Mol:LBF18000BC05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-3.8066 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 1.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8078 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7253 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6796 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8066 2.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8066 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9652 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1787 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3818 0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
1 7 1 0 0 0 0
2 9 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
2 10 1 0 0 0 0
4 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
6 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 4 1 0 0 0 0
S SKP 5
ID LBF18000BC05
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES C(CC(CCCCCCCC(CCCCC(O)=O)C)C)CC
M END
</pre>
