Mol:FLIAALNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.3897 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8883 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8883 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8883 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5764 0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9657 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 0.6251 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 3 20 1 0 0 0 0 18 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FLIAALNI0001 KNApSAcK_ID C00002542 NAME Licoisoflavone A CAS_RN 66056-19-7 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c1O)(c(ccc1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)O)CC=C(C)C M END