Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1 |
InChIKey | InChI | 1.03 | DSNCQKUYZOSARM-QVLXMGEUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](OC(=O)C=Cc2ccc(O)cc2)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O |