Mol:LBF20406AM21
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 23 0 0 0 0 0 0 0 0999 V2000
-3.5274 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5274 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7024 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7024 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9888 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2752 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9888 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2752 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4502 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4502 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2635 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9399 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2635 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6907 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4043 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1179 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6907 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4043 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1184 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9399 0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9153 -0.3256 0.0000 C 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
21 24 1 0 0 0 0
S SKP 5
ID LBF20406AM21
FORMULA C22H37NO
EXACTMASS 331.287514811
AVERAGEMASS 331.53532
SMILES C(CCC(N(C)C)=O)C=CCC=CCC=CCC=CCCCCC
M END
