Mol:LBF18107HO03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-5.2971 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1234 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1719 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4928 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6333 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6333 0.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1234 0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5848 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9973 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8222 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2347 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0597 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4721 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2971 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1460 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5584 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5584 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7151 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3026 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4777 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1719 -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 1 4 0 0 0
2 7 1 4 0 0 0
5 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
14 13 1 4 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 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 LBF18107HO03
FORMULA C18H34O4
EXACTMASS 314.24570957599997
AVERAGEMASS 314.46016
SMILES CCCCCC(O)C=CCC(O)CCCCCCCC(O)=O
M END
</pre>
