Mol:LBF18000BC08
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-2.2068 2.1432 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2068 1.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6103 2.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3106 2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8981 2.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8981 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6103 -2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7854 -2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3729 -2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5480 -2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1355 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3105 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8980 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0731 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3394 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1643 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4018 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8143 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6392 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0517 2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
3 21 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
S SKP 5
ID LBF18000BC08
FORMULA C19H38O2
EXACTMASS 298.28718046
AVERAGEMASS 298.50382
SMILES CCCCCCCCCCCCCCCCC(C)C(O)=O
M END
</pre>
