http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FCAGS0003 2026-04-13T02:54:08Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FCAGS0003&diff=185955&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 /> 38 41 0 0 0 0 0 0 0 0999 V2000<br /> 0.3924 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3924 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8435 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2946 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2946 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8435 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7456 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1967 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1967 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7456 0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9173 -0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6476 0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1073 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5670 0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5670 1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1073 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6476 1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.0266 1.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8435 -0.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5190 -0.8456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.0034 -1.5262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.2609 -1.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 0.4555 -1.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.0651 -0.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8235 -0.9813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -2.0955 -1.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8072 -1.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2773 -0.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2696 -1.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8548 -0.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3910 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0304 -0.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5460 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.0266 -0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5460 0.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3910 0.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0352 1.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4647 2.1963 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 /> 15 18 1 0 0 0 0<br /> 19 3 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 /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 25 28 1 0 0 0 0<br /> 19 23 1 0 0 0 0<br /> 22 29 1 0 0 0 0<br /> 28 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 33 34 2 0 0 0 0<br /> 33 35 1 0 0 0 0<br /> 31 36 2 0 0 0 0<br /> 1 37 1 0 0 0 0<br /> 37 38 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 37 38<br /> M SBL 2 1 40<br /> M SMT 2 OCH3<br /> M SVB 2 40 0.0352 1.3302<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 3 33 34 35<br /> M SBL 1 1 36<br /> M SMT 1 COOH<br /> M SVB 1 36 -3.546 0.0706<br /> S SKP 8<br /> ID FL3FCAGS0003<br /> KNApSAcK_ID C00004200<br /> NAME Apigenin 7-methyl ether 5-(6''-malonylglucoside)<br /> CAS_RN 130733-29-8<br /> FORMULA C25H24O13<br /> EXACTMASS 532.121690854<br /> AVERAGEMASS 532.45026<br /> SMILES O=C(CC(O)=O)OCC([C@H](O)4)O[C@H]([C@H]([C@@H](O)4)O)Oc(c12)cc(cc1OC(c(c3)ccc(c3)O)=CC2=O)OC<br /> M END<br /> &lt;/pre&gt;</div>

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