http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FAAGS0004 2026-08-22T11:18:39Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FAAGS0004&diff=188183&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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&#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; &#160; 3.2436&#160; -1.7831&#160; &#160; 0.0000 C&#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; &#160; 3.2436&#160; -1.7831&#160; &#160; 0.0000 C&#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; &#160; 3.6596&#160; -2.5035&#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; &#160; 3.6596&#160; -2.5035&#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;&#160; 1 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;&#160; 1 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;&#160; 3 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; 3 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; 21 22&#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 22&#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 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; 25 24&#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; 25 24&#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; 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; 26 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; 26 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; 25 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; 25 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; 22 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; 22 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; 20&#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; 20&#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; 15 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; 15 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; 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; 31 32&#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 32&#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 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; 24 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; 2&#160; 31&#160; 32</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SAL&#160; 1&#160; 2&#160; 31&#160; 32 &#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; 35</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; 35 &#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 CH2OH</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 1 CH2OH &#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; 35&#160; -0.7904&#160; &#160; 0.1739</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SBV&#160; 1&#160; 35&#160; -0.7904&#160; &#160; 0.1739 &#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 FL5FAAGS0004</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>ID FL5FAAGS0004 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>FORMULA C21H20O11</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>FORMULA C21H20O11 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>EXACTMASS 448.100561482</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>EXACTMASS 448.100561482 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>AVERAGEMASS 448.3769</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>AVERAGEMASS 448.3769 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O &#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:FL5FAAGS0004&diff=188182&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 /> 32 35 0 0 0 0 0 0 0 0999 V2000<br /> -2.9587 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9587 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2576 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5565 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5565 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2576 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8554 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1543 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1543 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8554 1.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8554 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5466 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2612 0.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9757 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9757 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2612 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5466 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6596 1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2576 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6832 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8245 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1475 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9058 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4533 -1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1303 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3720 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2577 -0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6303 -1.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6160 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6900 2.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2436 -1.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6596 -2.5035 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 /> 1 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 23 1 1 0 0 0<br /> 25 24 1 1 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 /> 26 28 1 0 0 0 0<br /> 25 29 1 0 0 0 0<br /> 22 20 1 0 0 0 0<br /> 20 8 1 0 0 0 0<br /> 15 30 1 0 0 0 0<br /> 24 23 1 1 0 0 0<br /> 31 32 1 0 0 0 0<br /> 24 31 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 35<br /> M SMT 1 CH2OH<br /> M SBV 1 35 -0.7904 0.1739<br /> S SKP 5<br /> ID FL5FAAGS0004<br /> FORMULA C21H20O11<br /> EXACTMASS 448.100561482<br /> AVERAGEMASS 448.3769<br /> SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)C(C(O)1)OC(CO)C(O)C1O<br /> M END<br /> &lt;/pre&gt;</div>

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