Mol:LBF09107SC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 11 10 0 0 0 0 0 0 0 0999 V2000 1.5895 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 0.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 -0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9177 -0.5892 0.0000 C 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 2 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 10 5 1 0 0 0 0 9 10 1 0 0 0 0 11 7 1 0 0 0 0 S SKP 5 ID LBF09107SC01 FORMULA C9H16O2 EXACTMASS 156.11502975599998 AVERAGEMASS 156.22214 SMILES CCCCCCC=CC(O)=O M END
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