Mol:LBF20406AM05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000
-3.5930 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5930 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0544 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3408 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0544 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3408 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5158 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5158 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0055 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9115 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9115 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6251 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3387 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0523 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6251 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3387 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0528 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0055 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3395 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
21 22 1 0 0 0 0
20 23 2 0 0 0 0
S SKP 5
ID LBF20406AM05
FORMULA C21H35NO
EXACTMASS 317.271864747
AVERAGEMASS 317.50873999999993
SMILES C(CC=CCC=CCC=CCC=CCCCC(NC)=O)CCC
M END
</pre>
