input word = C00053879

Metabolite InformationStructural formula
Name Uralsaponin T
Formula C48H74O19
Mw 954.48243018
CAS RN 1616062-85-1
C_ID C00053879
InChIKey PDSBBERBJSPJMP-JNPZOHSNSA-N
InChICode InChI=1S/C48H74O19/c1-19-26(50)27(51)32(56)40(62-19)64-25-18-43(2,3)17-21-20-16-22(49)37-46(7)12-11-24(44(4,5)23(46)10-13-48(37,9)47(20,8)15-14-45(21,25)6)63-42-36(31(55)30(54)35(66-42)39(60)61)67-41-33(57)28(52)29(53)34(65-41)38(58)59/h16,19,21,23-37,40-42,50-57H,10-15,17-18H2,1-9H3,(H,58,59)(H,60,61)/t19-,21-,23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36+,37+,40-,41-,42+,45+,46-,47+,48+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@@H]2CC(C)(C)C[C@H]3C4=CC(=O)[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]23C)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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