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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 /> 0.0136 -0.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0136 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4647 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9158 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9158 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4647 -0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3668 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8179 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8179 -0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3668 -0.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5385 -1.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2688 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7285 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1882 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1882 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7285 0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2688 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4647 -1.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.0542 0.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6479 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6852 -0.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0071 1.2238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.9009 0.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1135 0.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.4892 -0.0962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6797 0.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4727 0.7585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.6728 1.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6166 0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1022 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1342 1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9208 1.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9583 1.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3468 2.0053 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 /> 15 19 1 0 0 0 0<br /> 14 20 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 /> 25 21 1 0 0 0 0<br /> 21 1 1 0 0 0 0<br /> 27 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 16 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 -2.6221 1.2356<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 2.9583 1.0838<br /> S SKP 8<br /> ID FL3FAHGS0001<br /> KNApSAcK_ID C00004458<br /> NAME Tricetin 3'-methyl ether 7-glucoside<br /> CAS_RN 73413-70-4<br /> FORMULA C22H22O12<br /> EXACTMASS 478.111126168<br /> AVERAGEMASS 478.40288000000004<br /> SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(OC)c(c3O)O)=CC2=O)CO)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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