Mol:LBF20106SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
1.9704 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2986 0.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 1.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0371 0.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6394 0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2939 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9704 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6221 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2986 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2986 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6221 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9346 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2677 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5046 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1279 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7329 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9759 -1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5987 -0.7776 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 1 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 2 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 5
ID LBF20106SC01
FORMULA C20H38O2
EXACTMASS 310.28718046
AVERAGEMASS 310.51452
SMILES C(CC=CCCCCCCCCCCCCC(O)=O)CCC
M END
