| Properties | Image | Occurences in reactions |
MNX_ID | MNXM103460 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C23H28CaN3Na3O11 |
charge | 0 |
mass | 631.10428 |
reference | keggC:C20358 |
InChIKey | NAHFLJIBOXGAOE-UHFFFAOYSA-I |
InChI | InChI=1S/C23H33N3O11.Ca.3Na/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;;;;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);;;;/q;+2;3*+1/p-5 |
SMILES | CCOc1ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1.[Ca+2].[Na+].[Na+].[Na+] |
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