Mol:LBF18109EO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 1 0 0 0 0 0999 V2000
-5.2098 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0361 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1428 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1912 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1233 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6229 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5987 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1862 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3613 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9488 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0005 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4975 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9100 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7349 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1474 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9724 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3848 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2098 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1233 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 21 1 0 0 0 0
2 6 1 4 0 0 0
3 6 1 4 0 0 0
1 7 1 0 0 0 0
2 10 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
11 12 2 0 0 0 0
11 13 1 0 0 0 0
5 14 1 0 0 0 0
11 20 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
19 20 1 0 0 0 0
5 21 2 0 0 0 0
S SKP 5
ID LBF18109EO01
FORMULA C18H32O3
EXACTMASS 296.23514489
AVERAGEMASS 296.44488
SMILES C(C(CC=CCCCCCCCC(O)=O)1)(CCCCC)O1
M END
</pre>
