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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 /> 29 31 0 0 0 0 0 0 0 0999 V2000<br /> -2.4197 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4197 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8634 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3070 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3070 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8634 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7507 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1944 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1944 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7507 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7507 -1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3617 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9286 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4956 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4956 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9286 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3617 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2998 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5853 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0624 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7769 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3616 -0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2276 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6716 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5377 -1.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0044 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4957 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7769 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2768 1.4559 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 /> 18 19 1 0 0 0 0<br /> 15 20 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 14 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 8 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 17 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 1 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> M STY 1 6 SUP<br /> M SLB 1 6 6<br /> M SAL 6 2 28 29<br /> M SBL 6 1 30<br /> M SMT 6 OCH3<br /> M SVB 6 30 -2.7769 0.5898<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 26 27<br /> M SBL 5 1 28<br /> M SMT 5 OCH3<br /> M SVB 5 28 0.0044 1.5655<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 24 25<br /> M SBL 4 1 26<br /> M SMT 4 OCH3<br /> M SVB 4 26 0.0044 -0.8776<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 22 23<br /> M SBL 3 1 24<br /> M SMT 3 OCH3<br /> M SVB 3 24 1.7052 0.0858<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 20 21<br /> M SBL 2 1 22<br /> M SMT 2 OCH3<br /> M SVB 2 22 2.0624 1.274<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 18 19<br /> M SBL 1 1 20<br /> M SMT 1 OCH3<br /> M SVB 1 20 -2.2998 -1.153<br /> S SKP 8<br /> ID FL5FALNS0017<br /> KNApSAcK_ID C00004758<br /> NAME 3,5,7,2',4',5'-Hexamethoxyflavone<br /> CAS_RN 21829-45-8<br /> FORMULA C21H22O8<br /> EXACTMASS 402.13146768<br /> AVERAGEMASS 402.39458<br /> SMILES COc(c1)c(C(O2)=C(C(c(c3OC)c2cc(c3)OC)=O)OC)cc(OC)c1OC<br /> M END<br /> &lt;/pre&gt;</div>

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