Mol:BMMCIZ--e016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 15 0 0 1 0 0 0 0 0999 V2000 3.8968 -0.9531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4901 -0.0396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0779 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.7622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -3.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -1.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -1.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 0.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 2.4920 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 3.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8467 3.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 8 1 1 0 0 0 0 1 9 1 6 0 0 0 1 2 1 0 0 0 0 2 10 1 1 0 0 0 2 3 1 0 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 S SKP 7 ID BMMCIZ--e016 NAME [(2R,3S) -2,3-Dihydroxy-3- (1H-imidazol-5-yl) propyl] dihydrogen phosphate CAS_RN 36244-87-8 FORMULA C6H11N2O6P EXACTMASS 238.0354 AVERAGEMASS 238.1351 SMILES O[C@@H](COP(O)(O)=O)[C@H](O)c(c1)ncn1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04666 M END