PDB CCD ID: | LJL |
Number of entries in BioLiP: | 1 |
Chemical formula: | C17 H20 O6 |
InChI: | InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12-,17+/m1/s1 |
InChIKey: | DFUOJBWSSSODTR-PXAZEXFGSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC)c2 | CACTVS 3.385 | COc1cc(ccc1O)[C@H](O)[C@H](CO)c2ccc(O)c(OC)c2 | OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)[C@@H](CO)[C@H](c2ccc(c(c2)OC)O)O | OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O)O |
|
Name: | (1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol |