| PDB CCD ID: | BQ4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H8 O5 |
| InChI: | InChI=1S/C10H8O5/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-5,11,13H,(H,14,15)/b9-5- |
| InChIKey: | WWHSBYDKAHIVPP-UITAMQMPSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1cc(cc(c1)O)C(=O)C=C(C(=O)O)O | | CACTVS 3.385 | OC(=O)C(O)=CC(=O)c1cccc(O)c1 | | OpenEye OEToolkits 2.0.6 | c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)\O | | ACDLabs 12.01 | c1ccc(O)cc1C([C@H]=C(C(O)=O)O)=O | | CACTVS 3.385 | OC(=O)\C(O)=C\C(=O)c1cccc(O)c1 |
|
| Name: | (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid;
3-hydroxy-phenyldiketoacid |
| ZINC: | ZINC000379702115 |
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