input word = C00059520

Metabolite InformationStructural formula
Name Uralsaponin D
Formula C42H58O18
Mw 850.36231505
CAS RN 1262489-44-0
C_ID C00059520
InChIKey JHJRJJRSKZLTFQ-AEZYHTSRSA-N
InChICode InChI=1S/C42H58O18/c1-37(2)19-7-10-41(6)30(18(43)13-16-17-14-42(35(53)54)15-21(57-36(42)55)38(17,3)11-12-40(16,41)5)39(19,4)9-8-20(37)56-34-29(25(47)24(46)28(59-34)32(51)52)60-33-26(48)22(44)23(45)27(58-33)31(49)50/h13,17,19-30,33-34,44-48H,7-12,14-15H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t17-,19-,20-,21+,22-,23-,24-,25-,26+,27-,28-,29+,30+,33-,34+,38+,39-,40+,41+,42+/m0/s1
SMILES CC1(C)C(OC2OC(C(=O)O)C(O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC4(C(=O)O)CC(OC4=O)C3(C)CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza inflata Ref.
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