http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FCACS0032 2026-05-24T13:34:24Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FCACS0032&diff=185933&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 /> 1.2411 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5266 -0.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1878 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1878 -1.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5266 -2.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2411 -1.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9023 -0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6168 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6168 -1.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9023 -2.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5266 -2.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0425 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7569 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4714 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4714 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7569 0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0425 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1549 0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9023 -2.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3072 -0.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9441 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2131 2.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7501 1.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2876 0.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2380 0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7009 0.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1633 1.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6629 1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5610 2.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8293 2.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7501 2.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7251 0.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7279 1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1972 0.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4427 2.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4455 2.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1549 1.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1521 0.9039 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 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 2 0 0 0 0<br /> 3 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 4 1 0 0 0 0<br /> 5 11 2 0 0 0 0<br /> 1 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 /> 10 19 1 0 0 0 0<br /> 8 20 1 0 0 0 0<br /> 20 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 /> 27 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 22 30 1 0 0 0 0<br /> 23 31 1 0 0 0 0<br /> 7 25 1 0 0 0 0<br /> 32 33 2 0 0 0 0<br /> 33 35 1 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> 35 37 1 0 0 0 0<br /> 37 38 1 0 0 0 0<br /> 34 24 1 0 0 0 0<br /> 31 33 1 0 0 0 0<br /> S SKP 8<br /> ID FL3FCACS0032<br /> KNApSAcK_ID C00014095<br /> NAME Isoswertisin 3''-O-(2'''-methylbutyrate)<br /> CAS_RN 681152-40-9<br /> FORMULA C27H30O11<br /> EXACTMASS 530.1788118019999<br /> AVERAGEMASS 530.5205000000001<br /> SMILES O=C(c24)C=C(Oc2c(c(OC)cc4O)C(O3)C(C(OC(C(CC)C)=O)C(C(CO)3)O)O)c(c1)ccc(O)c1<br /> M END<br /> &lt;/pre&gt;</div>

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