| PDB CCD ID: | WLZ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H21 F O7 |
| InChI: | InChI=1S/C18H21FO7/c1-9-5-6-12(19)16(23)17(24)13(21)4-2-3-10-7-11(20)8-14(22)15(10)18(25)26-9/h2-3,7-9,12-13,17,20-22,24H,4-6H2,1H3/t9-,12-,13-,17?/m0/s1 |
| InChIKey: | LQHQYHXOZHHFLO-AJSUZMALSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH]1CC[CH](F)C(=O)[CH](O)[CH](O)CC=Cc2cc(O)cc(O)c2C(=O)O1 | | OpenEye OEToolkits 2.0.7 | CC1CCC(C(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)O)O)O)F | | OpenEye OEToolkits 2.0.7 | C[C@H]1CC[C@H](C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)O)O)O)F | | CACTVS 3.385 | C[C@H]1CC[C@@H](F)C(=O)[C@@H](O)[C@@H](O)C\C=C\c2cc(O)cc(O)c2C(=O)O1 |
|
| Name: | (4~{S},7~{R},9~{S},10~{S},12~{E})-7-fluoranyl-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione |
