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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 /> 33 36 0 0 0 0 0 0 0 0999 V2000<br /> -1.3359 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3359 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8179 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2999 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2999 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8179 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2181 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7361 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7361 0.2381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 0.2181 0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2541 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7764 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2987 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2987 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7764 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2541 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8539 0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0209 -1.2086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.6497 -1.6986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1152 -1.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.5994 -1.4852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.9742 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4418 -1.3571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.6118 -1.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0000 -2.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8089 -2.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8203 -1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0371 2.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4572 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2987 1.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2987 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6372 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5932 -0.2135 0.0000 O 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 /> 4 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 5 1 0 0 0 0<br /> 9 11 1 6 0 0 0<br /> 11 12 2 0 0 0 0<br /> 12 13 1 0 0 0 0<br /> 13 14 2 0 0 0 0<br /> 14 15 1 0 0 0 0<br /> 15 16 2 0 0 0 0<br /> 16 11 1 0 0 0 0<br /> 1 17 1 0 0 0 0<br /> 18 19 1 1 0 0 0<br /> 19 20 1 1 0 0 0<br /> 21 20 1 1 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 18 1 0 0 0 0<br /> 18 24 1 0 0 0 0<br /> 19 25 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 27 3 1 0 0 0 0<br /> 15 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 14 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 23 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 32 33<br /> M SBL 3 1 35<br /> M SMT 3 CH2OH<br /> M SVB 3 35 -2.6372 -0.5068<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 30 31<br /> M SBL 2 1 33<br /> M SMT 2 OCH3<br /> M SVB 2 33 2.8202 1.4414<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 28 29<br /> M SBL 1 1 31<br /> M SMT 1 OCH3<br /> M SVB 1 31 2.0371 2.0049<br /> S SKP 8<br /> ID FL6FAFGS0001<br /> KNApSAcK_ID C00008768<br /> NAME Diffutin<br /> CAS_RN 89289-91-8<br /> FORMULA C23H28O10<br /> EXACTMASS 464.168247116<br /> AVERAGEMASS 464.46242000000007<br /> SMILES c(c4)(c(OC)cc(c4)[C@@H](O3)CCc(c31)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc(O)c1)OC<br /> M END<br /> &lt;/pre&gt;</div>

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