Mol:LBF18307HO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-3.5289 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1505 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5631 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.3575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6745 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 -1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2767 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2767 -0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9912 1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
9 8 1 0 0 0 0
3 10 1 0 0 0 0
10 11 2 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
12 18 1 6 0 0 0
9 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
S SKP 5
ID LBF18307HO01
FORMULA C18H30O3
EXACTMASS 294.21949482599996
AVERAGEMASS 294.429
SMILES CCCCCC(O)C=CC=CCC=CCCCCC(O)=O
M END
</pre>
