Mol:LBF20000HO03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000
4.5002 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0832 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7102 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2974 -0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7157 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9172 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3343 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7512 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1682 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0022 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4193 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1913 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9397 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1064 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2548 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9698 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5473 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1307 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7140 -0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2974 -0.1292 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
22 23 1 0 0 0 0
S SKP 5
ID LBF20000HO03
FORMULA C20H40O3
EXACTMASS 328.297745146
AVERAGEMASS 328.5298
SMILES C(CCCCCCCCCCCCCCCCC(O)=O)CCO
M END
</pre>
