Mol:LBF20306EO03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 1 0 0 0 0 0999 V2000
-3.5289 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2914 -0.7693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2914 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7039 -1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 4 0 0 0
2 3 1 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
3 6 1 4 0 0 0
6 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
7 11 2 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
10 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
2 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20306EO03
FORMULA C20H32O3
EXACTMASS 320.23514489
AVERAGEMASS 320.46628
SMILES C(CC=CCC(O1)C1CC=CCC=CCCCC(O)=O)CCC
M END
</pre>
