Mol:BMMCIZ--S527
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 1 0 0 0 0 0999 V2000 5.4190 -0.2203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -1.7591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -0.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 0.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6978 1.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5068 2.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3158 1.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2669 1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -3.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7468 1.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5068 3.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0068 0.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 1.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9611 1.4887 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2701 0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9122 1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6521 2.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 4 3 1 0 0 0 0 9 8 1 0 0 0 0 8 17 1 1 0 0 0 11 17 1 1 0 0 0 11 10 1 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 8 1 1 0 0 0 0 10 16 1 6 0 0 0 9 15 1 6 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 7 14 1 0 0 0 0 7 13 2 0 0 0 0 S SKP 7 NAME 2- [1- [(2R,3R,4S,5R) -3,4-Dihydroxy-5- (phosphonooxymethyl) oxolan-2-yl] imidazol-4-yl] acetic acid CAS_RN 2888-19-9 ID BMMCIZ--S527 FORMULA C10H15N2O9P EXACTMASS 338.051516598 AVERAGEMASS 338.207941 SMILES OC(=O)Cc(n2)cn(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 SMILES OC(=O)Cc(n2)cn(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 M END