Mol:LBF18112SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.3120 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9252 -0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6402 -0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9252 0.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2145 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3630 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0354 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3526 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0030 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6726 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3202 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9899 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6402 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7345 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1570 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5479 -0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9621 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3420 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 -0.0777 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
1 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
18 19 2 0 0 0 0
19 20 1 0 0 0 0
5 20 1 0 0 0 0
S SKP 5
ID LBF18112SC01
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCCCCCCCC=CCCCCC(O)=O
M END
</pre>
