| PDB CCD ID: | RLO |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H21 N O5 |
| InChI: | InChI=1S/C18H21NO5/c20-10-15-17(22)18(23)16(21)14(24-15)5-1-3-11-6-7-13-12(9-11)4-2-8-19-13/h1-4,6-9,14-18,20-23H,5,10H2/b3-1+/t14-,15-,16-,17-,18-/m1/s1 |
| InChIKey: | SJKMSFJIONHVCI-GBPXCZALSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | c1cc2cc(ccc2nc1)C=CCC3C(C(C(C(O3)CO)O)O)O | | CACTVS 3.385 | OC[CH]1O[CH](CC=Cc2ccc3ncccc3c2)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 3.1.0.0 | c1cc2cc(ccc2nc1)/C=C/C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | | CACTVS 3.385 | OC[C@H]1O[C@H](C/C=C/c2ccc3ncccc3c2)[C@@H](O)[C@@H](O)[C@@H]1O |
|
| Name: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol;
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-((E)-3-(quinolin-6-yl)allyl)tetrahydro-2H-pyran-3,4,5-triol |
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