Mol:LBF17108SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 0 0 0 0 0 0999 V2000
3.9421 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5554 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2704 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5554 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3371 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7046 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0529 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3901 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7535 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1196 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4579 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2179 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8229 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4224 -0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0466 -0.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6447 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2704 -0.5988 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 1 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
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 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
S SKP 5
ID LBF17108SC01
FORMULA C17H32O2
EXACTMASS 268.240230268
AVERAGEMASS 268.43478
SMILES CCCCCCCC=CCCCCCCCC(O)=O
M END
