Mol:LBF20109BC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
6 4 1 0 0 0 0
21 6 1 0 0 0 0
3 8 1 0 0 0 0
7 9 1 0 0 0 0
8 9 1 0 0 0 0
1 10 1 0 0 0 0
5 16 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
3 17 1 0 0 0 0
17 22 2 0 0 0 0
17 23 1 0 0 0 0
2 18 1 0 0 0 0
3 4 1 4 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
S SKP 5
ID LBF20109BC01
FORMULA C21H40O2
EXACTMASS 324.302830524
AVERAGEMASS 324.5411
SMILES C(CCCCC=CCCCCCCC(CCC)C(O)=O)CCC
M END
</pre>
