Mol:LBF18107EO02
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 22 0 0 1 0 0 0 0 0999 V2000 -4.1658 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9863 2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5547 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 6 2 0 0 0 0 4 7 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 5 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 18 17 1 4 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 3 22 2 0 0 0 0 S SKP 5 ID LBF18107EO02 FORMULA C18H30O4 EXACTMASS 310.21440944799997 AVERAGEMASS 310.4284 SMILES C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)O1 M END
</pre>