Mol:BMMCPYURS607
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 1 0 0 0 0 0999 V2000 3.7321 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -4.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4124 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0002 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0112 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8192 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8301 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5211 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5701 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 22 26 1 1 0 0 0 3 9 1 6 0 0 0 3 2 1 0 0 0 0 4 10 2 0 0 0 0 2 1 1 0 0 0 0 5 6 1 6 0 0 0 1 11 1 0 0 0 0 11 5 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 17 16 2 0 0 0 0 14 15 1 0 0 0 0 15 19 2 0 0 0 0 16 15 1 0 0 0 0 20 12 1 0 0 0 0 1 7 1 4 0 0 0 7 33 1 0 0 0 0 5 4 1 0 0 0 0 33 32 1 0 0 0 0 21 20 1 0 0 0 0 32 29 1 0 0 0 0 20 27 1 6 0 0 0 29 28 1 0 0 0 0 23 27 1 6 0 0 0 29 31 1 0 0 0 0 23 22 1 0 0 0 0 33 35 1 0 0 0 0 22 21 1 0 0 0 0 33 34 2 0 0 0 0 2 8 1 1 0 0 0 29 30 2 0 0 0 0 21 25 1 1 0 0 0 28 24 1 0 0 0 0 23 24 1 0 0 0 0 S SKP 7 ID BMMCPYURS607 NAME UDP-4-oxo-6-deoxy-D-glucose FORMULA C15H22N2O16P2 EXACTMASS 548.0444 AVERAGEMASS 548.2865 SMILES O=C(C=3)NC(=O)N(C3)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@H](O)[C@@H](O)C(=O)[C@@H](C)2)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04089 M END