Mol:LBF18207OX01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-2.1905 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 2.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8846 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4721 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6471 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2346 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3793 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7779 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1905 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1905 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 20 1 0 0 0 0
21 3 1 4 0 0 0
2 5 2 0 0 0 0
1 6 1 0 0 0 0
2 9 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
4 10 1 0 0 0 0
10 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
16 15 1 4 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
S SKP 5
ID LBF18207OX01
FORMULA C18H30O3
EXACTMASS 294.21949482599996
AVERAGEMASS 294.429
SMILES CCCCCC(=O)C=CC=CCCCCCCCC(O)=O
M END
</pre>
