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<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 35 38 0 0 0 0 0 0 0 0999 V2000<br /> -0.6458 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6458 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0552 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7563 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7563 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0552 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4572 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1583 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1584 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4573 0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4572 -2.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8591 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5735 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2881 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2879 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5735 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8591 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0551 -2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3626 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.0025 1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.2799 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7190 -0.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9112 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1317 -0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6981 0.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4048 0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.0025 0.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4396 -0.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1994 -0.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5736 2.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9658 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.7010 1.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1523 1.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2520 -1.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4506 -2.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 1 0 0 0 0<br /> 2 3 2 0 0 0 0<br /> 3 4 1 0 0 0 0<br /> 4 5 2 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 2 0 0 0 0<br /> 4 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 2 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 9 12 1 0 0 0 0<br /> 12 13 2 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 14 15 2 0 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 3 18 1 0 0 0 0<br /> 19 1 1 0 0 0 0<br /> 15 20 1 0 0 0 0<br /> 21 22 1 1 0 0 0<br /> 22 23 1 1 0 0 0<br /> 24 23 1 1 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 21 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 19 1 0 0 0 0<br /> 16 30 1 0 0 0 0<br /> 31 32 2 0 0 0 0<br /> 31 33 1 0 0 0 0<br /> 26 31 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> 2 34 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 3 31 32 33<br /> M SBL 1 1 36<br /> M SMT 1 ^ COOH<br /> M SBV 1 36 0.5610 -0.6022<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 34 35<br /> M SBL 2 1 38<br /> M SMT 2 ^ OCH3<br /> M SBV 2 38 0.6061 0.3500<br /> S SKP 5<br /> ID FL3FECGS0038<br /> FORMULA C22H20O13<br /> EXACTMASS 492.090390726<br /> AVERAGEMASS 492.3864<br /> SMILES COc(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(c(c2c3)C(=O)C=C(O2)c(c1)ccc(c1O)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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