input word = C00053878

Metabolite InformationStructural formula
Name Uralsaponin P
Formula C42H64O16
Mw 824.419436
CAS RN 1616062-81-7
C_ID C00053878
InChIKey RMNUYAJCFQKSFY-CVZCIHLESA-N
InChICode InChI=1S/C42H64O16/c1-37(2)22-8-11-42(7)32(20(44)14-18-19-15-40(5,36(53)54)23(45)16-38(19,3)12-13-41(18,42)6)39(22,4)10-9-24(37)56-35-31(28(49)27(48)30(57-35)33(51)52)58-34-29(50)26(47)25(46)21(17-43)55-34/h14,19,21-32,34-35,43,45-50H,8-13,15-17H2,1-7H3,(H,51,52)(H,53,54)/t19-,21+,22-,23+,24-,25-,26-,27-,28-,29+,30-,31+,32+,34-,35+,38-,39-,40+,41+,42+/m0/s1
SMILES CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)[C@H](O)C[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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