Mol:LBF18106EO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 1 0 0 0 0 0999 V2000
-4.2676 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5024 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5366 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4590 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9497 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6856 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2732 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4482 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0357 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 -2.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8551 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2676 2.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2676 1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 4 0 0 0
5 6 1 4 0 0 0
1 7 1 0 0 0 0
2 10 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
5 11 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
17 16 1 4 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
2 21 2 0 0 0 0
S SKP 5
ID LBF18106EO01
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1
M END
</pre>
