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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 /> -1.9217 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9217 -2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3654 -2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8091 -2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8091 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3654 -1.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2528 -2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3035 -2.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3035 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2528 -1.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2528 -2.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8596 -1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4265 -1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9935 -1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9935 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4265 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8596 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4778 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3654 -2.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4778 0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4265 0.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2246 2.7158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -0.1148 2.0811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 0.5150 1.5401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 0.6935 0.9454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 0.8968 1.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3442 2.0791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.2246 3.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7009 2.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2361 1.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7339 2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4484 2.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1695 -2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0355 -3.0106 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 /> 1 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 20 15 1 0 0 0 0<br /> 16 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 /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 21 25 1 0 0 0 0<br /> 27 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 8 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 0.7339 2.6198<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 0.5023 -2.2168<br /> S SKP 8<br /> ID FL5FDCGS0007<br /> KNApSAcK_ID C00005495<br /> NAME Quercetin 3-methyl ether 3'-glucoside<br /> CAS_RN 115473-28-4<br /> FORMULA C22H22O12<br /> EXACTMASS 478.111126168<br /> AVERAGEMASS 478.40288000000004<br /> SMILES O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c1)c(O)ccc1C(=C(OC)2)Oc(c3)c(c(cc3O)O)C2=O<br /> M END<br /> &lt;/pre&gt;</div>

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