Mol:BMMCBZ2Pd013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 8 8 0 0 0 0 0 0 0 0999 V2000 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 0 0 0 6 5 1 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 S SKP 7 ID BMMCBZ2Pd013 NAME 4-Chloro-phenol FORMULA C6H5ClO EXACTMASS 128.0028 AVERAGEMASS 128.556 SMILES Oc(c1)ccc(Cl)c1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02124 M END
</pre>