http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FAACSS001 2026-05-16T21:48:59Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FAACSS001&diff=184630&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 /> -1.3834 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3834 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8271 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2708 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2708 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8271 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2855 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8418 -1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8418 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2855 -0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2855 -2.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3979 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9649 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5318 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5318 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9649 0.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3979 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0986 0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9395 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5817 1.8640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.1873 1.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.9304 0.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.9235 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.4602 0.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7652 1.1483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -1.0917 2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2221 2.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5658 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5830 -0.8394 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5830 -0.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0986 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5830 -1.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8271 -2.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2383 1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2187 2.0635 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 /> 15 18 1 0 0 0 0<br /> 1 19 1 0 0 0 0<br /> 20 21 1 1 0 0 0<br /> 21 22 1 1 0 0 0<br /> 23 22 1 1 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 20 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 6 23 1 0 0 0 0<br /> 29 30 2 0 0 0 0<br /> 29 31 1 0 0 0 0<br /> 29 32 2 0 0 0 0<br /> 19 29 1 0 0 0 0<br /> 3 33 1 0 0 0 0<br /> 25 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 34 35<br /> M SBL 1 1 37<br /> M SMT 1 CH2OH<br /> M SVB 1 37 -0.2383 1.1741<br /> S SKP 8<br /> ID FL3FAACSS001<br /> KNApSAcK_ID C00006087<br /> NAME Vitexin 7-O-sulfate<br /> CAS_RN -<br /> FORMULA C21H20O13S<br /> EXACTMASS 512.062461416<br /> AVERAGEMASS 512.4417<br /> SMILES c(c(OS(O)(=O)=O)1)c(c(C(=O)4)c(OC(=C4)c(c3)ccc(O)c3)c1[C@@H]([C@H]2O)OC(CO)[C@@H]([C@@H]2O)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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