Feedback
4-nitro-6-oxohepta-2,4-dienedioate
MNXM97080 is deprecated and here replaced by MNXM1372149
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1372149 |
 |
| reference | metacycM:CPD-15181 |
| formula | C7H3NO7 |
| global charge | -2 |
| mol weight | 213.101 |
| InChIKey | WQSLVSOAROUIFS-XLFBNKDWSA-L |
| InChI | InChI=1S/C7H5NO7/c9-5(7(12)13)3-4(8(14)15)1-2-6(10)11/h1-3H,(H,10,11)(H,12,13)/p-2/b2-1+,4-3- |
| SMILES | O=C([O-])/C=C/C(=C/C(=O)C(=O)[O-])[N+](=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C7H5NO7/c9-5(7(12)13)3-4(8(14)15)1-2-6(10)11/h1-3H,(H,10,11)(H,12,13)/b2-1+,4-3- |
 |
| SMILES (mnx) | [CH:1](=[CH:2]/[C:6](=[O:10])[OH:11])\[C:4](=[CH:3]\[C:5]([C:7]([OH:12])=[O:13])=[O:9])[N+:8]([O-:14])=[O:15] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|