Mol:LBF09000OX05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 12 11 0 0 0 0 0 0 0 0999 V2000 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 12 2 0 0 0 0 S SKP 5 ID LBF09000OX05 FORMULA C9H16O3 EXACTMASS 172.109944378 AVERAGEMASS 172.22154 SMILES CCC(=O)CCCCCC(O)=O M END