Mol:LBF19000BC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
-4.5073 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0902 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6732 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9243 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1752 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4263 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1568 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7398 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6562 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2391 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9568 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9596 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6732 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0902 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 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
15 14 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
2 22 1 0 0 0 0
S SKP 5
ID LBF19000BC01
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES C(CCCCCCCCC(O)=O)CCCCCCCC(C)C
M END
</pre>
