Mol:LBF18109HO04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-4.4569 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2250 1.7744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.2735 1.7744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2928 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8333 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2250 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2735 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0444 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4569 2.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4569 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8957 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8957 -0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8957 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8167 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4042 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5793 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1668 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8333 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 22 1 0 0 0 0
2 6 1 4 0 0 0
3 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
5 22 2 0 0 0 0
S SKP 5
ID LBF18109HO04
FORMULA C18H34O4
EXACTMASS 314.24570957599997
AVERAGEMASS 314.46016
SMILES CCCCCC(O)C(O)CC=CCCCCCCCC(O)=O
M END
</pre>
