| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O1c2c(OC1)cc5c(c2)c3c(c4c(c[nH+]3)cc(OC)c(OC)c4)C5 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2c[nH+]c3c(Cc4cc5OCOc5cc34)c2cc1OC |
| SMILES | CACTVS | 3.341 | COc1cc2c[nH+]c3c(Cc4cc5OCOc5cc34)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5 |
| InChI | InChI | 1.03 | InChI=1S/C19H15NO4/c1-21-15-5-11-8-20-19-13-7-18-17(23-9-24-18)4-10(13)3-14(19)12(11)6-16(15)22-2/h4-8H,3,9H2,1-2H3/p+1 |
| InChIKey | InChI | 1.03 | LXDREMZQGAILJU-UHFFFAOYSA-O |
