input word = C00051270

Metabolite InformationStructural formula
Name Licorice saponin K2
Licoricesaponin K2
Formula C42H62O16
Mw 822.40378593
CAS RN 135815-61-1
C_ID C00051270
InChIKey IIHKWANBXWXNPO-ZDSURIGLNA-N
InChICode InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,34+,35-,37-,38+,39+,40-,41-,42-/m1/s1
SMILES C[C@]1(OC=O)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]4O[C@H](OC=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](OC=O)[C@@H](O)[C@H](O)[C@H]4O)[C@](C)(CO)[C@@H]2CC[C@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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