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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 /> 31 34 0 0 0 0 0 0 0 0999 V2000<br /> -2.0995 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0995 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5432 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9869 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9869 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5432 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4306 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1257 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1257 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4306 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4306 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6818 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2488 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8158 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8158 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2488 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6818 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7104 -0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0880 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7104 -1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2488 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9917 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8577 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9796 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2652 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2652 0.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8287 1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6112 -0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7987 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3735 1.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0880 0.5969 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 /> 1 18 1 0 0 0 0<br /> 18 19 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 20 2 1 0 0 0 0<br /> 16 21 1 0 0 0 0<br /> 8 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 3 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 6 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 14 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 15 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 30 31<br /> M SBL 5 1 33<br /> M SMT 5 OCH3<br /> M SVB 5 33 2.3735 1.0094<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 28 29<br /> M SBL 4 1 31<br /> M SMT 4 OCH3<br /> M SVB 4 31 2.4072 -0.5031<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 26 27<br /> M SBL 3 1 29<br /> M SMT 3 OCH3<br /> M SVB 3 29 -1.2652 0.6837<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 24 25<br /> M SBL 2 1 27<br /> M SMT 2 OCH3<br /> M SVB 2 27 -1.9796 -1.3346<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 22 23<br /> M SBL 1 1 25<br /> M SMT 1 OCH3<br /> M SVB 1 25 0.336 -1.0379<br /> S SKP 8<br /> ID FL5FGGNS0016<br /> KNApSAcK_ID C00005070<br /> NAME 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone<br /> CAS_RN 82668-94-8<br /> FORMULA C21H20O10<br /> EXACTMASS 432.10564686<br /> AVERAGEMASS 432.37749999999994<br /> SMILES COc(c(O)1)c(cc(C(O2)=C(C(c(c(OC)3)c2c(OC)c(O4)c3OC4)=O)OC)c1)OC<br /> M END<br /> &lt;/pre&gt;</div>

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