Mol:BMAXDP--0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 11 10 0 0 1 0 0 0 0 0999 V2000 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 0 6 5 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 1 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 1 9 2 0 0 0 0 2 3 1 6 0 0 0 5 4 1 0 0 0 0 1 10 1 0 0 0 0 S SKP 7 ID BMAXDP--0005 NAME D-Alanyl-D-alanine FORMULA C6H12N2O3 EXACTMASS 160.0847 AVERAGEMASS 160.1711 SMILES C[C@@H](N)C(=O)N[C@H](C)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00993 M END
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