Mol:LBF20406HO03
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 23 0 0 1 0 0 0 0 0999 V2000 -3.3875 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7088 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9754 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 0.3496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8488 -0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 -0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1693 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7571 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5207 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3738 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 3 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 24 12 1 0 0 0 0 9 13 1 0 0 0 0 12 13 1 0 0 0 0 7 14 1 0 0 0 0 14 8 1 4 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 1 17 1 0 0 0 0 2 20 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 2 21 2 0 0 0 0 4 22 2 0 0 0 0 6 23 2 0 0 0 0 8 24 2 0 0 0 0 S SKP 5 ID LBF20406HO03 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CCC=CCC=CCC(OO)C=CCCC(O)=O)CCC M END
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