Mol:LBF18108OX01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
-5.0643 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8906 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.9391 -0.3572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4193 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8841 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2965 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2965 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3520 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7645 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0019 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8269 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2393 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0643 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4532 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0407 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8033 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9875 -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 22 1 0 0 0 0
4 5 1 0 0 0 0
2 6 1 4 0 0 0
3 6 1 4 0 0 0
5 7 2 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
5 11 1 0 0 0 0
8 17 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
15 16 1 0 0 0 0
16 17 1 0 0 0 0
1 18 1 0 0 0 0
2 21 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
4 22 2 0 0 0 0
S SKP 5
ID LBF18108OX01
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES C(C(C=CC(=O)CCCCCCCC(O)=O)1)(CCCCC)O1
M END
</pre>
