Mol:LBF20309HO02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.5287 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1162 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1162 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5776 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8640 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5776 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8640 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 0.3018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6747 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1020 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1503 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5633 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2770 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9906 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7042 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4179 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5441 0.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8142 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8142 1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5287 -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
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
7 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
10 20 1 1 0 0 0
13 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20309HO02
FORMULA C20H34O3
EXACTMASS 322.25079495399996
AVERAGEMASS 322.48216
SMILES C(CCCCC=CCC=CC=CC(CCCC(O)=O)O)CCC
M END
</pre>
