Mol:BMMCPYURS611
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 39 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 2 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 5.4641 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.1375 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 5 11 1 6 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 2 8 1 1 0 0 0 3 9 1 6 0 0 0 4 10 1 6 0 0 0 1 7 1 4 0 0 0 6 13 1 0 0 0 0 6 12 2 0 0 0 0 5 6 1 0 0 0 0 25 29 1 6 0 0 0 25 24 1 0 0 0 0 22 29 1 6 0 0 0 24 23 1 0 0 0 0 22 23 1 0 0 0 0 22 14 1 0 0 0 0 23 27 1 1 0 0 0 24 28 1 1 0 0 0 16 17 1 0 0 0 0 16 15 1 0 0 0 0 15 14 1 0 0 0 0 14 19 1 0 0 0 0 19 18 2 0 0 0 0 18 17 1 0 0 0 0 17 21 2 0 0 0 0 15 20 2 0 0 0 0 25 26 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 31 34 1 0 0 0 0 35 34 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 35 7 1 0 0 0 0 35 37 1 0 0 0 0 35 36 2 0 0 0 0 S SKP 7 ID BMMCPYURS611 NAME UDP-D-galacturonic acid FORMULA C15H22N2O18P2 EXACTMASS 580.0342 AVERAGEMASS 580.2853 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@@H](O)[C@@H](C(O)=O)2)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00617 M END