http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FECGS0004 2026-05-16T16:24:12Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FECGS0004&diff=190469&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 /> -0.3995 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3995 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1568 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7131 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7131 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1568 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2694 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8257 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8257 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2694 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2694 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3818 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9487 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5157 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5157 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9487 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3818 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9556 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1568 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9487 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.0825 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9556 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4423 -0.0232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.0154 -0.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.4006 -0.3477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.8074 -0.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.2384 0.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8664 -0.1356 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.6809 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0483 -0.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.0825 -0.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9863 -1.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7979 -1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0674 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.0225 1.0474 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 /> 24 29 1 0 0 0 0<br /> 25 30 1 0 0 0 0<br /> 26 18 1 0 0 0 0<br /> 23 31 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 -3.0674 0.7512<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 1.818 -1.2148<br /> S SKP 8<br /> ID FL5FECGS0004<br /> KNApSAcK_ID C00005636<br /> NAME Quercetagetin 3-methyl ether 7-glucoside<br /> CAS_RN 76060-29-2<br /> FORMULA C22H22O13<br /> EXACTMASS 494.10604078999995<br /> AVERAGEMASS 494.40228<br /> SMILES O(C)C(=C3c(c4)ccc(c4O)O)C(c(c(O3)2)c(O)c(O)c(c2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)=O<br /> M END<br /> &lt;/pre&gt;</div>

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