Mol:FLIBALNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.4502 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -0.8719 0.0000 O 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 1 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 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 16 25 1 0 0 0 0 14 26 1 0 0 0 0 S SKP 8 ID FLIBALNI0006 KNApSAcK_ID C00009957 NAME Diphysolone;5,7,2',4'-Tetrahydroxy-6-prenylisoflavanone CAS_RN 88899-18-7 FORMULA C20H20O6 EXACTMASS 356.125988372 AVERAGEMASS 356.3692 SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(O)cc(O)c3)C2)=O)C=C(C)C M END