Mol:LBF18306SC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.1927 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7648 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3698 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7648 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6427 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1302 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6902 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2227 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2173 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7123 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2073 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7848 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2523 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6923 0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1048 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5448 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9573 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3698 0.1134 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
15 14 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
S SKP 5
ID LBF18306SC04
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCCCCC=CC=CC=CCCCCCCC(O)=O
M END
