Mol:FL3FA9NS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -0.5786 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5786 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3367 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2469 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2469 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3367 1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3367 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 -1.4544 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 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 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 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 19 26 2 0 0 0 0 3 27 1 0 0 0 0 S SKP 8 ID FL3FA9NS0004 KNApSAcK_ID C00003984 NAME 5,7-Dihydroxyflavone 7-benzoate CAS_RN 106009-51-2 FORMULA C22H14O5 EXACTMASS 358.084123558 AVERAGEMASS 358.34356 SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1 M END