種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O |
SMILES | CACTVS | 3.341 | Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
InChIKey | InChI | 1.03 | REFJWTPEDVJJIY-UHFFFAOYSA-N |