Mol:LBF18303HP03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.9451 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6539 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3039 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9984 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 -1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 -1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 -2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 1.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9451 2.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9451 1.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7848 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7848 0.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0703 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1296 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1727 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9984 1.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 20 1 0 0 0 0
3 4 1 0 0 0 0
22 21 1 4 0 0 0
6 7 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
10 11 1 0 0 0 0
11 12 1 0 0 0 0
13 12 1 4 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
4 17 1 0 0 0 0
17 5 1 4 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 2 0 0 0 0
5 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18303HP03
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC=CCC(OO)C=CC=CCCCCCCCC(O)=O
M END
</pre>
