| PDB CCD ID: | WMN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H24 O7 |
| InChI: | InChI=1S/C19H24O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h2,6,9-11,14,18,20-21,23-24H,3-5,7-8H2,1H3/t11-,14?,18?/m0/s1 |
| InChIKey: | INPRLQYRFJHNKB-JCDGYTILSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1CCCC(=O)[C@H]([C@H](CC/C=C/c2cc(cc(c2C(=O)O1)O)O)O)O | | CACTVS 3.385 | C[CH]1CCCC(=O)[CH](O)[CH](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 | | CACTVS 3.385 | C[C@H]1CCCC(=O)[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 | | OpenEye OEToolkits 2.0.7 | CC1CCCC(=O)C(C(CCC=Cc2cc(cc(c2C(=O)O1)O)O)O)O |
|
| Name: | (4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione |
