Mol:BMAXS2AKt005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 13 13 0 0 0 0 0 0 0 0999 V2000 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 5 2 0 0 0 0 10 9 1 0 0 0 0 9 8 2 0 0 0 0 8 7 1 0 0 0 0 7 6 2 0 0 0 0 6 5 1 0 0 0 0 4 3 1 0 0 0 0 4 13 2 0 0 0 0 5 4 1 0 0 0 0 3 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 1 1 0 0 0 0 S SKP 7 ID BMAXS2AKt005 NAME N-Benzoyl-glycine FORMULA C9H9NO3 EXACTMASS 179.0582 AVERAGEMASS 179.1727 SMILES OC(=O)CNC(=O)c(c1)cccc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01586 M END
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