Mol:LBF18107OX01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-5.1516 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9779 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.0264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3182 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7788 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9779 0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9423 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3547 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3547 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4393 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6767 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3266 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1516 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5405 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1280 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3031 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
2 7 1 4 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 0 0 0 0
8 17 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
1 18 1 0 0 0 0
2 21 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
3 22 2 0 0 0 0
S SKP 5
ID LBF18107OX01
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC(O)C=CCC(=O)CCCCCCCC(O)=O
M END
</pre>
