Mol:LBF20406AM23
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 25 0 0 0 0 0 0 0 0999 V2000
-4.2419 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2419 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4169 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4169 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7033 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9897 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7033 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9897 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1647 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1647 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4510 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6544 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4510 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9762 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6898 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4034 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9762 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6898 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4039 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6906 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2255 0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2008 -0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 0.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
2 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
6 10 2 0 0 0 0
9 11 1 0 0 0 0
2 12 1 0 0 0 0
1 12 1 0 0 0 0
11 13 1 0 0 0 0
14 10 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
S SKP 5
ID LBF20406AM23
FORMULA C23H39NO2
EXACTMASS 361.298079497
AVERAGEMASS 361.5613
SMILES CN(CCO)C(=O)CCCC=CCC=CCC=CCC=CCCCCC
M END
</pre>
