Mol:LBF20109SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
2.9246 0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5379 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2529 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5379 1.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3196 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6431 0.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9914 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3149 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3396 0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0161 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3444 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6204 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2529 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2529 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6204 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0429 -0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3939 -1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 -0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1192 -1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4936 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 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
14 13 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 16 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 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20109SC01
FORMULA C20H38O2
EXACTMASS 310.28718046
AVERAGEMASS 310.51452
SMILES C(CCCCC=CCCCCCCCCCC(O)=O)CCC
M END
</pre>
