Mol:LBF182nnHP01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 1 0 0 0 0 0999 V2000 -4.7497 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 -0.0757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4750 0.1938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4916 1.0174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2753 1.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7545 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6136 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1003 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 1.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 4 0 0 0 3 6 1 4 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 4 9 1 4 0 0 0 10 7 1 4 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 5 18 1 0 0 0 0 2 19 1 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 S SKP 5 ID LBF182nnHP01 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1 M END
</pre>