Mol:LBF18207SC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.5777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1498 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7548 -0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1498 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0277 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4777 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9827 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9102 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4152 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1073 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8223 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2898 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8123 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2798 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7473 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2698 -0.6841 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
-4.2323 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7548 0.0034 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 2 0 0 0 0
15 14 1 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
19 20 1 0 0 0 0
S SKP 5
ID LBF18207SC03
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCCC=CC=CCCCCCCCC(O)=O
M END
