Mol:FL5F2CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.3526 -0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 -1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8096 -1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 -2.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 -1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 -0.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 -2.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 -1.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 -2.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4143 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1376 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8873 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -2.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0519 -2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 -1.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 -2.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -3.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 -1.0341 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 2 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 -2.6196 -0.6216 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 0.5189 -0.9193 S SKP 8 ID FL5F2CNP0001 KNApSAcK_ID C00005085 NAME 3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone CAS_RN 77970-06-0 FORMULA C23H20O7 EXACTMASS 408.120902994 AVERAGEMASS 408.40070000000003 SMILES c(c54)c(ccc4OCO5)C(O1)=C(C(=O)c(c3)c1c(C=2)c(c(OC)3)OC(C2)(C)C)OC M END