| PDB CCD ID: | VAE |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H12 O6 |
| InChI: | InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9+ |
| InChIKey: | GJZVTQNBNWGGSJ-UKTHLTGXSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O)O | | CACTVS 3.370 | OC(=O)C(\Oc1cccc(C(O)=O)c1O)=C/c2ccccc2 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O | | ACDLabs 12.01 | O=C(O)c2cccc(O/C(C(=O)O)=C/c1ccccc1)c2O |
|
| Name: | 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid |
| ZINC: | ZINC000089469899 |
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