Mol:FL3FE9GS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.6053 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7985 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 3.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3592 3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 3.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 2.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 3.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6014 5.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 5.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 0.2199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7454 -0.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0029 -0.1720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2865 -0.1643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8071 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 0.0136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9748 -0.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 -0.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 -0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0613 0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 2.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6535 0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6093 1.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 18 1 0 0 0 0 2 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 32 33 M SBL 3 1 35 M SMT 3 CH2OH M SVB 3 35 -2.6535 0.8734 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 0.1795 -1.0073 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -0.6549 -0.4342 S SKP 8 ID FL3FE9GS0008 KNApSAcK_ID C00004126 NAME 7-Hydroxy-5,6-dimethoxyflavone 7-glucoside CAS_RN 79198-77-9 FORMULA C23H24O10 EXACTMASS 460.136946988 AVERAGEMASS 460.43066 SMILES c(c4)(cccc4)C(=C3)Oc(c(C(=O)3)2)cc(c(c(OC)2)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O M END