| PDB CCD ID: | WM6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H20 O9 |
| InChI: | InChI=1S/C16H20O9/c17-8-5-10(19)13-12(6-8)25-7-11(20)15(22)14(21)9(18)3-1-2-4-24-16(13)23/h5-6,11,14-15,17,19-22H,1-4,7H2/t11-,14+,15+/m1/s1 |
| InChIKey: | JTDNYLVWHABXBF-UGFHNGPFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[CH]1COc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.7 | c1c(cc2c(c1O)C(=O)OCCCCC(=O)C(C(C(CO2)O)O)O)O | | OpenEye OEToolkits 2.0.7 | c1c(cc2c(c1O)C(=O)OCCCCC(=O)[C@H]([C@H]([C@@H](CO2)O)O)O)O | | CACTVS 3.385 | O[C@@H]1COc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[C@@H](O)[C@H]1O |
|
| Name: | (4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
