Mol:BMMCBZ2Pq052
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 11 11 0 0 1 0 0 0 0 0999 V2000 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 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 -0.0000 0.0000 C 0 0 3 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 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 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 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 4 5 1 0 0 0 0 4 3 1 4 0 0 0 3 2 1 0 0 0 0 2 1 2 0 0 0 0 1 7 1 0 0 0 0 7 11 1 0 0 0 0 4 8 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 S SKP 7 ID BMMCBZ2Pq052 NAME Perillyl alcohol FORMULA C10H16O EXACTMASS 152.1201 AVERAGEMASS 152.2334 SMILES OCC(C1)=CCC(C1)C(C)=C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02452 M END
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