Mol:FL3FFLNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.1416 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0729 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3405 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3073 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.9452 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 3 18 1 0 0 0 0 17 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -1.3073 1.0455 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 1.9832 0.2661 S SKP 8 ID FL3FFLNS0004 KNApSAcK_ID C00003956 NAME 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone CAS_RN 102673-77-8 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c(O)3)cc(c(O)c3)C(=C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1 M END