Mol:BMCCPUAPt012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 1 0 0 0 0 0999 V2000 3.9563 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -0.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0696 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2036 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2036 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0696 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6788 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2721 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2775 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8017 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6084 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8163 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9503 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2071 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2290 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7299 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6139 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5599 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5817 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 13 1 0 0 0 0 20 18 1 0 0 0 0 18 17 1 0 0 0 0 13 14 2 0 0 0 0 13 12 1 0 0 0 0 20 27 1 6 0 0 0 20 21 1 0 0 0 0 17 16 2 0 0 0 0 14 15 1 0 0 0 0 12 11 2 0 0 0 0 23 27 1 6 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 15 10 2 0 0 0 0 15 19 1 0 0 0 0 23 24 1 0 0 0 0 22 26 1 1 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 29 9 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 9 7 1 0 0 0 0 7 1 1 0 0 0 0 7 8 2 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 6 5 2 0 0 0 0 2 3 1 0 0 0 0 5 4 1 0 0 0 0 14 16 1 0 0 0 0 11 10 1 0 0 0 0 23 22 1 0 0 0 0 3 4 2 0 0 0 0 S SKP 7 ID BMCCPUAPt012 NAME 5'-Benzoyl-phospho-adenosine FORMULA C17H18N5O8P EXACTMASS 451.0892 AVERAGEMASS 451.3274 SMILES Nc(n4)c(n3)c(nc4)n(c3)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OC(=O)c(c2)cccc2)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06433 M END