Mol:LBF20406AM26
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 27 0 0 0 0 0 0 0 0999 V2000
-4.3075 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3075 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4825 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4825 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7689 -0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0553 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7689 0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0553 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2303 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2303 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5166 0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7200 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1971 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5166 -0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1971 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6243 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 -0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6243 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3383 0.0924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6250 1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2910 0.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0055 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7200 0.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0528 -0.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2663 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0632 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
2 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
6 10 2 0 0 0 0
9 11 1 0 0 0 0
2 12 1 0 0 0 0
1 12 1 0 0 0 0
11 13 1 0 0 0 0
14 10 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
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
21 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
S SKP 5
ID LBF20406AM26
FORMULA C24H41NO3
EXACTMASS 391.30864418299996
AVERAGEMASS 391.58727999999996
SMILES C(CN(CCO)C(CCCC=CCC=CCC=CCC=CCCCCC)=O)O
M END
