Mol:FLIA1GNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.9587 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9587 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 0.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 -1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4024 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 -0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 -0.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 -1.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 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 13 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 -5.0944 4.0341 S SKP 8 ID FLIA1GNP0001 KNApSAcK_ID C00009886 NAME Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone CAS_RN 124596-68-5 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES O(C5)c(c1O5)c(cc(C(C4=O)=COc(c34)c(C=2)c(cc3)OC(C2)(C)C)c1)OC M END