Mol:LBF18114SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
4.6468 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2601 -0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9751 -0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2601 0.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4826 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8198 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1832 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5493 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0282 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7006 -0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0178 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6682 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3378 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9854 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6551 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3054 -0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8988 -0.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9751 -0.5452 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 2 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 1 0 0 0 0
5 19 1 0 0 0 0
20 18 1 0 0 0 0
S SKP 5
ID LBF18114SC01
FORMULA C18H34O2
EXACTMASS 282.255880332
AVERAGEMASS 282.46136
SMILES CCCCCCCCCCCCCC=CCCC(O)=O
M END
</pre>
