| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM125430 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C26H30Na2O9 |
| charge | 0 |
| mass | 532.16852 |
| reference | keggD:D07921 |
| InChIKey | WHMFJWUAHROXHB-KQAQVGESSA-L |
| InChI | InChI=1S/C26H32O9.2Na/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31;;/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/t17-,18-,19+,20-,25+,26+;;/m1../s1 |
| SMILES | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](OC(=O)CCC(=O)[O-])[C@@H]2OC(=O)CCC(=O)[O-].[Na+].[Na+] |
|
