| PDB CCD ID: | Z15 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C12 H15 Cl O7 |
| InChI: | InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1 |
| InChIKey: | LHMIFDKRIZSEFV-ZIQFBCGOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1c(c(cc(c1O)Cl)O)C2C(C(C(C(O2)CO)O)O)O | | CACTVS 3.370 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)c(Cl)cc2O | | CACTVS 3.370 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2cc(O)c(Cl)cc2O | | ACDLabs 12.01 | Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O | | OpenEye OEToolkits 1.7.0 | c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
|
| Name: | (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol |
| ChEMBL: | CHEMBL1738938 |
| ZINC: | ZINC000066156449 |
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