| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(O)C(O)C(Oc1c(C(=O)O)cccc1)OC(C2O)CO |
| InChI | InChI | 1.03 | InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10-,11+,13+/m0/s1 |
| InChIKey | InChI | 1.03 | TZPBMNKOLMSJPF-HKLXJQGRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1O[C@@H](Oc2ccccc2C(O)=O)[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](Oc2ccccc2C(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
