Mol:LBF20406HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 1 0 0 0 0 0999 V2000
-3.4326 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7779 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5886 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2021 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7670 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4613 -2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0557 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1270 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5364 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4326 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2497 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4021 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4954 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3062 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1170 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5852 -0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 3 1 0 0 0 0
3 22 1 0 0 0 0
4 5 1 0 0 0 0
5 23 1 0 0 0 0
6 24 1 0 0 0 0
1 8 1 0 0 0 0
2 11 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
7 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
12 15 1 0 0 0 0
15 16 1 0 0 0 0
17 16 1 4 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
2 21 2 0 0 0 0
4 22 2 0 0 0 0
6 23 2 0 0 0 0
7 24 2 0 0 0 0
S SKP 5
ID LBF20406HP01
FORMULA C20H32O4
EXACTMASS 336.23005951199997
AVERAGEMASS 336.46567999999996
SMILES C(CC=CCC=CCC=CC=CC(OO)CCCC(O)=O)CCC
M END
