| Properties | Image |
|---|
| MNX_ID | MNXM737505 |
 |
| reference | sabiorkM:22831 |
| formula | C18H16N2O8 |
| global charge | 0 |
| mol weight | 388.332 |
| InChIKey | DNQOSYMGTWTSSE-JXSWWZISSA-N |
| InChI | InChI=1S/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,19H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b4-3+/t11-,13-/m0/s1 |
| SMILES | O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/N[C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H16N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,19H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b4-3+/t11-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:14](=[O:21])[C:15](=[O:22])[CH:8]=[C:9]1[CH2:5][C@@H:11]([C:16](=[O:23])[OH:24])[NH:19]/[CH:4]=[CH:3]/[C:10]1=[CH:6][C:12]([C:17]([OH:25])=[O:26])=[N:20][C@H:13]([C:18](=[O:27])[OH:28])[CH2:7]1 |
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