Mol:LBF18203HP04
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 25 0 0 1 0 0 0 0 0999 V2000 -5.5217 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9974 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -1.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0551 -1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 -2.2548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -0.8445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -0.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5773 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7901 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0919 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0447 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 2.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 2.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3292 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 4 0 0 0 6 7 1 0 0 0 0 8 7 1 4 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 4 10 1 0 0 0 0 8 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 11 18 1 4 0 0 0 12 24 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 23 24 1 0 0 0 0 2 25 2 0 0 0 0 S SKP 5 ID LBF18203HP04 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CCC=CCC(C=1)OOC(C1)C(OO)CCCCCCCC(=O)OC M END
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