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		<title>Mol:FL4DALNF0002 - Revision history</title>
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		<updated>2026-05-17T23:16:55Z</updated>
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		<id>http://metabolomics.jp/mediawiki/index.php?title=Mol:FL4DALNF0002&amp;diff=187383&amp;oldid=prev</id>
		<title>Editor at 00:00, 14 March 2009</title>
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				<updated>2009-03-14T00:00:00Z</updated>
		
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			&lt;td colspan='2' style=&quot;background-color: white; color:black;&quot;&gt;← Older revision&lt;/td&gt;
			&lt;td colspan='2' style=&quot;background-color: white; color:black;&quot;&gt;Revision as of 00:00, 14 March 2009&lt;/td&gt;
			&lt;/tr&gt;&lt;tr&gt;&lt;td colspan=&quot;2&quot; class=&quot;diff-lineno&quot;&gt;Line 1:&lt;/td&gt;
&lt;td colspan=&quot;2&quot; class=&quot;diff-lineno&quot;&gt;Line 1:&lt;/td&gt;&lt;/tr&gt;
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&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;Copyright: ARM project http://www.metabolome.jp/&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;Copyright: ARM project http://www.metabolome.jp/ &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
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&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 11 13&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 11 13&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 13 14&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 13 14&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 14 15&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 14 15&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 15 16&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 15 16&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 16 17&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 16 17&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 17 11&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 17 11&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160;&amp;#160; 8 18&amp;#160; 1&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160;&amp;#160; 8 18&amp;#160; 1&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 15 19&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 15 19&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160;&amp;#160; 2 20&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160;&amp;#160; 2 20&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160;&amp;#160; 6 21&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160;&amp;#160; 6 21&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 21 22&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 21 22&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 22 23&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 22 23&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 23&amp;#160; 1&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 23&amp;#160; 1&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 22 24&amp;#160; 1&amp;#160; 6&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 22 24&amp;#160; 1&amp;#160; 6&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 24 25&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 24 25&amp;#160; 2&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 24 26&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 24 26&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 17 27&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&amp;#160; 17 27&amp;#160; 1&amp;#160; 0&amp;#160; 0&amp;#160; 0&amp;#160; 0 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;S&amp;#160; SKP&amp;#160; 8&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;S&amp;#160; SKP&amp;#160; 8 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;ID	FL4DALNF0002&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;ID	FL4DALNF0002 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;KNApSAcK_ID	C00008626&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;KNApSAcK_ID	C00008626 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;NAME	Shuterone B&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;NAME	Shuterone B &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;CAS_RN	105454-03-3&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;CAS_RN	105454-03-3 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;FORMULA	C20H18O7&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;FORMULA	C20H18O7 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;EXACTMASS	370.10525293&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;EXACTMASS	370.10525293 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;AVERAGEMASS	370.35272&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;AVERAGEMASS	370.35272 &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;SMILES	c(c1O)c(O)ccc1C(O2)C(C(c(c(O)3)c2cc(O4)c3CC4C(C)=C)=O)O&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;+&lt;/td&gt;&lt;td style=&quot;background: #cfc; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;SMILES	c(c1O)c(O)ccc1C(O2)C(C(c(c(O)3)c2cc(O4)c3CC4C(C)=C)=O)O &amp;#160;&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;&amp;#160;&lt;/td&gt;&lt;td style=&quot;background: #eee; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;M&amp;#160; END&lt;/div&gt;&lt;/td&gt;&lt;td class='diff-marker'&gt;&amp;#160;&lt;/td&gt;&lt;td style=&quot;background: #eee; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;M&amp;#160; END&lt;/div&gt;&lt;/td&gt;&lt;/tr&gt;
&lt;tr&gt;&lt;td class='diff-marker'&gt;−&lt;/td&gt;&lt;td style=&quot;background: #ffa; color:black; font-size: smaller;&quot;&gt;&lt;div&gt;&lt;del style=&quot;color: red; font-weight: bold; text-decoration: none;&quot;&gt;&amp;lt;/pre&amp;gt;&lt;/del&gt;&lt;/div&gt;&lt;/td&gt;&lt;td colspan=&quot;2&quot;&gt;&amp;#160;&lt;/td&gt;&lt;/tr&gt;
&lt;/table&gt;</summary>
		<author><name>Editor</name></author>	</entry>

	<entry>
		<id>http://metabolomics.jp/mediawiki/index.php?title=Mol:FL4DALNF0002&amp;diff=187382&amp;oldid=prev</id>
		<title>Editor at 00:00, 7 October 2008</title>
		<link rel="alternate" type="text/html" href="http://metabolomics.jp/mediawiki/index.php?title=Mol:FL4DALNF0002&amp;diff=187382&amp;oldid=prev"/>
				<updated>2008-10-07T00:00:00Z</updated>
		
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    0.4227   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    0.9436   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    0.9436    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    0.4227    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    1.4640    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    0.4227   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    1.9983    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    2.5327    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    2.5327    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    1.9983    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    1.4640    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    1.4640   -0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    3.0662    1.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
   -0.6190   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
   -1.7119    0.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
   -2.0655   -0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
   -1.7119   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
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   -3.0662    0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
    0.9305    1.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0&lt;br /&gt;
  1  2  2  0  0  0  0&lt;br /&gt;
  2  3  1  0  0  0  0&lt;br /&gt;
  3  4  2  0  0  0  0&lt;br /&gt;
  4  5  1  0  0  0  0&lt;br /&gt;
  5  6  2  0  0  0  0&lt;br /&gt;
  6  1  1  0  0  0  0&lt;br /&gt;
  3  7  1  0  0  0  0&lt;br /&gt;
  7  8  1  0  0  0  0&lt;br /&gt;
  8  9  1  0  0  0  0&lt;br /&gt;
  9 10  1  0  0  0  0&lt;br /&gt;
 10  4  1  0  0  0  0&lt;br /&gt;
  9 11  1  1  0  0  0&lt;br /&gt;
  7 12  2  0  0  0  0&lt;br /&gt;
 11 13  2  0  0  0  0&lt;br /&gt;
 13 14  1  0  0  0  0&lt;br /&gt;
 14 15  2  0  0  0  0&lt;br /&gt;
 15 16  1  0  0  0  0&lt;br /&gt;
 16 17  2  0  0  0  0&lt;br /&gt;
 17 11  1  0  0  0  0&lt;br /&gt;
  8 18  1  1  0  0  0&lt;br /&gt;
 15 19  1  0  0  0  0&lt;br /&gt;
  2 20  1  0  0  0  0&lt;br /&gt;
  6 21  1  0  0  0  0&lt;br /&gt;
 21 22  1  0  0  0  0&lt;br /&gt;
 22 23  1  0  0  0  0&lt;br /&gt;
 23  1  1  0  0  0  0&lt;br /&gt;
 22 24  1  6  0  0  0&lt;br /&gt;
 24 25  2  0  0  0  0&lt;br /&gt;
 24 26  1  0  0  0  0&lt;br /&gt;
 17 27  1  0  0  0  0&lt;br /&gt;
S  SKP  8&lt;br /&gt;
ID	FL4DALNF0002&lt;br /&gt;
KNApSAcK_ID	C00008626&lt;br /&gt;
NAME	Shuterone B&lt;br /&gt;
CAS_RN	105454-03-3&lt;br /&gt;
FORMULA	C20H18O7&lt;br /&gt;
EXACTMASS	370.10525293&lt;br /&gt;
AVERAGEMASS	370.35272&lt;br /&gt;
SMILES	c(c1O)c(O)ccc1C(O2)C(C(c(c(O)3)c2cc(O4)c3CC4C(C)=C)=O)O&lt;br /&gt;
M  END&lt;br /&gt;
&amp;lt;/pre&amp;gt;&lt;/div&gt;</summary>
		<author><name>Editor</name></author>	</entry>

	</feed>