Mol:LBF20406HO06
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 25 0 0 1 0 0 0 0 0999 V2000 -3.3702 1.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 0.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 1.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2108 2.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 2.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 24 1 0 0 0 0 3 25 1 0 0 0 0 26 5 1 4 0 0 0 4 7 1 0 0 0 0 7 5 1 4 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 4 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 1 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 2 1 4 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 2 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 6 26 2 0 0 0 0 S SKP 5 ID LBF20406HO06 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CCC(OO)C=CC=CC=CC(OO)CC=CCCCC(O)=O)CC M END
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