Mol:LBF16301SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
3.6424 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2006 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7231 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2006 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0374 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5899 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0124 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5376 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0876 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6926 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3526 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9026 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4801 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0301 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7231 -0.4970 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
1 5 1 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
S SKP 5
ID LBF16301SC01
FORMULA C16H26O2
EXACTMASS 250.19328007599998
AVERAGEMASS 250.37643999999997
SMILES C=CCC=CCC=CCCCCCCCC(O)=O
M END
