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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 /> 62 66 0 0 1 0 0 0 0 0999 V2000<br /> 7.1714 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.0913 3.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 5.2340 2.2402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 5.7844 1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.5893 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.7844 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.2340 -1.8818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 6.0913 -2.7390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 7.1714 -2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.1522 -2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.1330 -2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.2132 -2.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 11.0704 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.5200 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.7151 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.5200 1.1600 0.0000 C 0 0 0 0 0 0 0 0 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0<br /> 2.2710 2.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.6089 5.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.9359 5.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.6589 -3.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.7489 -5.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 14.0335 2.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 13.7625 4.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.6589 4.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.7489 5.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 21 4 1 0 0 0 0<br /> 4 3 1 0 0 0 0<br /> 3 2 1 0 0 0 0<br /> 1 21 1 0 0 0 0<br /> 4 5 2 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 1 20 2 0 0 0 0<br /> 39 40 1 0 0 0 0<br /> 7 32 1 6 0 0 0<br /> 2 26 1 6 0 0 0<br /> 40 41 1 0 0 0 0<br /> 8 34 1 4 0 0 0<br /> 34 35 1 0 0 0 0<br /> 41 47 2 0 0 0 0<br /> 14 23 1 0 0 0 0<br /> 41 48 1 0 0 0 0<br /> 17 42 1 0 0 0 0<br /> 11 12 2 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> 12 13 1 0 0 0 0<br /> 36 49 1 0 0 0 0<br /> 13 14 2 0 0 0 0<br /> 36 50 2 0 0 0 0<br /> 23 11 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 18 19 2 0 0 0 0<br /> 33 51 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 33 52 2 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 24 16 1 0 0 0 0<br /> 30 53 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 30 54 2 0 0 0 0<br /> 17 18 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 19 24 1 0 0 0 0<br /> 27 55 1 0 0 0 0<br /> 16 15 1 0 0 0 0<br /> 27 56 2 0 0 0 0<br /> 15 14 1 0 0 0 0<br /> 12 37 1 0 0 0 0<br /> 37 38 1 0 0 0 0<br /> 11 10 1 0 0 0 0<br /> 38 57 1 0 0 0 0<br /> 10 9 2 0 0 0 0<br /> 38 58 2 0 0 0 0<br /> 6 22 2 0 0 0 0<br /> 7 31 1 1 0 0 0<br /> 20 19 1 0 0 0 0<br /> 3 28 1 4 0 0 0<br /> 9 8 1 0 0 0 0<br /> 8 7 1 0 0 0 0<br /> 18 45 1 0 0 0 0<br /> 7 6 1 0 0 0 0<br /> 22 9 1 0 0 0 0<br /> 2 1 1 0 0 0 0<br /> 13 39 1 0 0 0 0<br /> 2 25 1 1 0 0 0<br /> 45 46 1 0 0 0 0<br /> 42 43 1 0 0 0 0<br /> 43 44 1 0 0 0 0<br /> 44 59 1 0 0 0 0<br /> 44 60 2 0 0 0 0<br /> 46 61 1 0 0 0 0<br /> 46 62 2 0 0 0 0<br /> S SKP 7<br /> ID BMCCPPPC0001<br /> NAME Precorrin 2<br /> FORMULA C42H48N4O16<br /> EXACTMASS 864.3065<br /> AVERAGEMASS 864.8478<br /> SMILES c(c35)(CC(O)=O)c(c(n5)Cc(c4CCC(O)=O)nc(c4CC(O)=O)C=C(N1)[C@@]([C@@H](C(=CC([C@@](CC(O)=O)(C)2)=NC(=C3)[C@H]2CCC(O)=O)1)CCC(O)=O)(CC(O)=O)C)CCC(O)=O<br /> KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02463<br /> M END<br /> &lt;/pre&gt;</div>

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