| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | IYGYMKDQCDOMRE-ZWKOTPCHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45 |
| SMILES | CACTVS | 3.385 | CN1CCc2cc3OCOc3cc2[CH]1[CH]4OC(=O)c5c6OCOc6ccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCc2cc3c(cc2C1C4c5ccc6c(c5C(=O)O4)OCO6)OCO3 |
