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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 /> 56 59 0 0 1 0 0 0 0 0999 V2000<br /> 3.9563 -3.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2872 -2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3090 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0000 -4.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6691 -4.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6473 -4.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.9344 -3.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.2435 -4.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.2916 -2.8049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 21.4255 -2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 21.4255 -1.3049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.2916 -0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.1576 -1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.1576 -2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.9007 -0.6358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.4940 0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.4995 0.1733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 24.0236 -2.8049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 21.8303 0.9164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 22.0382 1.8946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 21.1722 2.3946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 20.4291 1.7254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 19.4509 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.9518 2.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 21.0677 3.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 20.8358 0.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 18.7818 1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 21.8767 3.9769 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.4645 3.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 21.2889 4.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.6857 4.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 17.8037 1.3981 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0<br /> 17.5957 0.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 18.0116 2.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 16.8255 1.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 16.1564 0.8629 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0<br /> 16.8995 0.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 15.4132 1.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 15.4872 0.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 14.5091 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 13.8400 -0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 14.5831 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 13.0968 0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 13.1708 -1.1587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 12.1927 -0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 11.5236 -1.6939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.5454 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.8763 -2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.8981 -2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.2290 -2.7644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 7.2509 -2.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.5817 -3.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.6036 -3.0917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> 13.4799 -2.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 11.8837 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.5891 -1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9 14 2 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 11 2 0 0 0 0<br /> 11 12 1 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 13 12 2 0 0 0 0<br /> 17 16 1 0 0 0 0<br /> 16 15 2 0 0 0 0<br /> 15 13 1 0 0 0 0<br /> 12 17 1 0 0 0 0<br /> 14 18 1 0 0 0 0<br /> 22 26 1 1 0 0 0<br /> 21 22 1 0 0 0 0<br /> 19 26 1 6 0 0 0<br /> 21 20 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 27 1 0 0 0 0<br /> 19 17 1 0 0 0 0<br /> 27 32 1 0 0 0 0<br /> 32 34 1 0 0 0 0<br /> 32 33 2 0 0 0 0<br /> 32 35 1 0 0 0 0<br /> 39 36 1 0 0 0 0<br /> 36 37 2 0 0 0 0<br /> 36 38 1 0 0 0 0<br /> 39 40 1 0 0 0 0<br /> 36 35 1 0 0 0 0<br /> 40 41 1 0 0 0 0<br /> 41 44 1 0 0 0 0<br /> 41 42 1 0 0 0 0<br /> 41 43 1 0 0 0 0<br /> 44 45 1 0 0 0 0<br /> 44 54 1 6 0 0 0<br /> 45 55 2 0 0 0 0<br /> 45 46 1 0 0 0 0<br /> 46 47 1 0 0 0 0<br /> 47 48 1 0 0 0 0<br /> 48 49 1 0 0 0 0<br /> 49 50 1 0 0 0 0<br /> 49 56 2 0 0 0 0<br /> 50 51 1 0 0 0 0<br /> 51 52 1 0 0 0 0<br /> 52 53 1 0 0 0 0<br /> 20 24 1 6 0 0 0<br /> 21 25 1 1 0 0 0<br /> 31 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 28 30 2 0 0 0 0<br /> 25 28 1 0 0 0 0<br /> 6 5 2 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 7 8 2 0 0 0 0<br /> 1 7 1 0 0 0 0<br /> 7 53 1 0 0 0 0<br /> S SKP 7<br /> ID BMMCBZ1Sa017<br /> NAME Benzoyl-CoA<br /> FORMULA C28H40N7O17P3S<br /> EXACTMASS 871.1414<br /> AVERAGEMASS 871.6414<br /> SMILES C(C([C@@H](C(=O)NCCC(NCCSC(c(c4)cccc4)=O)=O)O)(C)C)OP(OP(OC[C@@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@H]1O)(O)=O)(O)=O<br /> KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00512<br /> M END<br /> &lt;/pre&gt;</div>

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