Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1C(Oc2c(C1=O)c(cc(O)c2)O)c3ccc(c(c3)O)OC |
InChI | InChI | 1.03 | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
InChIKey | InChI | 1.03 | AIONOLUJZLIMTK-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1O)[CH]2CC(=O)c3c(O)cc(O)cc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1O)C2CC(=O)c3c(cc(cc3O2)O)O |