Mol:FL5FAAGL0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.5021 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 0.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3284 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 2.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2658 1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 1.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 3.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 4.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 4.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 3.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 0.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7788 -1.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0998 4.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 3.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 4.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 4.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1267 4.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0716 4.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5603 4.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 4.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 5.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0998 4.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 -4.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 -4.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0859 -2.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0806 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -2.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0453 -3.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 -5.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7086 -4.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4266 -1.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 4.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 2.9823 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 8 21 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 19 1 0 0 0 0 40 41 1 0 0 0 0 25 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 CH2OH M SBV 1 45 -0.7963 -0.1178 S SKP 5 ID FL5FAAGL0013 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES OC(C(O)5)C(OCC5O)Oc(c1)cc(O)c(C(=O)3)c1OC(=C3OC(C(O)4)OC(C(C(O)4)O)CO)c(c2)ccc(c2)O M END
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