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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 /> 32 34 0 0 0 0 0 0 0 0999 V2000<br /> -0.8045 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4444 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7159 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3475 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7075 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4360 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6189 -2.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2505 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6105 -3.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3390 -2.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1178 -2.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2423 -3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5189 -4.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1435 -4.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5088 -4.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7855 -4.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4099 -3.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3556 -1.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5332 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2037 -1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4751 -0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1147 -0.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1067 -0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3781 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0098 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0178 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4155 -0.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7642 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6731 -4.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0958 -5.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8842 -5.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5356 -6.1389 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 /> 1 19 1 0 0 0 0<br /> 6 20 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 21 22 2 0 0 0 0<br /> 21 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 24 26 1 0 0 0 0<br /> 2 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 8 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 15 31 1 0 0 0 0<br /> 31 32 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 OCH3<br /> M SVB 3 33 2.7178 1.1426<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 29 30<br /> M SBL 2 1 31<br /> M SMT 2 OCH3<br /> M SVB 2 31 0.6598 -1.009<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 27 28<br /> M SBL 1 1 29<br /> M SMT 1 OCH3<br /> M SVB 1 29 -2.4787 -0.7113<br /> S SKP 8<br /> ID FL5FGANI0002<br /> KNApSAcK_ID C00004934<br /> NAME 5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate<br /> CAS_RN 142609-03-8<br /> FORMULA C23H24O9<br /> EXACTMASS 444.14203236599997<br /> AVERAGEMASS 444.43126<br /> SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c1OC(CC(C)C)=O)O)OC<br /> M END<br /> &lt;/pre&gt;</div>

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