Mol:LBF20806AM02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 31 0 0 0 0 0 0 0 0999 V2000
-5.4182 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4182 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5932 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5932 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8796 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1660 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3410 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8307 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6273 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9137 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8796 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1660 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2001 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2271 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3410 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6273 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9137 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2001 -0.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1807 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5932 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4182 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8307 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4182 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5932 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2276 -0.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5143 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9421 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6566 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3710 0.3004 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
6 7 2 0 0 0 0
2 8 1 0 0 0 0
1 8 1 0 0 0 0
9 7 1 0 0 0 0
9 10 1 0 0 0 0
3 11 1 0 0 0 0
11 12 1 0 0 0 0
13 10 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
12 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 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
21 26 1 0 0 0 0
20 27 1 0 0 0 0
20 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 21 1 0 0 0 0
S SKP 5
ID LBF20806AM02
FORMULA C28H41NO2
EXACTMASS 423.313729561
AVERAGEMASS 423.63068
SMILES C(=CCCCC(NCCOc(c1)cccc1)=O)CC=CCC=CCC=CCCCCC
M END
