input word = C00063430

Metabolite InformationStructural formula
Name 24-Hydroxylicorice-saponin E2
Formula C42H60O17
Mw 836.38305049
CAS RN 934987-86-7
C_ID C00063430
InChIKey BATKFWMEEIAGGW-AXDZUIGCSA-N
InChICode InChI=1S/C42H60O17/c1-37-14-18-17-13-19(44)31-39(3)9-8-21(40(4,16-43)20(39)7-10-42(31,6)41(17,5)12-11-38(18,2)22(15-37)56-36(37)54)55-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h13,18,20-31,34-35,43,45-49H,7-12,14-16H2,1-6H3,(H,50,51)(H,52,53)/t18-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38+,39-,40+,41+,42+/m0/s1
SMILES CC12CC(OC1=O)C1(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)C1C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza inflata Ref.
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