Mol:FL3FBCNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.8314 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3938 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3938 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0838 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0838 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3877 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3877 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7831 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 1.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7116 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9971 -1.5925 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 3 27 1 0 0 0 0 27 28 1 0 0 0 0 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 SBV 1 31 -8.1212 3.7642 S SKP 8 ID FL3FBCNP0001 KNApSAcK_ID C00004048 NAME 5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone CAS_RN 64125-34-4 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES c(c(OC)2)c(c(c(O3)c2C(=O)C=C3c(c5)cc(O4)c(c5)OC4)1)OC(C=C1)(C)C M END