input word = C00061023

Metabolite InformationStructural formula
Name (2beta,3beta,4alpha)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-hydroxyolean-12-ene-23,28-dioic acid
Formula C48H76O20
Mw 972.49299487
CAS RN 242470-89-9
C_ID C00061023
InChIKey ZMLCRZDVQZQUGR-GRUYDJROSA-N
InChICode InChI=1S/C48H76O20/c1-20-28(52)31(55)34(58)38(63-20)66-35-32(56)29(53)24(18-49)64-39(35)67-36-33(57)30(54)25(19-50)65-40(36)68-37-23(51)17-44(4)26-9-8-21-22-16-43(2,3)12-14-48(22,42(61)62)15-13-45(21,5)46(26,6)11-10-27(44)47(37,7)41(59)60/h8,20,22-40,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/t20-,22-,23-,24+,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,44+,45+,46+,47-,48-/m0/s1
SMILES CC1OC(OC2C(OC3C(OC4C(O)CC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)C(=O)O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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OrganismMedicago sativa
Referencehttps://doi.org/10.1007/BF02492197