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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 37 0 0 0 0 0 0 0 0999 V2000<br /> -2.1101 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1101 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5538 0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9975 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9975 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5538 1.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4412 0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1151 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1151 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4412 1.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6712 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6712 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2660 -1.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8608 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8608 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2660 0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4412 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6662 1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6663 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4550 -1.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5538 -0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2227 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2227 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2227 1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7082 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0900 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0900 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.7082 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.7082 -1.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6898 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4550 0.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3210 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8486 -1.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5631 -1.5879 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 /> 1 18 1 0 0 0 0<br /> 2 19 1 0 0 0 0<br /> 14 20 1 0 0 0 0<br /> 3 21 1 0 0 0 0<br /> 18 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 19 2 0 0 0 0<br /> 22 24 1 0 0 0 0<br /> 22 25 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 26 28 1 0 0 0 0<br /> 28 29 2 0 0 0 0<br /> 26 30 1 0 0 0 0<br /> 15 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 13 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 36<br /> M SMT 2 OCH3<br /> M SVB 2 36 0.8486 -1.1754<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 34<br /> M SMT 1 OCH3<br /> M SVB 1 34 2.455 0.3694<br /> S SKP 8<br /> ID FLIAAINP0002<br /> KNApSAcK_ID C00009894<br /> NAME Pumilaisoflavone A<br /> CAS_RN 115712-89-5<br /> FORMULA C27H28O7<br /> EXACTMASS 464.18350325<br /> AVERAGEMASS 464.50702<br /> SMILES O(c(c4OC(C)(C)C=C)cc(cc(OC)4)C(=C3)C(c(c2O3)c(c(c1c2)C=CC(C)(C)O1)O)=O)C<br /> M END<br /> &lt;/pre&gt;</div>

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