| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)C(Cc2ccc1OCOc1c2)C(C(=O)O)Cc3ccc4OCOc4c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H](Cc1ccc2OCOc2c1)[C@H](Cc3ccc4OCOc4c3)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](Cc1ccc2OCOc2c1)[CH](Cc3ccc4OCOc4c3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1CC(C(Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2 |
| InChI | InChI | 1.03 | InChI=1S/C20H18O8/c21-19(22)13(5-11-1-3-15-17(7-11)27-9-25-15)14(20(23)24)6-12-2-4-16-18(8-12)28-10-26-16/h1-4,7-8,13-14H,5-6,9-10H2,(H,21,22)(H,23,24)/t13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | FFYBYVPVYLMLAR-KBPBESRZSA-N |
