| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)C3=C(O)CC4Cc2c(c1cccc(O)c1c(O)c2C(=O)C4(O)C3=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1c2C[C@H]3CC(=C(C(N)=O)C(=O)[C@@]3(O)C(=O)c2c(O)c4c(O)cccc14)O |
| SMILES | CACTVS | 3.341 | Cc1c2C[CH]3CC(=C(C(N)=O)C(=O)[C]3(O)C(=O)c2c(O)c4c(O)cccc14)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2cccc(c2c(c3c1CC4CC(=C(C(=O)C4(C3=O)O)C(=O)N)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H17NO7/c1-7-9-3-2-4-11(22)13(9)16(24)14-10(7)5-8-6-12(23)15(19(21)27)18(26)20(8,28)17(14)25/h2-4,8,22-24,28H,5-6H2,1H3,(H2,21,27)/t8-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | UEDQTQIXNDMDID-FHZGZLOMSA-N |
