| PDB CCD ID: | RY3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H15 N O7 |
| InChI: | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11+,12-/m0/s1 |
| InChIKey: | YILIDCGSXCGACV-UOAXWKJLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O | | OpenEye OEToolkits 2.0.7 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O | | CACTVS 3.385 | C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@H](O)[C@H]1O |
|
| Name: | (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol |
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