input word = C00060133

Metabolite InformationStructural formula
Name Licoricesaponin L3
Formula C49H76O20
Mw 984.49299487
CAS RN 156500-46-8
C_ID C00060133
InChIKey GKTXWZIFMHNHSM-UHFFFAOYSA-N
InChICode InChI=1S/C49H76O20/c1-21-30(53)32(55)35(58)40(64-21)68-37-31(54)25(52)19-63-41(37)69-38-34(57)33(56)36(39(59)60)67-42(38)66-28-12-13-46(5)26(47(28,6)20-50)11-14-49(8)27(46)10-9-23-24-17-44(3,43(61)62)18-29(65-22(2)51)45(24,4)15-16-48(23,49)7/h9,21,24-38,40-42,50,52-58H,10-20H2,1-8H3,(H,59,60)(H,61,62)
SMILES CC(=O)OC1CC(C)(C(=O)O)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
zoom in