http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FF8GS0006 2026-05-17T18:38:37Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FF8GS0006&diff=186522&oldid=prev 2009-03-14T00:00:00Z

<p></p> <table class='diff diff-contentalign-left'> <col class='diff-marker' /> <col class='diff-content' /> <col class='diff-marker' /> <col class='diff-content' /> <tr valign='top'> <td colspan='2' style="background-color: white; color:black;">← Older revision</td> <td colspan='2' style="background-color: white; color:black;">Revision as of 00:00, 14 March 2009</td> </tr><tr><td colspan="2" class="diff-lineno">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div><del class="diffchange diffchange-inline">&lt;pre&gt;</del></div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins class="diffchange diffchange-inline"> </ins></div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; 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font-size: smaller;"><div>&#160;&#160; -4.7356&#160; &#160; 0.9785&#160; &#160; 0.0000 O&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; -3.1969&#160; &#160; 1.8669&#160; &#160; 0.0000 O&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; -3.1969&#160; &#160; 1.8669&#160; &#160; 0.0000 O&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 1&#160; 2&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 1&#160; 2&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 2&#160; 3&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 2&#160; 3&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 3&#160; 4&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 3&#160; 4&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 4&#160; 5&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 4&#160; 5&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 5&#160; 6&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 5&#160; 6&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 6&#160; 1&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 6&#160; 1&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 4&#160; 7&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 4&#160; 7&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 7&#160; 8&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 7&#160; 8&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 8&#160; 9&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 8&#160; 9&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 9 10&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 9 10&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 10&#160; 5&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 10&#160; 5&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 7 11&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 7 11&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 9 12&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 9 12&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 12 13&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 12 13&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 13 14&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 13 14&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 14 15&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 14 15&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 15 16&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 15 16&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 16 17&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 16 17&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 17 12&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 17 12&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 18&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 18&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 6 19&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 6 19&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160;&#160; 3 20&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160;&#160; 3 20&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 21 22&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 21 22&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 22 23&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 22 23&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 24 23&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 24 23&#160; 1&#160; 1&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 24 25&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 24 25&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 25 26&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 25 26&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 26 21&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 26 21&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 21 27&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 21 27&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 22 28&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 22 28&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 23 29&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 23 29&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 24 18&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 24 18&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 17 30&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 17 30&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 31 32&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 31 32&#160; 2&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 31 33&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 31 33&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>&#160; 26 31&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>&#160; 26 31&#160; 1&#160; 0&#160; 0&#160; 0&#160; 0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; STY&#160; 1&#160; 1 SUP</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; STY&#160; 1&#160; 1 SUP &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SLB&#160; 1&#160; 1&#160; 1</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SLB&#160; 1&#160; 1&#160; 1 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SAL&#160; 1&#160; 3&#160; 31&#160; 32&#160; 33</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SAL&#160; 1&#160; 3&#160; 31&#160; 32&#160; 33 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SBL&#160; 1&#160; 1&#160; 36</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SBL&#160; 1&#160; 1&#160; 36 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 1 ^COOH</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 1 ^COOH &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SBV&#160; 1&#160; 36&#160; &#160; 0.7137&#160; -0.6295</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SBV&#160; 1&#160; 36&#160; &#160; 0.7137&#160; -0.6295 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>S&#160; SKP&#160; 5</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>S&#160; SKP&#160; 5 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>ID FL3FF8GS0006</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>ID FL3FF8GS0006 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>FORMULA C21H18O12</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>FORMULA C21H18O12 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>EXACTMASS 462.07982604</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>EXACTMASS 462.07982604 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>AVERAGEMASS 462.36042</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>AVERAGEMASS 462.36042 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O &#160;</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>M&#160; END</div></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>M&#160; END</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div><del style="color: red; font-weight: bold; text-decoration: none;">&lt;/pre&gt;</del></div></td><td colspan="2">&#160;</td></tr> </table>

Editor http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FF8GS0006&diff=186521&oldid=prev 2008-10-07T00:00:00Z

<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 33 36 0 0 0 0 0 0 0 0999 V2000<br /> -0.1986 0.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1986 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5024 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2035 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2035 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5024 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9047 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6056 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6056 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9047 0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9047 -1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3065 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.0209 0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.7356 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.7356 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.0209 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3065 1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9155 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5313 1.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5024 -1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8500 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2461 -0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5041 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6502 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2540 0.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9961 0.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.5730 0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.0230 -0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7254 -0.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5921 1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7098 0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.7356 0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1969 1.8669 0.0000 O 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 /> 18 1 1 0 0 0 0<br /> 6 19 1 0 0 0 0<br /> 3 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 18 1 0 0 0 0<br /> 17 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 /> 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 0.7137 -0.6295<br /> S SKP 5<br /> ID FL3FF8GS0006<br /> FORMULA C21H18O12<br /> EXACTMASS 462.07982604<br /> AVERAGEMASS 462.36042<br /> SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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