| PDB CCD ID: | M09 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H18 N2 O8 |
| InChI: | InChI=1S/C14H18N2O8/c17-6-10-11(18)12(19)13(20)14(23-10)5-9(15-24-14)7-1-3-8(4-2-7)16(21)22/h1-4,9-13,15,17-20H,5-6H2/t9-,10+,11+,12-,13+,14+/m0/s1 |
| InChIKey: | FYUHHVCQKVTVLN-GMDXDWKASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-] | | ACDLabs 10.04 | [O-][N+](=O)c1ccc(cc1)C3NOC2(OC(C(O)C(O)C2O)CO)C3 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C2CC3(C(C(C(C(O3)CO)O)O)O)ON2)[N+](=O)[O-] | | CACTVS 3.341 | OC[CH]1O[C]2(C[CH](NO2)c3ccc(cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.341 | OC[C@H]1O[C@@]2(C[C@H](NO2)c3ccc(cc3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |
|
| Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol;
(1R)-3'-(4-nitrophenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] |
| ZINC: | ZINC000038965472 |
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