Mol:LBF18000HO28
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
3.8167 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0267 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6138 -0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0321 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2337 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0676 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4846 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9017 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3187 0.2914 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2643 -0.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.8749 0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2066 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3733 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9796 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4471 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0305 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 -1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3187 1.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6138 0.1814 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
12 21 1 4 0 0 0
11 22 1 4 0 0 0
20 23 1 0 0 0 0
S SKP 5
ID LBF18000HO28
FORMULA C18H36O5
EXACTMASS 332.256274262
AVERAGEMASS 332.47544
SMILES OCCCCCCCCC(O)C(O)CCCCCCCC(O)=O
M END
</pre>
