input word = C00051331

Metabolite InformationStructural formula
Name Lotoideside C
Glinuside F
Formula C45H76O16
Mw 872.51333638
CAS RN 850254-27-2
C_ID C00051331
InChIKey LULHEQKFIYRKMT-SLPITQIHNA-N
InChICode InChI=1S/C45H76O16/c1-40(2)28(61-39-35(54)32(51)23(48)19-58-39)12-14-43(6)27-10-9-26-42(5)13-11-20(41(3,4)55)29(42)24(59-37-33(52)30(49)21(46)17-56-37)15-44(26,7)45(27,8)16-25(36(40)43)60-38-34(53)31(50)22(47)18-57-38/h20-39,46-55H,9-19H2,1-8H3/t20-,21-,22-,23-,24+,25+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,42-,43-,44-,45-/m1/s1
SMILES CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMolluginaceaeGlinus lotoides Ref.
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