| 2D Structure | |
| CID | 117440 |
| Target | / |
| IUPAC Name | [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl benzoate |
| InChI | InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-7-6-13(22)8-12(14)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1 |
| InChI Key | UQCOPGRRWQCCFR-BFMVXSJESA-N |
| Canonical SMILES | C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Molecular Formula | C20H22O9 |
| Molecular Weight | 406.4 |
| synonyms | ['salireposide', '16955-55-8', 'YUB3J70275', 'UNII-YUB3J70275', '[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl benzoate', 'beta-D-Glucopyranoside, 2-((benzoyloxy)methyl)-4-hydroxyphenyl', '.BETA.-D-GLUCOPYRANOSIDE, 2-((BENZOYLOXY)METHYL)-4-HYDROXYPHENYL', '(5-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl benzoate', 'Salireposid', 'CHEMBL464611', 'DTXSID60937646', 'CHEBI:137508', 'AKOS040753905', '[2-(Hexopyranosyloxy)-5-hydroxyphenyl]methyl benzoate', 'Q27294716', '5-hydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl benzoate'] |
From Pubchem