Mol:LBF18107HO01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 24 0 0 1 0 0 0 0 0999 V2000 -4.2823 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1086 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5511 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4735 1.5675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1028 2.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4735 2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8698 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2823 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2823 0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 -0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 -1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 -2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 -2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5511 2.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 25 1 0 0 0 0 4 3 1 4 0 0 0 4 5 1 0 0 0 0 2 6 1 4 0 0 0 5 7 1 4 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 12 13 2 0 0 0 0 12 14 1 0 0 0 0 5 15 1 0 0 0 0 12 21 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 4 24 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 3 25 2 0 0 0 0 S SKP 5 ID LBF18107HO01 FORMULA C20H38O5 EXACTMASS 358.271924326 AVERAGEMASS 358.51272 SMILES C(CCC(O)C=CC(C(O)CCCCCCCC(O)=O)OCC)CC M END
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