http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FFAGS0017 2026-05-18T05:19:35Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FFAGS0017&diff=190943&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 /> 34 37 0 0 0 0 0 0 0 0999 V2000<br /> -1.2680 -3.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6475 -4.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1934 -3.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3595 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9801 -2.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4343 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0946 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0716 -1.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6921 -1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1463 -2.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5784 -2.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8583 -1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3953 -0.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5648 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1972 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6601 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4907 -0.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4592 -1.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4269 -3.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4746 0.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0545 -3.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9804 -0.5234 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.6796 -1.0444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.2580 -0.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8400 -1.0444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.1409 -0.5234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.5624 -0.6886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.7827 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6040 -0.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8295 -0.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9582 -4.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9241 -4.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0396 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0396 -2.1618 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 /> 8 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 20 15 1 0 0 0 0<br /> 6 21 1 0 0 0 0<br /> 22 23 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 22 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 27 29 1 0 0 0 0<br /> 26 30 1 0 0 0 0<br /> 23 18 1 0 0 0 0<br /> 1 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 25 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 36<br /> M SMT 2 CH2OH<br /> M SVB 2 36 2.193 -1.0177<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 34<br /> M SMT 1 OCH3<br /> M SVB 1 34 -2.9075 0.7253<br /> S SKP 8<br /> ID FL5FFAGS0017<br /> KNApSAcK_ID C00005354<br /> NAME Herbacetin 7-methyl ether 3-glucoside<br /> CAS_RN 30484-94-7<br /> FORMULA C22H22O12<br /> EXACTMASS 478.111126168<br /> AVERAGEMASS 478.40288000000004<br /> SMILES c(c1)(ccc(C(=C2O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)Oc(c3O)c(c(O)cc3OC)C(=O)2)c1)O<br /> M END<br /> &lt;/pre&gt;</div>

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