Mol:LBF20503HO09
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.5846 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0949 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6188 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6188 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8710 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4882 0.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 -0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 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
10 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
13 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
10 20 1 1 0 0 0
16 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20503HO09
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(CC=CCC=CCC=CC=CC(CCCC(O)=O)O)=CCC
M END
</pre>
