http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FFAGSS001 2026-05-15T22:38:25Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FFAGSS001&diff=186648&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 /> 37 40 0 0 0 0 0 0 0 0999 V2000<br /> -0.7127 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7127 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0018 -2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7162 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7162 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0018 -0.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4272 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1417 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1417 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4272 -2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4307 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1452 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8596 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8596 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1452 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4307 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5741 0.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4272 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0018 -3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8561 -0.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3937 2.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8062 1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2261 1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0105 0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5980 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1781 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4272 -0.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9771 3.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0197 2.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6386 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7656 2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9791 3.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2886 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4636 0.6125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.2886 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4636 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4636 -0.2125 0.0000 O 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 1 0 0 0 0<br /> 4 5 2 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 1 7 1 0 0 0 0<br /> 7 8 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 2 1 0 0 0 0<br /> 5 11 1 0 0 0 0<br /> 11 12 2 0 0 0 0<br /> 12 13 1 0 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 11 1 0 0 0 0<br /> 14 17 1 0 0 0 0<br /> 10 18 1 0 0 0 0<br /> 3 19 2 0 0 0 0<br /> 8 20 1 0 0 0 0<br /> 7 27 1 0 0 0 0<br /> 21 22 1 1 0 0 0<br /> 22 23 1 1 0 0 0<br /> 24 23 1 1 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 21 1 0 0 0 0<br /> 24 27 1 0 0 0 0<br /> 21 28 1 0 0 0 0<br /> 22 29 1 0 0 0 0<br /> 23 30 1 0 0 0 0<br /> 26 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 17 33 1 0 0 0 0<br /> 30 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> 34 36 2 0 0 0 0<br /> 34 37 2 0 0 0 0<br /> S SKP 8<br /> ID FL3FFAGSS001<br /> KNApSAcK_ID C00004253<br /> NAME Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)<br /> CAS_RN 136516-95-5<br /> FORMULA C22H22O14S<br /> EXACTMASS 542.073026102<br /> AVERAGEMASS 542.4676800000001<br /> SMILES Oc(c24)cc(c(c2OC(=CC4=O)c(c3)ccc(c3)OC)OC(C1OS(O)(=O)=O)OC(CO)C(O)C1O)O<br /> M END<br /> &lt;/pre&gt;</div>

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