Mol:BMCCPTFLe002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 55 0 0 1 0 0 0 0 0999 V2000 6.9478 -2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 -2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -1.2731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 -2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0706 -1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 -1.2704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.5467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 -2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -2.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2238 -1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 -3.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -1.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8145 0.0790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8212 0.9023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8212 1.7273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8212 2.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 0.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 1.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 2.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 2.9648 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 2.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 2.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 3.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 2.5476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0330 2.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 3.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2479 2.9373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9548 2.4909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6851 2.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3827 2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1129 2.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 1.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1454 3.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0932 2.3048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8035 1.8877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5209 2.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2324 1.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9498 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6612 1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9558 3.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7975 1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5102 0.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6612 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5178 -0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 2 14 1 0 0 0 0 7 3 2 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 13 6 2 0 0 0 0 6 7 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 14 2 0 0 0 0 12 15 2 0 0 0 0 10 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 4 0 0 0 18 22 1 4 0 0 0 19 23 1 4 0 0 0 20 24 1 0 0 0 0 25 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 36 40 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 42 48 1 6 0 0 0 2 51 1 0 0 0 0 29 52 1 1 0 0 0 36 41 1 0 0 0 0 5 53 1 0 0 0 0 53 17 1 0 0 0 0 33 37 1 6 0 0 0 S SKP 7 ID BMCCPTFLe002 NAME Coenzyme F420 FORMULA C29H36N5O18P EXACTMASS 773.1792 AVERAGEMASS 773.5928 SMILES P(O)(=O)(O[C@H](C(N[C@@H](CCC(N[C@H](C(O)=O)CCC(O)=O)=O)C(O)=O)=O)C)OCC(C(O)C(CN(C1=2)c(c3)c(ccc(O)3)C=C(C(NC(=O)N2)=O)1)O)O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00876 M END
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