Mol:FLIAALNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.3665 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3665 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9228 -0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 -0.4871 0.0000 O 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 1 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 19 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 12 26 1 0 0 0 0 S SKP 8 ID FLIAALNP0002 KNApSAcK_ID C00009497 NAME Licoisoflavone B CAS_RN 66056-30-2 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES c(c(O)4)c(O)c(c(c4)3)C(=O)C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C M END