Mol:LBF18000BC03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-3.0387 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7535 3.2138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7535 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6858 3.2138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.6858 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5596 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5596 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5596 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5596 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5596 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 -3.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6262 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0387 3.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0387 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1275 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3025 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
2 6 1 0 0 0 0
4 16 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
4 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
1 20 1 0 0 0 0
2 22 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF18000BC03
FORMULA C20H40O2
EXACTMASS 312.302830524
AVERAGEMASS 312.53040000000004
SMILES CC(CCCCCCCCCCCC(CCCC)C)C(O)=O
M END
</pre>
