Mol:BMCCPTFLt004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 1 0 0 0 0 0999 V2000 8.0413 -5.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -7.2097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -7.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -7.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 -7.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 -7.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 -5.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -5.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -7.2097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6394 -7.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -6.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -7.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -5.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -4.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -4.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9073 -3.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0413 -2.7097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0413 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 8.1744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 7.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 6.4802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 6.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 7.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 6.6087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1096 5.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 5.4063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 8.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 4.4928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9945 3.6267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6637 2.8836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5772 3.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4432 2.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -5.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -8.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -4.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -2.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -3.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 4.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.2903 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 0.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 2.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.2097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 -0.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 -0.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 1 11 2 0 0 0 0 12 4 1 0 0 0 0 11 12 1 0 0 0 0 11 10 1 0 0 0 0 10 14 1 0 0 0 0 13 5 1 0 0 0 0 12 5 1 4 0 0 0 14 13 2 0 0 0 0 14 9 1 0 0 0 0 9 8 2 0 0 0 0 8 7 1 0 0 0 0 7 6 2 0 0 0 0 6 13 1 0 0 0 0 2 37 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 4 38 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 20 21 1 0 0 0 0 18 39 1 6 0 0 0 19 40 1 1 0 0 0 20 41 1 6 0 0 0 21 42 1 0 0 0 0 42 51 1 0 0 0 0 51 52 1 0 0 0 0 51 50 1 0 0 0 0 51 53 2 0 0 0 0 50 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 47 46 1 0 0 0 0 46 36 1 0 0 0 0 35 45 1 6 0 0 0 35 34 1 0 0 0 0 32 45 1 6 0 0 0 34 33 1 0 0 0 0 32 33 1 0 0 0 0 33 43 1 1 0 0 0 34 44 1 1 0 0 0 35 36 1 0 0 0 0 22 27 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 25 2 0 0 0 0 25 30 1 0 0 0 0 30 29 1 0 0 0 0 29 28 2 0 0 0 0 28 26 1 0 0 0 0 27 31 1 0 0 0 0 32 30 1 0 0 0 0 17 10 1 0 0 0 0 S SKP 7 ID BMCCPTFLt004 NAME FADH2 FORMULA C27H35N9O15P2 EXACTMASS 787.1727 AVERAGEMASS 787.5659 SMILES c(c12)(ncn([C@H](O3)[C@@H]([C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]([C@@H](O)[C@@H](O)CN(c65)C(C4Nc5cc(C)c(C)c6)=NC(=O)NC4=O)O)3)O)O)2)c(ncn1)N KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01352 M END
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