http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FDGGS0003 2026-10-11T06:46:54Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FDGGS0003&diff=190199&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 /> 35 38 0 0 0 0 0 0 0 0999 V2000<br /> -3.7623 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7623 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2060 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6497 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6497 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2060 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0934 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5371 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5371 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0934 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0934 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9810 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4140 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1530 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1530 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4140 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9810 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2060 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9466 1.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.3732 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7198 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4140 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2795 0.1061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.9841 -0.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.5522 -0.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1236 -0.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 3.4191 0.1061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.8510 -0.0562 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 2.0854 0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8917 0.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.3610 0.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9788 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9574 -1.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6711 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1950 -1.8182 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 /> 3 18 1 0 0 0 0<br /> 19 15 1 0 0 0 0<br /> 1 20 1 0 0 0 0<br /> 14 21 1 0 0 0 0<br /> 16 22 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 1 1 0 0 0<br /> 25 26 1 1 0 0 0<br /> 27 26 1 1 0 0 0<br /> 27 28 1 0 0 0 0<br /> 28 23 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 28 30 1 0 0 0 0<br /> 27 31 1 0 0 0 0<br /> 21 24 1 0 0 0 0<br /> 26 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 8 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 32 33<br /> M SBL 2 1 35<br /> M SMT 2 CH2OH<br /> M SVB 2 35 3.6588 -0.3726<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 34 35<br /> M SBL 1 1 37<br /> M SMT 1 OCH3<br /> M SVB 1 37 -1.3382 -1.0246<br /> S SKP 8<br /> ID FL5FDGGS0003<br /> KNApSAcK_ID C00005752<br /> NAME Annulatin 3'-glucoside<br /> CAS_RN 31105-82-5<br /> FORMULA C22H22O13<br /> EXACTMASS 494.10604078999995<br /> AVERAGEMASS 494.40228<br /> SMILES O(C)C(C1=O)=C(c(c3)cc(O[C@@H](C(O)4)O[C@H](CO)[C@@H](C4O)O)c(O)c(O)3)Oc(c2)c1c(cc2O)O<br /> M END<br /> &lt;/pre&gt;</div>

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