http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL1C3CGS0019 2026-05-16T15:34:59Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL1C3CGS0019&diff=181758&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 36 0 0 0 0 0 0 0 0999 V2000<br /> -1.3290 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3290 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7750 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2210 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2210 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7750 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3327 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8852 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4366 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9867 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5251 -0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0635 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0635 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5251 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9867 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3327 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7750 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8827 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8139 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9291 0.5904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.5828 0.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -3.0842 0.3272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.5646 0.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.9527 0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4620 0.4992 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -4.3742 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9097 -0.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7985 -0.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9296 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.7956 -1.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4392 0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1869 1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6017 0.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.3162 0.3666 0.0000 C 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 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 1 1 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 11 2 0 0 0 0<br /> 11 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 10 1 0 0 0 0<br /> 7 16 2 0 0 0 0<br /> 3 17 1 0 0 0 0<br /> 1 18 1 0 0 0 0<br /> 19 2 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 /> 22 28 1 0 0 0 0<br /> 23 18 1 0 0 0 0<br /> 12 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 25 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 13 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 31 32<br /> M SBL 3 1 33<br /> M SMT 3 CH2OH<br /> M SVB 3 33 -3.5091 0.8977<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 35<br /> M SMT 2 OCH3<br /> M SVB 2 35 3.6017 0.7791<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 29 30<br /> M SBL 1 1 31<br /> M SMT 1 OCH3<br /> M SVB 1 31 3.2445 -0.3596<br /> S SKP 8<br /> ID FL1C3CGS0019<br /> KNApSAcK_ID C00007910<br /> NAME Okanin 3,4-dimethyl ehter 4'-glucoside<br /> CAS_RN 94285-17-3<br /> FORMULA C23H26O11<br /> EXACTMASS 478.147511674<br /> AVERAGEMASS 478.44594<br /> SMILES O(C)c(c1)c(ccc(C=CC(=O)c(c2)c(c(O)c(O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c2)O)1)OC<br /> M END<br /> &lt;/pre&gt;</div>

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