| PDB CCD ID: | 5SY |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H22 O9 |
| InChI: | InChI=1S/C19H22O9/c1-10(21)26-17-16(15(22)14(8-20)28-19(17)24-2)25-9-12-7-11-5-3-4-6-13(11)27-18(12)23/h3-7,14-17,19-20,22H,8-9H2,1-2H3/t14-,15+,16+,17-,19+/m1/s1 |
| InChIKey: | CHNUXPKWFBMLRQ-RDHIYWLCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCC2=Cc3ccccc3OC2=O)[C@H]1OC(C)=O | | OpenEye OEToolkits 2.0.4 | CC(=O)OC1C(C(C(OC1OC)CO)O)OCC2=Cc3ccccc3OC2=O | | OpenEye OEToolkits 2.0.4 | CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O | | CACTVS 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](OCC2=Cc3ccccc3OC2=O)[CH]1OC(C)=O |
|
| Name: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate |
| ZINC: | ZINC000584905168 |
zhanggroup.org