Mol:LBF18303HP02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.9309 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6396 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4787 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1932 1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1932 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1932 -1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7807 -2.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4790 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4790 0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2355 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9309 2.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9309 1.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1153 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 1.7936 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 21 1 0 0 0 0
22 5 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
4 14 1 0 0 0 0
14 5 1 4 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
3 20 2 0 0 0 0
4 21 2 0 0 0 0
6 22 2 0 0 0 0
S SKP 5
ID LBF18303HP02
FORMULA C18H30O4
EXACTMASS 310.21440944799997
AVERAGEMASS 310.4284
SMILES CCC=CC=CC(OO)CC=CCCCCCCCC(O)=O
M END
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