| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1noc(c1CO)c3cccc(/C=C/COc2cccc(O)c2C(=O)OC)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1c(O)cccc1OC/C=C/c2cccc(c2)c3onc(C(O)=O)c3CO |
| SMILES | CACTVS | 3.341 | COC(=O)c1c(O)cccc1OCC=Cc2cccc(c2)c3onc(C(O)=O)c3CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)c1c(cccc1OC\C=C\c2cccc(c2)c3c(c(no3)C(=O)O)CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)c1c(cccc1OCC=Cc2cccc(c2)c3c(c(no3)C(=O)O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+ |
| InChIKey | InChI | 1.03 | DQSRCEFDWMQCCV-GQCTYLIASA-N |
