http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL1CG9NI0003 2026-06-06T14:22:36Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL1CG9NI0003&diff=182128&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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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; 7&#160; 8&#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&#160; 8&#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; 7&#160; 9&#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; 9&#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; 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;&#160; 9 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; 9 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; 2&#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; 2&#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; 10 12&#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; 10 12&#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; 12 13&#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; 12 13&#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; 13 14&#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; 13 14&#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; 14 15&#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; 14 15&#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 16&#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; 15 16&#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; 16 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; 16 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; 16 17&#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; 16 17&#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 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; 18 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; 13 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; 13 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; 19 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; 19 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 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; 20 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; 20 22&#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; 20 22&#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; 21 23&#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 23&#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 24&#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 24&#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 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; 23 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; 15 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; 15 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 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; 26 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; 12 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; 12 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; 28 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; 28 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>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; 26&#160; 27</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; 26&#160; 27 &#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; 27</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; 27 &#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 ^OCH3</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 1 ^OCH3 &#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 27&#160; -6.6300&#160; &#160; 2.8635</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SBV&#160; 1 27&#160; -6.6300&#160; &#160; 2.8635 &#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; 2 SUP</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; STY&#160; 1&#160; 2 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; 2&#160; 2</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SLB&#160; 1&#160; 2&#160; 2 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SAL&#160; 2&#160; 2&#160; 28&#160; 29</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SAL&#160; 2&#160; 2&#160; 28&#160; 29 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SBL&#160; 2&#160; 1&#160; 29</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SBL&#160; 2&#160; 1&#160; 29 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 2 OCH3</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 2 OCH3 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SBV&#160; 2 29&#160; -5.3630&#160; &#160; 3.0890</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SBV&#160; 2 29&#160; -5.3630&#160; &#160; 3.0890 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>S&#160; SKP&#160; 8</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>S&#160; SKP&#160; 8 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>ID FL1CG9NI0003</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>ID FL1CG9NI0003 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>KNApSAcK_ID C00007119</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>KNApSAcK_ID C00007119 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>NAME Valafolone</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>NAME Valafolone &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>CAS_RN 129724-41-0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>CAS_RN 129724-41-0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>FORMULA C22H24O7</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>FORMULA C22H24O7 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>EXACTMASS 400.152203122</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>EXACTMASS 400.152203122 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>AVERAGEMASS 400.42176000000006</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>AVERAGEMASS 400.42176000000006 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>SMILES C(C(=O)c(c(OC)2)c(c(c(O)c2OC(CC(C)C)=O)OC)O)=Cc(c1)cccc1</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>SMILES C(C(=O)c(c(OC)2)c(c(c(O)c2OC(CC(C)C)=O)OC)O)=Cc(c1)cccc1 &#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:FL1CG9NI0003&diff=182127&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 /> 29 30 0 0 0 0 0 0 0 0999 V2000<br /> 1.6704 -0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6704 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2267 -1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7830 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7830 -0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2267 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5371 -1.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0934 -1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0190 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5799 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0190 -2.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5799 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1325 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6852 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6852 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1325 -1.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1325 -2.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2792 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1325 0.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6839 0.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6839 1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2340 0.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2340 1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7830 1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2340 2.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3997 -1.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6852 -1.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0274 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6871 -0.7183 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 /> 7 8 2 0 0 0 0<br /> 7 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 9 11 2 0 0 0 0<br /> 2 8 1 0 0 0 0<br /> 10 12 2 0 0 0 0<br /> 12 13 1 0 0 0 0<br /> 13 14 2 0 0 0 0<br /> 14 15 1 0 0 0 0<br /> 15 16 2 0 0 0 0<br /> 16 10 1 0 0 0 0<br /> 16 17 1 0 0 0 0<br /> 18 14 1 0 0 0 0<br /> 13 19 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 20 22 2 0 0 0 0<br /> 21 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 23 25 1 0 0 0 0<br /> 15 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 12 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 26 27<br /> M SBL 1 1 27<br /> M SMT 1 ^OCH3<br /> M SBV 1 27 -6.6300 2.8635<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 28 29<br /> M SBL 2 1 29<br /> M SMT 2 OCH3<br /> M SBV 2 29 -5.3630 3.0890<br /> S SKP 8<br /> ID FL1CG9NI0003<br /> KNApSAcK_ID C00007119<br /> NAME Valafolone<br /> CAS_RN 129724-41-0<br /> FORMULA C22H24O7<br /> EXACTMASS 400.152203122<br /> AVERAGEMASS 400.42176000000006<br /> SMILES C(C(=O)c(c(OC)2)c(c(c(O)c2OC(CC(C)C)=O)OC)O)=Cc(c1)cccc1<br /> M END<br /> &lt;/pre&gt;</div>

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