Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1 |
InChIKey | InChI | 1.06 | AEDDIBAIWPIIBD-ZJKJAXBQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1O)O)Oc3cc(c(c(c3C2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1O)O)Oc3cc(c(c(c3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O |