Mol:LBF20118BC02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-2.1626 4.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6992 4.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 4.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 3.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 3.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 2.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 -0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -1.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 -1.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -2.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 -3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -3.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 -4.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -5.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1508 2.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9635 4.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3761 5.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3760 3.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3761 3.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
2 18 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 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
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
17 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
2 22 1 0 0 0 0
1 23 1 0 0 0 0
S SKP 5
ID LBF20118BC02
FORMULA C21H40O2
EXACTMASS 324.302830524
AVERAGEMASS 324.5411
SMILES C(CCCCCCCCCCCCCC=C(C)C(O)=O)CCC
M END
</pre>
