Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@]2(CC(=NO2)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | OC[CH]1O[C]2(CC(=NO2)c3ccccc3)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C2=NOC3(C2)C(C(C(C(O3)CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,10-13,16-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1 |
InChIKey | InChI | 1.03 | YLTDNVVQKRHCJP-RKQHYHRCSA-N |