Mol:LBF24000HO01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 26 0 0 1 0 0 0 0 0999 V2000 -3.6713 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2313 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8188 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3338 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9213 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5637 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1787 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4537 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2513 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2413 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 0.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 -0.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 0.0688 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8087 -0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 0.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0838 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4962 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 0.8938 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 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 20 27 1 4 0 0 0 S SKP 5 ID LBF24000HO01 FORMULA C24H48O3 EXACTMASS 384.360345402 AVERAGEMASS 384.63612 SMILES C(CCCCC(O)CC(O)=O)CCCCCCCCCCCCCCCC M END
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