| Properties | Image |
|---|
| MNX_ID | MNXM1190661 |
 |
| reference | envipathM:...dadb2fd07715 |
| formula | C21H15NO12 |
| global charge | -2 |
| mol weight | 473.346 |
| InChIKey | BOQFFHOIVQKIQQ-WTKPLQERSA-L |
| InChI | InChI=1S/C21H17NO12/c1-8-10(6-16(27)33-7-15(25)26)11-5-13(32-2)18(28)19(29)17(11)22(8)20(30)12-3-9(4-14(23)24)34-21(12)31/h3-5,28-29H,6-7H2,1-2H3,(H,23,24)(H,25,26)/p-2/b9-4- |
| SMILES | COC1=CC2=C(C(O)=C1O)N(C(=O)C1=C/C(=C/C(=O)[O-])OC1=O)C(C)=C2CC(=O)OCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H17NO12/c1-8-10(6-16(27)33-7-15(25)26)11-5-13(32-2)18(28)19(29)17(11)22(8)20(30)12-3-9(4-14(23)24)34-21(12)31/h3-5,28-29H,6-7H2,1-2H3,(H,23,24)(H,25,26)/b9-4- |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[C:10]([CH2:6][C:16](=[O:27])[O:33][CH2:7][C:15](=[O:25])[OH:26])[C:11]2=[CH:5][C:13]([O:32][CH3:2])=[C:18]([OH:28])[C:19]([OH:29])=[C:17]2[N:22]1[C:20]([C:12]1=[CH:3]/[C:9](=[CH:4]/[C:14](=[O:23])[OH:24])[O:34][C:21]1=[O:31])=[O:30] |
|