Mol:FL3FBANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -0.5665 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5665 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6787 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 1.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2416 0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9156 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7919 0.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4466 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 -1.4198 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 21 20 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -6.1344 2.8231 S SKP 8 ID FL3FBANI0001 KNApSAcK_ID C00003929 NAME 4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone CAS_RN 94390-12-2 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES COc(c3)c(c(cc(OCC(C(C)(C)4)O4)3)2)C(=O)C=C(O2)c(c1)ccc(O)c1 M END