Mol:LBF18106SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.3526 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9658 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9658 0.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7476 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1151 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4633 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8006 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1639 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5301 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0474 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3674 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0371 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6888 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2924 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8699 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4777 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0731 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6808 -0.0626 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
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 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 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
17 16 1 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
S SKP 5
ID LBF18106SC01
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCC=CCCCCCCCCCCC(O)=O
M END
</pre>
