| Properties | Image |
|---|
| MNX_ID | MNXM50661 |
 |
| reference | metacycM:DIFORMYLKYNURENINE |
| formula | C12H11N2O5 |
| global charge | -1 |
| mol weight | 263.229 |
| InChIKey | HJGVXHZDLBNDRF-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H12N2O5/c15-6-13-9-4-2-1-3-8(9)11(17)5-10(12(18)19)14-7-16/h1-4,6-7,10H,5H2,(H,13,15)(H,14,16)(H,18,19)/p-1 |
| SMILES | O=CNC1=C(C(=O)CC(NC=O)C(=O)[O-])C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H12N2O5/c15-6-13-9-4-2-1-3-8(9)11(17)5-10(12(18)19)14-7-16/h1-4,6-7,10H,5H2,(H,13,15)(H,14,16)(H,18,19)/t10? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([N:13]=[CH:6][OH:15])[C:8]([C:11]([CH2:5][CH:10]([C:12](=[O:18])[OH:19])[N:14]=[CH:7][OH:16])=[O:17])=[CH:3]1 |
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