http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FGLNS0004 2026-04-18T02:07:14Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FGLNS0004&diff=186950&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 /> 30 32 0 0 0 0 0 0 0 0999 V2000<br /> -2.0211 -1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2408 -1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8734 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2863 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0666 -2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4340 -2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9189 -1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.3318 -2.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1121 -2.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4795 -2.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.0902 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.5249 -3.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.1695 -3.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.5904 -3.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.3665 -4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.7217 -4.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.3009 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0930 -0.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5213 -1.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2966 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4737 -2.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7076 -2.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.5752 -3.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -7.5600 -3.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7536 -4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9875 -4.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4992 -2.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6017 -3.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.7871 -4.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.5996 -4.4866 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 /> 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 /> 3 18 1 0 0 0 0<br /> 2 19 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 1 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 14 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 17 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 6 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 15 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> M STY 1 6 SUP<br /> M SLB 1 6 6<br /> M SAL 6 2 29 30<br /> M SBL 6 1 31<br /> M SMT 6 OCH3<br /> M SVB 6 31 2.241 1.3086<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 27 28<br /> M SBL 5 1 29<br /> M SMT 5 OCH3<br /> M SVB 5 29 -1.4067 0.8998<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 25 26<br /> M SBL 4 1 27<br /> M SMT 4 OCH3<br /> M SVB 4 27 0.183 1.6001<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 23 24<br /> M SBL 3 1 25<br /> M SMT 3 OCH3<br /> M SVB 3 25 1.8838 0.1204<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 21 22<br /> M SBL 2 1 23<br /> M SMT 2 OCH3<br /> M SVB 2 23 -2.5983 0.6243<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 19 20<br /> M SBL 1 1 21<br /> M SMT 1 OCH3<br /> M SVB 1 21 -2.9555 -0.5453<br /> S SKP 8<br /> ID FL3FGLNS0004<br /> KNApSAcK_ID C00003968<br /> NAME Agehoustin E<br /> CAS_RN 111316-37-1<br /> FORMULA C21H22O9<br /> EXACTMASS 418.126382302<br /> AVERAGEMASS 418.39398<br /> SMILES COc(c1)c(C(O3)=CC(c(c32)c(c(c(c(OC)2)OC)OC)O)=O)cc(OC)c1OC<br /> M END<br /> &lt;/pre&gt;</div>

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