| PDB CCD ID: | S13 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H21 N O6 |
| InChI: | 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: | HRCKGDOSPBFICB-MZHQWRCYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2 | | CACTVS 3.341 | Cc1ccc(cc1)[C@@H]2C[C@]3(ON2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O | | OpenEye OEToolkits 1.5.0 | Cc1ccc(cc1)C2CC3(C(C(C(C(O3)CO)O)O)O)ON2 | | CACTVS 3.341 | Cc1ccc(cc1)[CH]2C[C]3(ON2)O[CH](CO)[CH](O)[CH](O)[CH]3O | | ACDLabs 10.04 | O1C(C(O)C(O)C(O)C13ONC(c2ccc(cc2)C)C3)CO |
|
| Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol;
(1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] |
| DrugBank: | DB08503 |
| ZINC: | ZINC000038965475 |
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