http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FDCGS0001 2026-05-18T16:33:22Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FDCGS0001&diff=190049&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 /> -0.6834 0.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6834 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1271 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4292 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4292 0.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1271 0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9855 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5418 -0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5418 0.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9855 0.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9855 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0979 0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6649 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2319 0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2319 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6649 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0979 1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2395 0.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1271 -1.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.7162 1.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6649 2.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1171 -1.3493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.6428 -2.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6646 -1.7693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.9103 -1.9474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.4966 -1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3540 -1.6174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.7162 -1.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7927 -2.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2996 -2.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0749 -1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6349 -0.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4078 -0.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2739 -1.2178 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 /> 1 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 20 15 1 0 0 0 0<br /> 16 21 1 0 0 0 0<br /> 22 23 1 1 0 0 0<br /> 23 24 1 1 0 0 0<br /> 25 24 1 1 0 0 0<br /> 25 26 1 0 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 /> 23 29 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 25 19 1 0 0 0 0<br /> 27 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 8 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 31 32<br /> M SBL 2 1 34<br /> M SMT 2 CH2OH<br /> M SVB 2 34 -2.0749 -1.0438<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 33 34<br /> M SBL 1 1 36<br /> M SMT 1 OCH3<br /> M SVB 1 36 1.7407 -0.4242<br /> S SKP 8<br /> ID FL5FDCGS0001<br /> KNApSAcK_ID C00005489<br /> NAME Quercetin 3-methyl ether 5-glucoside;2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one<br /> CAS_RN 53987-23-8<br /> FORMULA C22H22O12<br /> EXACTMASS 478.111126168<br /> AVERAGEMASS 478.40288000000004<br /> SMILES [C@@H](Oc(c24)cc(cc(OC(=C(OC)C(=O)4)c(c3)ccc(c3O)O)2)O)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O<br /> M END<br /> &lt;/pre&gt;</div>

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