| PDB CCD ID: | 0GA |
| Number of entries in BioLiP: | 9 |
| Chemical formula: | C11 H10 O6 |
| InChI: | InChI=1S/C11H10O6/c1-2-7(11(15)16)17-8-5-3-4-6(9(8)12)10(13)14/h2-5,12H,1H3,(H,13,14)(H,15,16)/b7-2- |
| InChIKey: | MPHSNGOSXHODDD-UQCOIBPSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CC=C(Oc1cccc(C(O)=O)c1O)C(O)=O | | OpenEye OEToolkits 1.7.6 | CC=C(C(=O)O)Oc1cccc(c1O)C(=O)O | | OpenEye OEToolkits 1.7.6 | C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O | | CACTVS 3.370 | C/C=C(Oc1cccc(C(O)=O)c1O)/C(O)=O | | ACDLabs 12.01 | O=C(O)c1cccc(O/C(C(=O)O)=C\C)c1O |
|
| Name: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid |
| ChEMBL: | CHEMBL4171648 |
| ZINC: | ZINC000095920611 |
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