MYU
概要
| 表記: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE |
| 別名: | 2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE 2-(3,4-DIHYDROXYPHENYL)-4H-CHROMENE-3,5,6,7-TETRAOL; QUERCETAGETIN |
| 組成式: | C15 H10 O8 |
| 電荷: | 0 |
| 化学式量: | 318.235 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one |
| OpenEye OEToolkits | 1.5.0 | 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-chromen-4-one |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O)c(O)cc3O2 |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O)c(O)cc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H |
| InChIKey | InChI | 1.03 | ZVOLCUVKHLEPEV-UHFFFAOYSA-N |
