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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 /> -1.4594 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9031 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3468 0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2093 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2093 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3628 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3628 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9029 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3468 -0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 -0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9391 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9391 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4905 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0418 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0418 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4905 -0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5633 0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.2170 0.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.7184 0.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1988 0.5240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.5869 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0963 0.7017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.9503 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5438 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4328 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3573 -0.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5932 -0.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9078 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.7738 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2957 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.2510 1.8740 0.0000 O 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 7 1 0 0 0 0<br /> 7 8 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 4 1 0 0 0 0<br /> 2 10 1 0 0 0 0<br /> 10 11 2 0 0 0 0<br /> 11 5 1 0 0 0 0<br /> 6 12 2 0 0 0 0<br /> 7 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 17 1 0 0 0 0<br /> 17 18 2 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 19 20 1 1 0 0 0<br /> 20 21 1 1 0 0 0<br /> 22 21 1 1 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 19 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 /> 22 1 1 0 0 0 0<br /> 11 28 1 0 0 0 0<br /> 17 29 1 0 0 0 0<br /> 16 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 24 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 32 33<br /> M SBL 2 1 35<br /> M SMT 2 CH2OH<br /> M SVB 2 35 -3.2957 1.5785<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 30 31<br /> M SBL 1 1 33<br /> M SMT 1 OCH3<br /> M SVB 1 33 3.2359 -1.166<br /> S SKP 8<br /> ID FLIAAEGS0001<br /> KNApSAcK_ID C00010122<br /> NAME Pratensein 7-O-glucoside<br /> CAS_RN 36191-03-4<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(=O)C(c(c3)ccc(c3O)OC)=CO2)O)CO)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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