| PDB CCD ID: | M55 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H16 O7 |
| InChI: | InChI=1S/C13H16O7/c14-8-9(15)11(20-12(17)10(8)16)13(18)19-6-7-4-2-1-3-5-7/h1-5,8-12,14-17H,6H2/t8-,9-,10+,11-,12-/m0/s1 |
| InChIKey: | MYEUFSLWFIOAGY-SVNGYHJRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)COC(=O)C2C(C(C(C(O2)O)O)O)O | | CACTVS 3.385 | O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCc2ccccc2 | | CACTVS 3.385 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(=O)OCc2ccccc2 |
|
| Name: | benzyl alpha-D-glucopyranuronate;
Benzyl D-glucuronoate |
| ZINC: | ZINC000095921558 |
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