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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 /> 34 36 0 0 0 0 0 0 0 0999 V2000<br /> -1.8071 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8071 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2508 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6945 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6945 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2508 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1382 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4181 -0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4181 0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1382 0.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9742 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9742 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5690 -1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1638 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1638 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5690 -0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1382 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3632 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3632 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2508 -1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7580 -1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3632 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9181 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9181 -1.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4730 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5690 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1620 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1620 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7538 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5702 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1516 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8661 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7585 -0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4730 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 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 /> 8 11 1 0 0 0 0<br /> 11 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 11 2 0 0 0 0<br /> 1 2 1 0 0 0 0<br /> 7 17 2 0 0 0 0<br /> 2 18 1 0 0 0 0<br /> 1 19 1 0 0 0 0<br /> 3 20 1 0 0 0 0<br /> 14 21 1 0 0 0 0<br /> 18 22 1 0 0 0 0<br /> 22 23 2 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 23 25 1 0 0 0 0<br /> 16 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 28 2 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 28 30 1 0 0 0 0<br /> 13 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 15 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 33<br /> M SMT 1 OCH3<br /> M SBV 1 33 -5.2110 5.0198<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 35<br /> M SMT 2 OCH3<br /> M SBV 2 35 -4.1988 5.5348<br /> S SKP 8<br /> ID FLIAAINI0001<br /> KNApSAcK_ID C00009924<br /> NAME Pumilaisoflavone C;5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone<br /> CAS_RN 122221-90-3<br /> FORMULA C27H30O7<br /> EXACTMASS 466.199153314<br /> AVERAGEMASS 466.52290000000005<br /> SMILES CC(C)=CCc(c(C(C(=O)2)=COc(c3)c(c(O)c(CC=C(C)C)c3O)2)1)c(OC)c(O)c(c1)OC<br /> M END<br /> &lt;/pre&gt;</div>

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