Mol:LBF18206HP04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.4261 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3829 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5579 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8012 1.3989 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8012 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 2.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0140 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4261 2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4261 0.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2624 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2624 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2624 -1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6746 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1496 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7375 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9132 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5011 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3829 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 4 0 0 0
8 16 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
1 17 1 0 0 0 0
2 20 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
2 21 2 0 0 0 0
4 22 2 0 0 0 0
S SKP 5
ID LBF18206HP04
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC=CCC=CC(OO)CCCCCCC(O)=O
M END
</pre>
