http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FECGS0003 2026-05-15T17:04:17Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FECGS0003&diff=190467&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 38 0 0 0 0 0 0 0 0999 V2000<br /> -0.5325 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5325 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0238 -0.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5801 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5801 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0238 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1364 -0.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6927 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6927 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1364 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1364 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2488 0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8157 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3827 0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3827 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8157 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2488 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0886 0.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0238 -1.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8157 2.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9495 1.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0886 -0.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4722 -1.1767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.0453 -1.7403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.4305 -1.5012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.8372 -1.4948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.2683 -1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8963 -1.2891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -4.0211 -1.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4483 -2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0782 -2.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8534 -0.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6649 -0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1839 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1708 -0.3675 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 /> 1 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 16 20 1 0 0 0 0<br /> 15 21 1 0 0 0 0<br /> 2 22 1 0 0 0 0<br /> 23 24 1 1 0 0 0<br /> 24 25 1 1 0 0 0<br /> 26 25 1 1 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 28 23 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 25 31 1 0 0 0 0<br /> 26 22 1 0 0 0 0<br /> 8 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 28 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 37<br /> M SMT 2 CH2OH<br /> M SVB 2 37 -3.1839 -0.5288<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 1.685 -0.904<br /> S SKP 8<br /> ID FL5FECGS0003<br /> KNApSAcK_ID C00005635<br /> NAME Quercetagetin 3-methyl ether 6-glucoside<br /> CAS_RN 64190-89-2<br /> FORMULA C22H22O13<br /> EXACTMASS 494.10604078999995<br /> AVERAGEMASS 494.40228<br /> SMILES O=C(c23)C(OC)=C(Oc2cc(c(O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)c(O)3)O)c(c1)ccc(c1O)O<br /> M END<br /> &lt;/pre&gt;</div>

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