http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFLIAEAGS0001 2026-05-17T19:57:22Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FLIAEAGS0001&diff=193801&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 /> 33 36 0 0 0 0 0 0 0 0999 V2000<br /> -0.3493 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3493 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1511 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6516 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6516 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1511 0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1520 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6525 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6525 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1520 0.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8494 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1520 -0.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1526 -0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1526 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6167 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0809 -0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0809 -0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6167 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5441 -1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2162 0.6015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.7082 0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.0841 0.4492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.3659 0.4492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.8738 0.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4980 0.6015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -2.0841 -0.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5933 0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1841 -0.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1511 -0.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4835 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2312 1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0492 -0.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3912 -1.2503 0.0000 C 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 /> 1 11 1 0 0 0 0<br /> 7 12 2 0 0 0 0<br /> 8 13 1 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 18 1 0 0 0 0<br /> 18 13 2 0 0 0 0<br /> 16 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 /> 23 11 1 0 0 0 0<br /> 22 26 1 0 0 0 0<br /> 20 27 1 0 0 0 0<br /> 21 28 1 0 0 0 0<br /> 3 29 1 0 0 0 0<br /> 25 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 2 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 30 31<br /> M SBL 2 1 33<br /> M SMT 2 CH2OH<br /> M SVB 2 33 -2.5535 0.9999<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 -1.0638 0.0030<br /> S SKP 8<br /> ID FLIAEAGS0001<br /> KNApSAcK_ID C00002576<br /> NAME Tectoridin;Shekanin;Shekkanin;Tectorigenin 7-O-glucoside<br /> CAS_RN 611-40-5<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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