PDB CCD ID: | HTK |
Number of entries in BioLiP: | 2 |
Chemical formula: | C14 H16 O4 |
InChI: | InChI=1S/C14H16O4/c1-10(15)7-12(16)8-13(17)9-14(18)11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3/t10-/m0/s1 |
InChIKey: | XVSDLQKOWGRQBE-JTQLQIEISA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O | OpenEye OEToolkits 1.7.6 | CC(CC(=O)CC(=O)CC(=O)c1ccccc1)O | CACTVS 3.370 | C[C@H](O)CC(=O)CC(=O)CC(=O)c1ccccc1 | CACTVS 3.370 | C[CH](O)CC(=O)CC(=O)CC(=O)c1ccccc1 | ACDLabs 12.01 | O=C(c1ccccc1)CC(=O)CC(=O)CC(O)C |
|
Name: | (7S)-7-hydroxy-1-phenyloctane-1,3,5-trione |
ZINC: | ZINC000103545339 |