http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FAAGLS001 2026-04-12T21:46:17Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FAAGLS001&diff=188165&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 /> 36 39 0 0 0 0 0 0 0 0999 V2000<br /> -2.1033 -1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6113 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0077 -2.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8962 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3882 -1.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9918 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2925 -1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1810 -0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6730 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2767 -0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0912 -1.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5635 0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0516 0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1654 1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3362 1.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9514 1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0651 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8244 -2.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3633 2.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5766 -2.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1578 -0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7579 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5519 -1.3498 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9211 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3686 -0.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0943 -1.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9883 -0.1300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 1.3900 -0.6602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.9684 -0.4353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.5266 -0.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.1210 -0.0235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.6149 -0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7638 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5266 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3517 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0700 1.1780 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 /> 31 35 1 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 35 36<br /> M SBL 1 1 38<br /> M SMT 1 CH2OH<br /> M SVB 1 38 2.4547 -0.0447<br /> S SKP 8<br /> ID FL5FAAGLS001<br /> KNApSAcK_ID C00006063<br /> NAME Kaempferol 3-(3''-sulfatoglucoside)<br /> CAS_RN 85290-33-1<br /> FORMULA C21H20O14S<br /> EXACTMASS 528.057376038<br /> AVERAGEMASS 528.4411<br /> SMILES OCC([C@@H](O)1)O[C@H](OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)[C@H](O)[C@@H]1OS(O)(=O)=O<br /> M END<br /> &lt;/pre&gt;</div>

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