Mol:FLIA1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.1517 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0391 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0391 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5172 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2369 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4723 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4723 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 -1.1571 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 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 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 12 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 30 M SMT 1 ^OCH3 M SBV 1 30 -5.7808 3.3188 S SKP 8 ID FLIA1LNI0001 KNApSAcK_ID C00009442 NAME Maximaisoflavone C CAS_RN 10489-51-7 FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES c(O4)(c(OC4)3)cc(c(OC)c3)C(C2=O)=COc(c21)cc(cc1)OCC=C(C)C M END