Mol:LBF18306HO02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 0 0 0 0 0 0999 V2000
-0.4379 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2634 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9086 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6230 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0520 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7664 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4809 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1954 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9099 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6243 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9099 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0704 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8679 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6188 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3254 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0129 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6179 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1954 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9099 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6243 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
1 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 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
19 20 1 0 0 0 0
20 21 1 0 0 0 0
S SKP 5
ID LBF18306HO02
FORMULA C18H30O3
EXACTMASS 294.21949482599996
AVERAGEMASS 294.429
SMILES OCCCCC=CC=CC=CCCCCCCCC(O)=O
M END
</pre>
