Mol:LBF20406HO05
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 25 0 0 1 0 0 0 0 0999 V2000 -3.3890 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7731 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4341 -0.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 -0.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7891 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 -0.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6924 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 3 1 0 0 0 0 24 25 1 0 0 0 0 5 26 1 0 0 0 0 1 7 1 0 0 0 0 2 10 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 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 3 14 1 0 0 0 0 14 4 1 4 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 11 20 1 0 0 0 0 17 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 2 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 S SKP 5 ID LBF20406HO05 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CC=CCC(OO)C=CC=CC=CC(OO)CCCC(O)=O)CCC M END
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