input word = C00059513

Metabolite InformationStructural formula
Name 24-Hydroxy-licoricesaponin A3
Formula C48H72O22
Mw 1000.45152399
CAS RN 1262326-47-5
C_ID C00059513
InChIKey TZCOLOGTIORRHN-NKPQMKOQSA-N
InChICode InChI=1S/C48H72O22/c1-43-11-12-44(2,42(64)70-39-31(58)26(53)25(52)22(17-49)65-39)16-20(43)19-15-21(51)36-45(3)9-8-24(46(4,18-50)23(45)7-10-48(36,6)47(19,5)14-13-43)66-41-35(30(57)29(56)34(68-41)38(62)63)69-40-32(59)27(54)28(55)33(67-40)37(60)61/h15,20,22-36,39-41,49-50,52-59H,7-14,16-18H2,1-6H3,(H,60,61)(H,62,63)/t20-,22+,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,43+,44-,45-,46-,47+,48+/m0/s1;InChI=1S/C48H72O22/c1-43-11-12-44(2,42(64)70-39-31(58)26(53)25(52)22(17-49)65-39)16-20(43)19-15-21(51)36-45(3)9-8-24(46(4,18-50)23(45)7-10-48(36,6)47(19,5)14-13-43)66-41-35(30(57)29(56)34(68-41)38(62)63)69-40-32(59)27(54)28(55)33(67-40)37(60)61/h15,20,22-36,39-41,49-50,52-59H,7-14,16-18H2,1-6H3,(H,60,61)(H,62,63)/t20-,22+,23+,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,43+,44-,45-,46+,47+,48+/m0/s1
SMILES CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
zoom in