9OK
Summary
| Name: | 2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside |
| Synonyms: | fructosyl-hydroxytyrosol 2-(3,4-dihydroxyphenyl)ethyl beta-D-fructoside; 2-(3,4-dihydroxyphenyl)ethyl D-fructoside; 2-(3,4-dihydroxyphenyl)ethyl fructoside |
| Formula: | C14 H20 O8 |
| Formal charge: | 0 |
| Formula weight: | 316.304 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{S},5~{R})-2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20O8/c15-6-11-12(19)13(20)14(7-16,22-11)21-4-3-8-1-2-9(17)10(18)5-8/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1 |
| InChIKey | InChI | 1.03 | LKYHMBCDFKCNAO-YIYPIFLZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@](CO)(OCCc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[C](CO)(OCCc2ccc(O)c(O)c2)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCOC2(C(C(C(O2)CO)O)O)CO)O)O |
