Mol:LBF08102BC02
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 12 11 0 0 1 0 0 0 0 0999 V2000 0.2217 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2217 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5634 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 0.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 -0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1338 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0497 -0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 4 0 0 0 4 11 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 3 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 3 11 2 0 0 0 0 11 12 1 0 0 0 0 S SKP 5 ID LBF08102BC02 FORMULA C10H18O2 EXACTMASS 170.13067981999998 AVERAGEMASS 170.24872 SMILES CC(C)=CCCCC(C)C(O)=O M END
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