Mol:LBF12000HO02
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 1 0 0 0 0 0999 V2000 1.7389 -0.1210 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3218 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9489 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1761 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3421 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 0.7040 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 3 5 2 0 0 0 0 1 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 13 14 1 0 0 0 0 1 15 1 4 0 0 0 S SKP 5 ID LBF12000HO02 FORMULA C12H24O3 EXACTMASS 216.172544634 AVERAGEMASS 216.31716 SMILES CCCCCCCCCC(O)CC(O)=O M END
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