input word = C00053874

Metabolite InformationStructural formula
Name Uralsaponin F
Formula C44H64O19
Mw 896.40417987
CAS RN 1208004-79-8
C_ID C00053874
InChIKey OIHAASBKFLBOND-OUMVFDBLSA-N
InChICode InChI=1S/C44H64O19/c1-18(46)59-24-16-39(2,38(57)58)15-20-19-14-21(47)33-41(4)10-9-23(42(5,17-45)22(41)8-11-44(33,7)43(19,6)13-12-40(20,24)3)60-37-32(28(51)27(50)31(62-37)35(55)56)63-36-29(52)25(48)26(49)30(61-36)34(53)54/h14,20,22-33,36-37,45,48-52H,8-13,15-17H2,1-7H3,(H,53,54)(H,55,56)(H,57,58)/t20-,22+,23-,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37+,39+,40+,41-,42+,43+,44+/m0/s1
SMILES O[C@@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)[C@H](O[C@@H]3[C@](C)(CO)[C@@](CC[C@]([C@@](CC[C@]4(C)[C@@]5([H])C[C@](C(O)=O)(C)C[C@H]4OC(C)=O)(C)C5=C6)(C)[C@]7([H])C6=O)([H])[C@]7(C)CC3)O[C@H](C(O)=O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
zoom in