Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C3(C(C(Oc2c1c(cccn1)ccc2)OC(C3O)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12+,13+,14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | BWMXDESAZVPVGR-BGNCJLHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](Oc2cccc3cccnc23)[C@H](O)[C@@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](Oc2cccc3cccnc23)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2cccnc2c(c1)OC3C(C(C(C(O3)CO)O)O)O |