input word = C00064215

Metabolite InformationStructural formula
Name Licorice-saponin P2
Formula C42H62O17
Mw 838.39870056
CAS RN 2490283-08-2
C_ID C00064215
InChIKey BBECJADGJAMQPP-PIJBERLDSA-N
InChICode InChI=1S/C42H62O17/c1-37(2)21-7-10-41(6)31(20(44)15-18-19-16-42(17-43,36(54)55)14-12-38(19,3)11-13-40(18,41)5)39(21,4)9-8-22(37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38-,39-,40+,41+,42-/m0/s1
SMILES CC12CCC(CO)(C(=O)O)CC1C1=CC(=O)C3C4(C)CCC(OC5OC(C(=O)O)C(O)C(O)C5OC5OC(C(=O)O)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza inflata Ref.
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