Mol:LBF22403SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
3.8802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0573 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3302 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7802 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9927 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5527 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2723 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2073 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5648 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9498 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8298 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1873 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6273 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2323 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6448 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0573 -0.6566 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 2 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 2 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 2 0 0 0 0
20 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 5
ID LBF22403SC01
FORMULA C22H36O2
EXACTMASS 332.271530396
AVERAGEMASS 332.52004000000005
SMILES C(CCC(O)=O)CCCC=CCCC=CCCC=CCC=CCC
M END
</pre>
