Mol:LBF18306SC05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.2917 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8638 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4688 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8638 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7417 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1917 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6967 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2292 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7892 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3217 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1183 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6133 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1083 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1808 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5933 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0608 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4733 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8858 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4688 -0.4695 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 LBF18306SC05
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCCCCC=CC=CC=CCCCCCCC(O)=O
M END
