Mol:LBF18307HP01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-3.5289 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 0.1097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6745 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1505 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5631 1.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0420 -1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2767 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2767 0.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9912 1.5397 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
3 6 1 0 0 0 0
6 7 2 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
7 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 12 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
9 16 1 0 0 0 0
16 17 1 0 0 0 0
10 18 1 6 0 0 0
18 19 1 0 0 0 0
17 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
S SKP 5
ID LBF18307HP01
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCCCCC(OO)C=CC=CCC=CCCCCC(O)=O
M END
</pre>
