| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c2c(O)c(O\C(=C/C1CC1)C(=O)O)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/b10-6- |
| InChIKey | InChI | 1.03 | RBBOJHGNWUPRCK-POHAHGRESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(/Oc1cccc(C(O)=O)c1O)=C/C2CC2 |
| SMILES | CACTVS | 3.370 | OC(=O)C(Oc1cccc(C(O)=O)c1O)=CC2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)OC(=CC2CC2)C(=O)O)O)C(=O)O |
