Mol:LBF20503HO08
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-3.5846 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6321 0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6321 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -0.8353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6188 -0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6188 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4882 -1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8710 -0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 -0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4727 0.1808 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
4 6 1 0 0 0 0
3 7 1 0 0 0 0
6 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 2 0 0 0 0
9 11 1 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
11 17 1 6 0 0 0
13 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 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 LBF20503HO08
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(=CCC(C=CC=CCC=CCC=CCCCC(O)=O)O)CC
M END
</pre>
