Mol:PR100868
From Metabolomics.JP
ACD/Labs11130911112D 14 15 0 0 0 0 0 0 0 0 1 V2000 11.8239 -10.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8239 -11.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 -9.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 -12.0982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 -10.1032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 -11.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0888 -9.6922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8705 -10.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0889 -11.8442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3684 -9.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3684 -12.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6719 -13.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2005 -10.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 -8.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 1 2 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 4 12 1 0 0 0 0 8 13 2 0 0 0 0 3 14 2 0 0 0 0 S SKP 7 CAS_RN 944-73-0 NAME 1,3-Dimethylurate ID PR100868 FORMULA C7H8N4O3 EXACTMASS 196.059640142 AVERAGEMASS 196.16358 SMILES O=C(N1)NC(N(C)2)=C1C(=O)N(C)C(=O)2 M END