Mol:LBF20206SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
3.8404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4124 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0174 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4124 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2904 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7404 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2454 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2829 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7604 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2379 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2021 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2746 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1271 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8696 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2821 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7496 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1896 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6021 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0174 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 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 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 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
21 20 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20206SC01
FORMULA C20H36O2
EXACTMASS 308.271530396
AVERAGEMASS 308.49864
SMILES C(CC=CCC=CCCCCCCCCCC(O)=O)CCC
M END
</pre>
