Mol:LBF14000SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 0 0 0 0 0 0999 V2000
3.9497 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6647 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9497 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3364 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6489 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3193 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6593 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 -0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6744 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0027 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3364 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0047 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6647 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
4 1 1 0 0 0 0
4 5 1 0 0 0 0
5 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
S SKP 5
ID LBF14000SC01
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCCCCCCCCC(O)=O
M END
</pre>
