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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 /> -1.1576 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6367 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1158 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1158 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6367 0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1576 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4050 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9259 -0.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 0.9259 0.3366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 0.4050 0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4050 -1.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5056 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0343 0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5631 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5631 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0343 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5056 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3942 -0.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0918 1.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6367 -1.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4228 -1.4196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.0765 -1.8766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.5779 -1.6827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.0583 -1.6885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.4464 -1.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9557 -1.5107 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.0918 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6163 -1.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2923 -2.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0343 2.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1566 -0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1118 -0.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5032 0.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9789 1.8552 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 /> 3 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 9 12 1 6 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 /> 8 18 1 1 0 0 0<br /> 15 19 1 0 0 0 0<br /> 2 20 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 /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 20 1 0 0 0 0<br /> 16 30 1 0 0 0 0<br /> 26 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 6 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<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 CH2OH<br /> M SVB 2 34 -2.1566 -0.6249<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 33 34<br /> M SBL 1 1 36<br /> M SMT 1 OCH3<br /> M SVB 1 36 -1.5032 0.9756<br /> S SKP 8<br /> ID FL4DCCGS0002<br /> KNApSAcK_ID C00008720<br /> NAME Padmatin 5-glucoside<br /> CAS_RN 93078-94-5<br /> FORMULA C22H24O12<br /> EXACTMASS 480.126776232<br /> AVERAGEMASS 480.41876<br /> SMILES c(c23)c(OC)cc(c(C([C@H](O)[C@@H](c(c4)ccc(c4O)O)O3)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O<br /> M END<br /> &lt;/pre&gt;</div>

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