http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL4DACNN0003 2026-06-21T01:18:50Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL4DACNN0003&diff=187331&oldid=prev 2009-03-14T00:00:00Z

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<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 35 39 0 0 0 0 0 0 0 0999 V2000<br /> -3.1239 -1.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6030 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0821 -1.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0821 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6030 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1239 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5612 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0403 -1.1689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.0403 -0.5674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.5612 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5612 -1.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6030 -2.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4562 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0657 -0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5876 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5876 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0657 0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4562 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5043 -1.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1091 0.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6306 -0.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0972 -0.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6069 -0.2302 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.6069 0.3583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 2.1225 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6253 0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1281 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1281 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6253 1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1225 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1281 1.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8765 2.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2872 2.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4677 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4574 -1.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 2 12 1 0 0 0 0<br /> 9 13 1 6 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 17 1 0 0 0 0<br /> 17 18 2 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 8 19 1 1 0 0 0<br /> 16 20 1 0 0 0 0<br /> 6 21 1 0 0 0 0<br /> 15 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 20 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 2 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 28 2 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 29 30 2 0 0 0 0<br /> 30 25 1 0 0 0 0<br /> 28 31 1 0 0 0 0<br /> 29 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 23 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 34 35<br /> M SBL 2 1 38<br /> M SMT 2 CH2OH<br /> M SVB 2 38 1.7593 -0.4364<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 36<br /> M SMT 1 OCH3<br /> M SVB 1 36 2.8765 2.0705<br /> S SKP 8<br /> ID FL4DACNN0003<br /> KNApSAcK_ID C00008662<br /> NAME Isosilybin<br /> CAS_RN 72581-71-6<br /> FORMULA C25H22O10<br /> EXACTMASS 482.121296924<br /> AVERAGEMASS 482.43618000000004<br /> SMILES c(c1)(c(cc(C(O2)C(Oc(c3)c2ccc([C@H]([C@@H](O)5)Oc(c4C5=O)cc(O)cc4O)3)CO)c1)OC)O<br /> M END<br /> &lt;/pre&gt;</div>

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