| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1c(cccc1)CCCCOCCCCCCNCC(O)c2cc(c(cc2)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/t25-/m0/s1 |
| InChIKey | InChI | 1.03 | GIIZNNXWQWCKIB-VWLOTQADSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc2ccccc2 |
| SMILES | CACTVS | 3.385 | OCc1cc(ccc1O)[CH](O)CNCCCCCCOCCCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)CO)O)O |
