種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3 |
InChIKey | InChI | 1.03 | OBIUGMGQVQMVSK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O |
SMILES | CACTVS | 3.385 | COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C |