PDB CCD ID: | HPK |
Number of entries in BioLiP: | 6 |
Chemical formula: | C12 H9 O4 |
InChI: | InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1/b8-4+ |
InChIKey: | QPGAZPBFRAAJBD-XBXARRHUSA-M |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | [O-]C(=O)C(=O)C=CCC(=O)c1ccccc1 | CACTVS 3.341 | [O-]C(=O)C(=O)/C=C/CC(=O)c1ccccc1 | ACDLabs 10.04 | O=C(c1ccccc1)C\C=C\C(=O)C([O-])=O | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-] | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-] |
|
Name: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE |
DrugBank: | DB07911 |