Mol:LBF22503SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
4.0040 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5760 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1810 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5760 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4540 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4090 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9690 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5290 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1715 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6490 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1210 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6060 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9635 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5960 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9535 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3660 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7235 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3560 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7685 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1810 0.0584 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 2 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 2 0 0 0 0
18 19 1 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 LBF22503SC01
FORMULA C22H34O2
EXACTMASS 330.255880332
AVERAGEMASS 330.50416000000007
SMILES C(CCC(O)=O)=CCCC=CCCC=CCC=CCCC=CCC
M END
</pre>
