Mol:BMMCPYTYS604
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 1 0 0 0 0 0999 V2000 3.7321 -3.7420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -4.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -5.2420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 4.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4124 4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0002 4.8104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0112 5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8192 3.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 6.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1922 6.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.2969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8301 3.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 2.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.7580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5701 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 0 21 27 1 6 0 0 0 24 27 1 6 0 0 0 24 23 1 0 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 21 12 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 33 34 2 0 0 0 0 23 26 1 1 0 0 0 14 15 1 0 0 0 0 14 13 1 0 0 0 0 13 12 1 0 0 0 0 12 17 1 0 0 0 0 17 16 2 0 0 0 0 16 15 1 0 0 0 0 13 18 2 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 33 7 1 0 0 0 0 5 11 1 0 0 0 0 1 11 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 1 7 1 4 0 0 0 2 8 1 1 0 0 0 3 9 1 6 0 0 0 4 10 2 0 0 0 0 S SKP 7 ID BMMCPYTYS604 NAME dTDP-4-oxo-6-deoxy-D-glucose FORMULA C16H24N2O15P2 EXACTMASS 546.0651 AVERAGEMASS 546.3137 SMILES O=C(N3)C(C)=CN(C(=O)3)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@H](O)[C@@H](O)C(=O)[C@@H](C)2)[C@@H](O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00687 M END