input word = C00051269

Metabolite InformationStructural formula
Name licoricesaponin J2
Licoricesaponin J2
Formula C42H64O16
Mw 824.419436
CAS RN 938042-18-3
C_ID C00051269
InChIKey NQPGKAMAOHCKFC-KLZBOBCSNA-N
InChICode InChI=1S/C42H64O16/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/h7,20-31,34-35,43-48H,8-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t20-,21+,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1
SMILES C[C@]1(OC=O)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](OC=O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](OC=O)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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