Mol:LBF13000BC07
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 1 0 0 0 0 0999 V2000 -3.7977 2.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 2.4341 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3967 2.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 3.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 2.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 1.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -2.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -3.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 2.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 3.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 4 0 0 0 1 5 1 0 0 0 0 2 13 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 3 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 S SKP 5 ID LBF13000BC07 FORMULA C16H32O2 EXACTMASS 256.240230268 AVERAGEMASS 256.42408 SMILES CCCCCCCCCCC(C)(CC)CC(O)=O M END
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