http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FGGNS0009 2026-08-17T17:55:40Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FGGNS0009&diff=186936&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 /> 30 33 0 0 0 0 0 0 0 0999 V2000<br /> -2.0021 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0021 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4458 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8895 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8895 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4458 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3332 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2231 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2231 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3332 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3332 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7792 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3462 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9131 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9131 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3462 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7792 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5198 -0.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8619 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4666 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1678 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7313 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4458 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4458 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0650 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8619 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0870 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0152 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7166 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7085 -0.5952 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 /> 6 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 3 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 1 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 16 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 2 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 29 30<br /> M SBL 5 1 32<br /> M SMT 5 OCH3<br /> M SVB 5 32 -2.7166 -0.7222<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 27 28<br /> M SBL 4 1 30<br /> M SMT 4 OCH3<br /> M SVB 4 30 1.6296 1.7079<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 25 26<br /> M SBL 3 1 28<br /> M SMT 3 OCH3<br /> M SVB 3 28 -2.065 0.1988<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 23 24<br /> M SBL 2 1 26<br /> M SMT 2 OCH3<br /> M SVB 2 26 -1.8822 -1.2954<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 21 22<br /> M SBL 1 1 24<br /> M SMT 1 OCH3<br /> M SVB 1 24 -1.1678 0.7229<br /> S SKP 8<br /> ID FL3FGGNS0009<br /> KNApSAcK_ID C00004008<br /> NAME Eupalestin;Conyzorigun;5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one<br /> CAS_RN 73340-44-0<br /> FORMULA C21H20O9<br /> EXACTMASS 416.11073223799997<br /> AVERAGEMASS 416.37809999999996<br /> SMILES COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(c(OC)3)OC)OC)=O)cc(OCO2)1<br /> M END<br /> &lt;/pre&gt;</div>

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