Mol:LBF20403SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
3.4677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0398 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6448 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0398 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9177 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0477 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6627 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2348 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0873 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9948 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4348 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8473 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2323 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6448 -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 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
20 19 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20403SC01
FORMULA C20H32O2
EXACTMASS 304.240230268
AVERAGEMASS 304.46688
SMILES C(CC=CCC=CCC=CCCCCCCC(O)=O)=CCC
M END
</pre>
