http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FFACS0002 2026-04-28T10:01:34Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FFACS0002&diff=186608&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 /> -0.7799 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7799 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2236 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3327 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3327 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2236 0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8890 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4453 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4453 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8890 0.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8890 -1.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2236 -1.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1252 0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7114 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2976 0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2976 1.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7114 1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1252 1.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8835 1.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3332 -0.7612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.8176 -1.3387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.3020 -1.0293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6007 -1.1118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.0957 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6526 -0.9262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.8835 -1.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4600 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9926 -1.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0545 1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4911 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1371 0.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6371 1.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8345 -0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7929 0.1226 0.0000 O 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 /> 3 12 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 17 1 0 0 0 0<br /> 17 18 2 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 9 13 1 0 0 0 0<br /> 16 19 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 /> 2 23 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 6 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 1 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 25 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 33 34<br /> M SBL 3 1 36<br /> M SMT 3 CH2OH<br /> M SVB 3 36 -2.8345 -0.163<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 OCH3<br /> M SVB 2 34 -1.1371 0.7444<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 29 30<br /> M SBL 1 1 32<br /> M SMT 1 OCH3<br /> M SVB 1 32 0.0545 1.0199<br /> S SKP 8<br /> ID FL3FFACS0002<br /> KNApSAcK_ID C00006149<br /> NAME Swertisin 8-methyl ether;Precatorin I;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one<br /> CAS_RN 120727-05-1<br /> FORMULA C23H24O11<br /> EXACTMASS 476.13186161<br /> AVERAGEMASS 476.43006<br /> SMILES C(O4)(=CC(c(c42)c(c([C@H](O3)[C@@H](O)[C@@H](O)[C@H](C3CO)O)c(c(OC)2)OC)O)=O)c(c1)ccc(c1)O<br /> M END<br /> &lt;/pre&gt;</div>

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