Mol:BMCCPUAPf041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 1 0 0 0 0 0999 V2000 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 -1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1981 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 4 2 0 0 0 0 4 9 1 0 0 0 0 9 8 1 0 0 0 0 8 7 2 0 0 0 0 7 5 1 0 0 0 0 6 10 1 0 0 0 0 12 11 1 0 0 0 0 11 18 1 6 0 0 0 14 18 1 6 0 0 0 14 13 1 0 0 0 0 13 12 1 0 0 0 0 14 15 1 0 0 0 0 11 9 1 0 0 0 0 13 17 1 1 0 0 0 12 16 1 1 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 S SKP 7 ID BMCCPUAPf041 NAME 9-(5-Phospho-1-ribofuranosyl)-6-mercapto-purine FORMULA C10H13N4O7PS EXACTMASS 364.0242 AVERAGEMASS 364.2727 SMILES O[C@@H]([C@@H](O)1)[C@@H](COP(O)(O)=O)O[C@H]1n(c3)c(n2)c(n3)c(S)nc2 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04646 M END