Mol:LBF15101SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 0 0 0 0 0 0999 V2000
3.5145 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1277 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1277 0.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9095 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2770 -0.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6252 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9625 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3259 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8855 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5579 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8751 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5255 -0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1951 -0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8427 -0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 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
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 2 0 0 0 0
S SKP 5
ID LBF15101SC01
FORMULA C15H28O2
EXACTMASS 240.20893013999998
AVERAGEMASS 240.38162
SMILES C=CCCCCCCCCCCCCC(O)=O
M END
