Mol:BMMCBZ2Pf042
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 12 12 0 0 0 0 0 0 0 0999 V2000 3.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 3 2 0 0 0 0 4 9 1 0 0 0 0 3 4 1 0 0 0 0 9 10 2 0 0 0 0 4 5 2 0 0 0 0 9 12 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 9 11 1 0 0 0 0 S SKP 7 ID BMMCBZ2Pf042 NAME 4-Sulfo-benzaldehyde FORMULA C7H6O4S EXACTMASS 185.9986 AVERAGEMASS 186.1861 SMILES O=Cc(c1)ccc(c1)S(O)(=O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06679 M END
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