Mol:LBF18000HO18
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
3.5250 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.1080 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.7350 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3221 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7405 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9420 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3590 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7759 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6100 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5560 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1666 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4983 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0817 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6650 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2713 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7388 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3221 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0929 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5250 1.1164 0.0000 O 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
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 4 0 0 0
1 22 1 4 0 0 0
S SKP 5
ID LBF18000HO18
FORMULA C18H36O4
EXACTMASS 316.26135963999997
AVERAGEMASS 316.47604
SMILES CCCCCCCCCCCCCCCC(O)C(O)C(O)=O
M END
</pre>
