Mol:LBF18206SC10
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.4540 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0260 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6310 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0260 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3540 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2815 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7865 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2310 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6985 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1935 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7435 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3485 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7610 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2010 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6410 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0810 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6310 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
1 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
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
15 14 2 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
19 20 1 0 0 0 0
S SKP 5
ID LBF18206SC10
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CC=CCCCCCCCCC(O)=O
M END
</pre>
