http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FFAGSS002 2026-04-27T21:21:32Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FFAGSS002&diff=186650&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 /> 37 40 0 0 0 0 0 0 0 0999 V2000<br /> -1.8554 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8554 -2.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1542 -2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4531 -2.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4531 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1542 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2479 -2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9492 -2.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9492 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2479 -1.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2479 -3.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6501 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3646 -1.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0792 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0792 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3646 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6501 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1542 -3.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5723 -1.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.7938 -0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1486 -0.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2126 2.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9223 2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5006 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6289 0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8594 1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2975 2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6234 3.5801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9608 2.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2544 0.6544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0760 0.6544 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0760 1.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7938 0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0760 -0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6691 2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6691 3.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2220 2.1976 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 /> 3 18 1 0 0 0 0<br /> 19 1 1 0 0 0 0<br /> 15 20 1 0 0 0 0<br /> 22 23 1 1 0 0 0<br /> 23 24 1 1 0 0 0<br /> 25 24 1 1 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 25 21 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 6 21 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 31 32 2 0 0 0 0<br /> 31 33 1 0 0 0 0<br /> 31 34 2 0 0 0 0<br /> 30 24 1 0 0 0 0<br /> 35 36 2 0 0 0 0<br /> 35 37 1 0 0 0 0<br /> 27 35 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 3 35 36 37<br /> M SBL 1 1 40<br /> M SMT 1 COOH<br /> M SBV 1 40 -0.6284 -0.7118<br /> S SKP 5<br /> ID FL3FFAGSS002<br /> FORMULA C21H18O15S<br /> EXACTMASS 542.036640596<br /> AVERAGEMASS 542.42462<br /> SMILES c(c4)(O)c(c(c(c4O)3)OC(=CC(=O)3)c(c2)ccc(O)c2)OC(C(OS(O)(=O)=O)1)OC(C(O)=O)C(C1O)O<br /> M END<br /> &lt;/pre&gt;</div>

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