Mol:LBF18207MO01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 22 0 0 1 0 0 0 0 0999 V2000 -4.7188 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4869 1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8411 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4287 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 -1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 5 4 1 4 0 0 0 2 6 1 4 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 5 14 1 0 0 0 0 11 19 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 S SKP 5 ID LBF18207MO01 FORMULA C19H34O4 EXACTMASS 326.24570957599997 AVERAGEMASS 326.47086 SMILES CCCCCC(O)C=CC=CC(OC)CCCCCCC(O)=O M END
</pre>