http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FECNS0042 2026-05-27T05:29:16Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FECNS0042&diff=190699&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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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; 14 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; 14 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; 18 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; 18 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 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; 20 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;&#160; 3 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;&#160; 3 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;&#160; 8 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;&#160; 8 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; 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 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;&#160; 2 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;&#160; 2 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; 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;&#160; 1 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;&#160; 1 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>M&#160; STY&#160; 1&#160; 3 SUP</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; STY&#160; 1&#160; 3 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; 3&#160; 3</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SLB&#160; 1&#160; 3&#160; 3 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SAL&#160; 3&#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; 3&#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; 3&#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; 3&#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; 3&#160; OCH3</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 3&#160; OCH3 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SVB&#160; 3 29&#160; -2.4614&#160; &#160; &#160; 0.77</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SVB&#160; 3 29&#160; -2.4614&#160; &#160; &#160; 0.77 &#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; 24&#160; 25</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; 24&#160; 25 &#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; 27</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; 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; 2&#160; OCH3</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 2&#160; OCH3 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SVB&#160; 2 27&#160; -2.8186&#160; -0.3996</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SVB&#160; 2 27&#160; -2.8186&#160; -0.3996 &#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; 22&#160; 23</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; 22&#160; 23 &#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; 25</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; 25 &#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&#160; OCH3</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SMT&#160; 1&#160; OCH3 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>M&#160; SVB&#160; 1 25&#160; &#160; 0.3314&#160; -0.6761</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>M&#160; SVB&#160; 1 25&#160; &#160; 0.3314&#160; -0.6761 &#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 FL5FECNS0042</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>ID FL5FECNS0042 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>KNApSAcK_ID C00005053</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>KNApSAcK_ID C00005053 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>NAME Melisimplin;5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>NAME Melisimplin;5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>CAS_RN 485-53-0</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>CAS_RN 485-53-0 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>FORMULA C19H16O8</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>FORMULA C19H16O8 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>EXACTMASS 372.08451748799996</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>EXACTMASS 372.08451748799996 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>AVERAGEMASS 372.32554</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>AVERAGEMASS 372.32554 &#160;</div></td></tr> <tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>SMILES c(c4OC)c(O1)c(c(c4OC)O)C(C(=C1c(c3)cc(c2c3)OCO2)OC)=O</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>SMILES c(c4OC)c(O1)c(c(c4OC)O)C(C(=C1c(c3)cc(c2c3)OCO2)OC)=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:FL5FECNS0042&diff=190698&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 /> 27 30 0 0 0 0 0 0 0 0999 V2000<br /> -2.2987 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2427 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7689 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3510 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4070 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8809 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8772 -0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4594 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.5154 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9892 -1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8336 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.0974 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.6337 -1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.2270 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.2840 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.7478 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.1544 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.8296 -1.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -7.2592 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.9220 -2.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7129 -0.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.2786 -0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.0977 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5762 -1.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1597 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9967 -2.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5739 -3.3108 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 /> 14 18 1 0 0 0 0<br /> 18 19 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 20 15 1 0 0 0 0<br /> 3 21 1 0 0 0 0<br /> 8 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 2 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 1 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 26 27<br /> M SBL 3 1 29<br /> M SMT 3 OCH3<br /> M SVB 3 29 -2.4614 0.77<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 24 25<br /> M SBL 2 1 27<br /> M SMT 2 OCH3<br /> M SVB 2 27 -2.8186 -0.3996<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 22 23<br /> M SBL 1 1 25<br /> M SMT 1 OCH3<br /> M SVB 1 25 0.3314 -0.6761<br /> S SKP 8<br /> ID FL5FECNS0042<br /> KNApSAcK_ID C00005053<br /> NAME Melisimplin;5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one<br /> CAS_RN 485-53-0<br /> FORMULA C19H16O8<br /> EXACTMASS 372.08451748799996<br /> AVERAGEMASS 372.32554<br /> SMILES c(c4OC)c(O1)c(c(c4OC)O)C(C(=C1c(c3)cc(c2c3)OCO2)OC)=O<br /> M END<br /> &lt;/pre&gt;</div>

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