Name (2beta,3beta,4alpha)-28-(beta-D-Glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid
Formula C48H76O21
Mw 988.48790949
CAS RN 397874-70-3
C_ID C00061708
InChIKey RCYTWPBJDXLXDG-KCXPBVKCSA-N
InChICode InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-34(60)30(56)28(54)24(18-50)65-40)14-12-46(5)20(21(48)15-43)7-8-26-44(3)16-22(52)37(45(4,19-51)25(44)9-10-47(26,46)6)68-41-36(32(58)31(57)35(66-41)38(61)62)67-39-33(59)29(55)27(53)23(17-49)64-39/h7,21-37,39-41,49-60H,8-19H2,1-6H3,(H,61,62)/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,31-,32-,33+,34+,35-,36+,37-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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