Mol:LBF20406HP01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 23 0 0 1 0 0 0 0 0999 V2000 -3.4326 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 -2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4326 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8146 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4021 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 -0.5499 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 24 1 0 0 0 0 1 8 1 0 0 0 0 2 11 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 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 4 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 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 7 24 2 0 0 0 0 S SKP 5 ID LBF20406HP01 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)CCC M END
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