PDB CCD ID: | CIN |
Number of entries in BioLiP: | 2 |
Chemical formula: | C10 H8 O4 |
InChI: | InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+ |
InChIKey: | HAEJSGLKJYIYTB-ZZXKWVIFSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1cc(ccc1\C=C\C(=O)O)C(=O)O | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C=CC(=O)O)C(=O)O | CACTVS 3.341 | OC(=O)/C=C/c1ccc(cc1)C(O)=O | CACTVS 3.341 | OC(=O)C=Cc1ccc(cc1)C(O)=O | ACDLabs 10.04 | O=C(O)c1ccc(\C=C\C(=O)O)cc1 |
|
Name: | 4-CARBOXYCINNAMIC ACID |
DrugBank: | DB02126 |
ZINC: | ZINC000000074762 |