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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 /> 35 38 0 0 0 0 0 0 0 0999 V2000<br /> -0.3675 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3675 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1888 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7451 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7451 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1888 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3014 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8577 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8577 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3014 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3014 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4138 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9807 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5477 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5477 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9807 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4138 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9236 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2518 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1888 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9807 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6372 -0.3945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.2103 -0.9580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.5955 -0.7189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.0022 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.4333 -0.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0613 -0.5069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -4.1144 -0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8758 -0.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2432 -1.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1145 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0553 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1984 -1.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3489 0.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7158 1.0275 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 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 /> 1 18 1 0 0 0 0<br /> 8 19 1 0 0 0 0<br /> 3 20 1 0 0 0 0<br /> 16 21 1 0 0 0 0<br /> 22 23 1 1 0 0 0<br /> 23 24 1 1 0 0 0<br /> 25 24 1 1 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 25 18 1 0 0 0 0<br /> 15 31 1 0 0 0 0<br /> 2 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 27 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 34 35<br /> M SBL 2 1 37<br /> M SMT 2 CH2OH<br /> M SVB 2 37 -3.3489 0.2534<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 -1.082 -0.7269<br /> S SKP 8<br /> ID FL5FECGS0010<br /> KNApSAcK_ID C00005644<br /> NAME Patuletin 7-glucoside<br /> CAS_RN 19833-25-1<br /> FORMULA C22H22O13<br /> EXACTMASS 494.10604078999995<br /> AVERAGEMASS 494.40228<br /> SMILES COc(c1O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C2=O)c(OC(c(c3)ccc(c3O)O)=C2O)c1)O<br /> M END<br /> &lt;/pre&gt;</div>

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