Mol:LBF18203HO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-0.6576 -0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0299 -0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4033 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8322 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5467 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2612 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9756 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6901 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4046 -0.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6901 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2901 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1426 -0.1440 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.8576 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5451 -0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1776 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0576 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6901 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4046 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1764 0.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 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
10 12 2 0 0 0 0
1 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 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 4 0 0 0
S SKP 5
ID LBF18203HO01
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES CCC=CCCC(O)CC=CCCCCCCCC(O)=O
M END
</pre>
