Mol:LBF12000BC09
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 1 0 0 0 0 0999 V2000 -0.4235 0.2181 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4235 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 0.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 4 0 0 0 1 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 1 12 1 0 0 0 0 9 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 S SKP 5 ID LBF12000BC09 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CCCCCCC(C)CCCCC(O)=O M END
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