Mol:LBF18116SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.5595 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1727 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8877 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1727 0.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1845 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5520 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9002 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6009 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0330 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6105 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2829 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9305 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6001 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2505 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9201 -0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5677 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2374 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8720 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8877 -0.0378 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
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 1 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
1 19 2 0 0 0 0
5 19 1 0 0 0 0
18 20 1 0 0 0 0
S SKP 5
ID LBF18116SC01
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCCCCCCCCCCCC=CC(O)=O
M END
</pre>
