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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 35 0 0 0 0 0 0 0 0999 V2000<br /> -1.3359 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3359 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8179 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2999 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2999 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8179 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2181 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7361 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7361 0.5196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 0.2181 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2541 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7764 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2987 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2987 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7764 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2541 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0209 -0.9271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.6497 -1.4171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1152 -1.2092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.5994 -1.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.9742 -0.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4418 -1.0756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.6118 -0.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0001 -1.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8089 -1.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8203 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4750 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2227 -0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6931 1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1930 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8202 1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5347 1.3104 0.0000 C 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 /> 17 18 1 1 0 0 0<br /> 18 19 1 1 0 0 0<br /> 20 19 1 1 0 0 0<br /> 20 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 17 1 0 0 0 0<br /> 17 23 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 /> 26 3 1 0 0 0 0<br /> 22 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 1 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 14 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 27 28<br /> M SBL 3 1 30<br /> M SMT 3 CH2OH<br /> M SVB 3 30 -2.5458 -0.6771<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 OCH3<br /> M SVB 2 34 2.8202 1.7229<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 29 30<br /> M SBL 1 1 32<br /> M SMT 1 OCH3<br /> M SVB 1 32 -1.6931 1.1384<br /> S SKP 8<br /> ID FL6FCBGS0001<br /> KNApSAcK_ID C00008772<br /> NAME Dichotosin<br /> CAS_RN 97399-72-9<br /> FORMULA C23H28O9<br /> EXACTMASS 448.17333249399996<br /> AVERAGEMASS 448.46302000000003<br /> SMILES O(C)c(c2)cc(c(C3)c(O[C@H](c(c4)ccc(c4)OC)C3)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O<br /> M END<br /> &lt;/pre&gt;</div>

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