| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H19NO4/c1-11-8-16-14-5-4-13(23)9-17(14)21-18(16)15-6-7-20(3,25-19(11)15)10-24-12(2)22/h4-9,21,23H,10H2,1-3H3/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | HGIQTDGMLIBTAD-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OC[C@]1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1 |
| SMILES | CACTVS | 3.385 | CC(=O)OC[C]1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c3ccc(cc3[nH]c2c4c1OC(C=C4)(C)COC(=O)C)O |
