Mol:FL3FECGS0014
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 0.2344 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -2.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0853 1.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 -2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 0.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 -1.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3954 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0267 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 0.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0172 -0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3265 -0.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5093 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 0.4257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5093 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2925 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2577 2.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8885 1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0853 0.0704 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 21 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 33 29 1 0 0 0 0 S SKP 5 ID FL3FECGS0014 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(c5O)cc(cc5O)C(O1)=CC(c(c2O)c(cc(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)c(O)2)1)=O M END
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