http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL63AGNS0006 2026-08-22T01:39:43Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL63AGNS0006&diff=191721&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 /> -2.5545 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5545 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0160 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4774 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4774 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0160 1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9389 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4004 0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4004 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9389 1.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0927 1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1106 -0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0792 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6239 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1686 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1686 1.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6239 1.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0792 1.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0160 -0.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7128 1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6239 2.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7128 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1106 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3717 -1.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6203 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6203 -1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2063 -2.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7924 -1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7924 -1.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2063 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3782 -2.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7848 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4992 -2.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3782 -0.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0927 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 4 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 1 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 /> 8 12 1 6 0 0 0<br /> 9 13 1 6 0 0 0<br /> 13 14 2 0 0 0 0<br /> 14 15 1 0 0 0 0<br /> 15 16 2 0 0 0 0<br /> 16 17 1 0 0 0 0<br /> 17 18 2 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 16 20 1 0 0 0 0<br /> 17 21 1 0 0 0 0<br /> 15 22 1 0 0 0 0<br /> 12 23 1 0 0 0 0<br /> 23 24 2 0 0 0 0<br /> 23 25 1 0 0 0 0<br /> 25 26 2 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 28 2 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 29 30 2 0 0 0 0<br /> 30 25 1 0 0 0 0<br /> 28 31 1 0 0 0 0<br /> 27 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 29 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 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SBV 1 35 -7.7363 4.5654<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 34 35<br /> M SBL 2 1 37<br /> M SMT 2 OCH3<br /> M SBV 2 37 -6.7289 5.0727<br /> S SKP 8<br /> ID FL63AGNS0006<br /> KNApSAcK_ID C00008884<br /> NAME Epigallocatechin 3-O-(3,5-di-O-methylgallate)<br /> CAS_RN 173484-92-9<br /> FORMULA C24H22O11<br /> EXACTMASS 486.116211546<br /> AVERAGEMASS 486.42488000000003<br /> SMILES O(C(C3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(c(O)2)O)O)C(=O)c(c1)cc(OC)c(c(OC)1)O<br /> M END<br /> &lt;/pre&gt;</div>

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