Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN |
InChI | InChI | 1.03 | InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1 |
InChIKey | InChI | 1.03 | TUDGLRPNTITXOM-TVQXOTEMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2ccccc2 |
SMILES | CACTVS | 3.385 | NC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CN)OC2C(C(C(C(O2)CO)O)O)O |