Mol:BMMCBZ2Mq011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 9 9 0 0 0 0 0 0 0 0999 V2000 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 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 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 5 2 0 0 0 0 5 4 1 0 0 0 0 4 3 2 0 0 0 0 3 2 1 0 0 0 0 2 1 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 7 9 1 0 0 0 0 3 8 1 0 0 0 0 S SKP 7 ID BMMCBZ2Mq011 NAME 3-Methyl-benzyl alcohol FORMULA C8H10O EXACTMASS 122.0731 AVERAGEMASS 122.1643 SMILES OCc(c1)cc(C)cc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07216 M END
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