種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O1C(C(O)C(O)C(O)C13ONC(c2ccc(cc2)C)C3)CO |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1)[C@@H]2C[C@]3(ON2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O |
SMILES | CACTVS | 3.341 | Cc1ccc(cc1)[CH]2C[C]3(ON2)O[CH](CO)[CH](O)[CH](O)[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)C2CC3(C(C(C(C(O3)CO)O)O)O)ON2 |
InChI | InChI | 1.03 | InChI=1S/C15H21NO6/c1-8-2-4-9(5-3-8)10-6-15(22-16-10)14(20)13(19)12(18)11(7-17)21-15/h2-5,10-14,16-20H,6-7H2,1H3/t10-,11+,12+,13-,14+,15+/m0/s1 |
InChIKey | InChI | 1.03 | HRCKGDOSPBFICB-MZHQWRCYSA-N |