Mol:LBF18206HP02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.4209 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3768 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5511 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4597 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 2.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 -1.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -2.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0085 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 2.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 0.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1443 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7317 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9067 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4942 -0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3768 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0959 -0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
4 3 1 4 0 0 0
4 22 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
5 8 1 4 0 0 0
8 9 1 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
13 12 1 4 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 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
5 22 2 0 0 0 0
S SKP 5
ID LBF18206HP02
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCC=CCC(OO)C=CCCCCCCC(O)=O
M END
</pre>
