http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FACGLS001 2026-04-13T02:54:02Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FACGLS001&diff=188869&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 /> -2.1034 -2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6114 -2.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0078 -2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8962 -1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3883 -1.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9919 -1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2926 -1.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1811 -0.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6731 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2767 -0.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0911 -1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5636 0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0516 0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1653 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3362 1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9515 1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0652 0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8245 -2.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3634 2.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5766 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1578 -0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7579 -2.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5518 -1.6412 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9210 -1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3686 -1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0942 -1.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9883 -0.4214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 1.3900 -0.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.9684 -0.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.5266 -0.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.1210 -0.3150 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.6149 -0.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7638 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5266 -0.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4529 1.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3517 -0.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0696 0.8865 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 /> 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 /> 4 3 1 0 0 0 0<br /> 1 18 1 0 0 0 0<br /> 15 19 1 0 0 0 0<br /> 20 3 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 24 2 0 0 0 0<br /> 23 25 1 0 0 0 0<br /> 23 26 2 0 0 0 0<br /> 8 21 1 0 0 0 0<br /> 27 28 1 1 0 0 0<br /> 28 29 1 1 0 0 0<br /> 30 29 1 1 0 0 0<br /> 30 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 32 27 1 0 0 0 0<br /> 28 33 1 0 0 0 0<br /> 30 34 1 0 0 0 0<br /> 27 21 1 0 0 0 0<br /> 25 29 1 0 0 0 0<br /> 16 35 1 0 0 0 0<br /> 31 36 1 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 36 37<br /> M SBL 1 1 39<br /> M SMT 1 CH2OH<br /> M SVB 1 39 2.4547 -0.3361<br /> S SKP 8<br /> ID FL5FACGLS001<br /> KNApSAcK_ID C00006068<br /> NAME Quercetin 3-(3''-sulfatoglucoside)<br /> CAS_RN 86203-13-6<br /> FORMULA C21H20O15S<br /> EXACTMASS 544.0522906599999<br /> AVERAGEMASS 544.4404999999999<br /> SMILES OCC([C@@H](O)1)O[C@H](OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)[C@H](O)[C@@H]1OS(O)(=O)=O<br /> M END<br /> &lt;/pre&gt;</div>

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