Mol:LBF14000SC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 16 15 0 0 0 0 0 0 0 0999 V2000 3.9497 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6489 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3427 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3364 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 4 1 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 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 S SKP 5 ID LBF14000SC01 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCCCCCCCCCCC(O)=O M END
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