| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM164049 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
| formula | C22H24N2O9 |
| charge | 0 |
| mass | 460.14818 |
| reference | metacycM:CPD-19253 |
| InChIKey | BDCHTYUVFJJQAJ-XDWFFRGQSA-N |
| InChI | InChI=1S/C22H24N2O9/c1-19-8-5-4-6-10(25)12(8)16(27)21(31)11(19)7-9-14(24(2)3)15(26)13(18(23)29)17(28)20(9,30)22(21,32)33-19/h4-6,9,11,14,25-26,30-32H,7H2,1-3H3,(H2,23,29)/t9-,11+,14-,19+,20+,21-,22+/m0/s1 |
| SMILES | C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)[C@H]1C[C@@H]1[C@]3(C)O[C@@]2(O)[C@@]1(O)C(=O)c1c(O)cccc13 |
|
