Mol:LBF18207HO03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-3.4799 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3639 0.7139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8881 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0485 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3639 1.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9642 1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9642 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1744 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9379 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5258 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4799 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6556 -1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4192 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0071 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1828 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2294 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8881 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0485 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 20 1 0 0 0 0
3 21 1 0 0 0 0
2 5 1 4 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
2 12 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
6 13 1 0 0 0 0
4 19 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
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
S SKP 5
ID LBF18207HO03
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES CCCCCC(O)C=CC=CCCCCCCCC(O)=O
M END
</pre>
