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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 /> 63 67 0 0 1 0 0 0 0 0999 V2000<br /> 6.8290 2.5467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 5.8509 3.2573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 4.8727 2.5467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 5.2464 1.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.9373 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.0419 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4373 -1.5959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 5.2464 -2.4944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 6.3509 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 7.3290 -2.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.3072 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.4117 -2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.2207 -1.5959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 9.6162 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.7207 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.4117 1.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 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2.5352 -0.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0000 -2.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0196 3.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5548 5.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 11.5487 4.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 12.9499 3.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.5392 4.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.6732 5.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.6644 5.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.0821 5.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> 12 13 1 0 0 0 0<br /> 37 52 1 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 37 53 2 0 0 0 0<br /> 22 11 2 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> 18 19 1 0 0 0 0<br /> 34 54 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 34 55 2 0 0 0 0<br /> 45 46 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 23 16 2 0 0 0 0<br /> 30 56 1 0 0 0 0<br /> 16 17 1 0 0 0 0<br /> 30 57 2 0 0 0 0<br /> 17 18 1 0 0 0 0<br /> 19 23 1 1 0 0 0<br /> 16 15 1 0 0 0 0<br /> 15 14 2 0 0 0 0<br /> 12 38 1 0 0 0 0<br /> 46 47 1 0 0 0 0<br /> 11 10 1 0 0 0 0<br /> 10 9 2 0 0 0 0<br /> 6 21 2 0 0 0 0<br /> 7 32 1 1 0 0 0<br /> 3 28 1 1 0 0 0<br /> 47 58 1 0 0 0 0<br /> 9 8 1 0 0 0 0<br /> 47 59 2 0 0 0 0<br /> 8 7 1 0 0 0 0<br /> 18 48 1 6 0 0 0<br /> 7 6 1 0 0 0 0<br /> 48 49 1 0 0 0 0<br /> 21 9 1 0 0 0 0<br /> 49 60 1 0 0 0 0<br /> 2 1 1 0 0 0 0<br /> 49 61 2 0 0 0 0<br /> 13 40 1 1 0 0 0<br /> 20 4 1 0 0 0 0<br /> 4 3 1 0 0 0 0<br /> 3 2 1 0 0 0 0<br /> 1 20 1 6 0 0 0<br /> 4 5 2 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 17 44 1 6 0 0 0<br /> 1 19 1 0 0 0 0<br /> 40 41 1 0 0 0 0<br /> 7 33 1 6 0 0 0<br /> 41 42 1 0 0 0 0<br /> 8 35 1 1 0 0 0<br /> 2 26 1 6 0 0 0<br /> 35 36 1 0 0 0 0<br /> 2 25 1 1 0 0 0<br /> 42 50 2 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 14 22 1 0 0 0 0<br /> 27 62 1 0 0 0 0<br /> 42 51 1 0 0 0 0<br /> 27 63 2 0 0 0 0<br /> 1 24 1 1 0 0 0<br /> 17 45 1 1 0 0 0<br /> 5 31 1 0 0 0 0<br /> 11 12 1 0 0 0 0<br /> 15 43 1 0 0 0 0<br /> 12 39 1 0 0 0 0<br /> S SKP 7<br /> ID BMCCPPBL0005<br /> NAME Hydrogenobyrinic acid<br /> FORMULA C45H60N4O14<br /> EXACTMASS 880.4106<br /> AVERAGEMASS 880.9764<br /> SMILES C([C@@]([C@@]25C)([C@H](CCC(O)=O)C(N5)=C(C(=N1)[C@](CC(O)=O)([C@@H](C1=CC(C4(C)C)=NC([C@@H](CCC(O)=O)4)=C(C(=N3)[C@@](C)(CCC(O)=O)[C@H]([C@H]23)CC(O)=O)C)CCC(O)=O)C)C)C)C(O)=O<br /> KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06399<br /> M END<br /> &lt;/pre&gt;</div>

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