Mol:LBF14110SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 0 0 0 0 0 0999 V2000
3.2787 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8919 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6069 -0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8919 0.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6737 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0412 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0901 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5438 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2011 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8734 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5719 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2416 -0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9373 -0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6069 -0.6923 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 2 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
11 12 1 0 0 0 0
10 11 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
S SKP 5
ID LBF14110SC01
FORMULA C14H26O2
EXACTMASS 226.19328007599998
AVERAGEMASS 226.35504
SMILES CCCCCCCCCC=CCCC(O)=O
M END
