Mol:LBF20406AM06
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
-3.1167 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1167 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2917 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2917 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5781 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8644 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5781 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8644 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0394 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0394 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6743 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5292 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3879 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6743 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3879 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1015 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5287 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1015 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5292 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 1.1261 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
S SKP 5
ID LBF20406AM06
FORMULA C20H33NO
EXACTMASS 303.256214683
AVERAGEMASS 303.48215999999996
SMILES C(CC=CCC=CCC=CCC=CCCCC(N)=O)CCC
M END
</pre>
