Mol:LBF19206SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 0 0 0 0 0 0999 V2000
3.6355 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2075 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8125 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2075 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0855 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5355 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0405 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5730 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5555 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3795 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9845 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3970 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8095 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0745 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4870 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9545 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3945 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8125 0.0131 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 2 0 0 0 0
13 14 1 0 0 0 0
15 14 1 0 0 0 0
15 16 2 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
21 20 1 0 0 0 0
S SKP 5
ID LBF19206SC01
FORMULA C19H34O2
EXACTMASS 294.255880332
AVERAGEMASS 294.47206000000006
SMILES CCCCCC=CCC=CCCCCCCCCC(O)=O
M END
