Mol:FL5FGCNS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -1.9669 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 0.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 1.9107 0.0000 C 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 32 M SMT 3 OCH3 M SVB 3 32 -1.1326 1.011 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 -1.8471 -1.0073 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 0.4686 -0.7106 S SKP 8 ID FL5FGCNS0025 KNApSAcK_ID C00005067 NAME 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one CAS_RN 80370-39-4 FORMULA C20H16O9 EXACTMASS 400.07943210999997 AVERAGEMASS 400.33564 SMILES O(C1)c(c2)c(ccc2C(O3)=C(C(c(c(OC)4)c3c(OC)c(O5)c4OC5)=O)OC)O1 M END