| PDB CCD ID: | R8B |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H21 N O8 |
| InChI: | InChI=1S/C18H21NO8/c1-25-18-15(22)16(14(21)13(7-20)27-18)26-8-11-5-4-9-2-3-10(17(23)24)6-12(9)19-11/h2-6,13-16,18,20-22H,7-8H2,1H3,(H,23,24)/t13-,14+,15-,16+,18-/m1/s1 |
| InChIKey: | OBYVIVUJQDGTKI-RIUYPTKQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O | | CACTVS 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O | | OpenEye OEToolkits 2.0.7 | COC1C(C(C(C(O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O | | CACTVS 3.385 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccc3ccc(cc3n2)C(O)=O)[C@H]1O |
|
| Name: | methyl 3-O-((7-carboxy) quinolin-2-yl)-methyl)-beta-D-galactopyranoside;
2-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]quinoline-7-carboxylic acid |
| ChEMBL: | CHEMBL4853061 |
umich.edu