Mol:LBF18306SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.2752 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4523 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7252 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1752 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2127 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7177 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7398 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1523 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5923 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0598 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0773 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5998 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0398 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4523 -0.6291 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 2 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 2 0 0 0 0
12 13 1 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
20 19 1 0 0 0 0
S SKP 5
ID LBF18306SC01
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCCCCC=CCC=CCCCCC=CCC(O)=O
M END
</pre>
