| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc4c(c2c1c(C(=O)O)cc3OCOc23)ccc(O)c4OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1c(O)ccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | COc1c(O)ccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | UCLGCTLOEZZSLA-UHFFFAOYSA-N |
