Mol:LBF19000HO02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
4.2085 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7915 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4185 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0057 -0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6256 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0426 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4595 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8765 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2935 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1276 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4830 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2314 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3981 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9815 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5465 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2615 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8390 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4223 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0057 -0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 2 0 0 0 0
1 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
16 17 1 0 0 0 0
17 18 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
21 22 1 0 0 0 0
S SKP 5
ID LBF19000HO02
FORMULA C19H38O3
EXACTMASS 314.28209508199996
AVERAGEMASS 314.50322
SMILES OCCCCCCCCCCCCCCCCCCC(O)=O
M END
</pre>
