Mol:LBF16114BC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
0.6464 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1505 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6464 1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8679 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8679 1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2367 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9512 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9512 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5386 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9512 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9512 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4991 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7366 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2324 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5925 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0051 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2805 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1054 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5180 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2856 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7366 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 4 0 0 0
4 5 1 4 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
2 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
1 12 1 0 0 0 0
2 14 2 0 0 0 0
13 14 1 0 0 0 0
1 15 1 0 0 0 0
4 17 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
4 18 1 0 0 0 0
6 20 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
12 21 1 0 0 0 0
13 21 1 0 0 0 0
14 22 1 0 0 0 0
S SKP 5
ID LBF16114BC01
FORMULA C20H38O2
EXACTMASS 310.28718046
AVERAGEMASS 310.51452
SMILES CC(CCCC(CCCC(CCCC(C)C)C)C)=CC(O)=O
M END
</pre>
