PDB CCD ID: | HHH |
Number of entries in BioLiP: | 5 |
Chemical formula: | C8 H8 O4 |
InChI: | InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1 |
InChIKey: | YHXHKYRQLYQUIH-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | O[C@H](C(O)=O)c1ccc(O)cc1 | ACDLabs 10.04 | O=C(O)C(O)c1ccc(O)cc1 | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(C(=O)O)O)O | OpenEye OEToolkits 1.5.0 | c1cc(ccc1[C@@H](C(=O)O)O)O | CACTVS 3.341 | O[CH](C(O)=O)c1ccc(O)cc1 |
|
Name: | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid |
DrugBank: | DB07896 |
ZINC: | ZINC000000388426 |