Agminoside E

Properties Image Occurences in reactions MNX_ID MNXM102401 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C77H120O42 charge 0 mass 1716.72542 reference chebi:70142 InChIKey DXDVXLLFEFFVGF-XVHRNKFMSA-N InChI InChI=1S/C77H120O42/c1-14-29-50(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-97-33-56(72(95)96)102-42(6)83)110-74-65(118-76-69(108-48(12)89)66(105-45(9)86)62(103-43(7)84)53(113-76)35-99-39(3)80)60(94)61(51(32-78)111-74)116-75-70(109-49(13)90)68(107-47(11)88)64(55(115-75)37-101-41(5)82)117-77-71(119-73-59(93)58(92)57(91)52(112-73)34-98-38(2)79)67(106-46(10)87)63(104-44(8)85)54(114-77)36-100-40(4)81/h50-71,73-78,91-94H,14-37H2,1-13H3,(H,95,96)/t50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60+,61-,62-,63-,64-,65-,66+,67+,68+,69-,70-,71-,73+,74-,75+,76+,77+/m1/s1 SMILES CCC[C@H](CCCCCCCCCCCCCCCCOC[C@@H](OC(C)=O)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph