Mol:LBF19000XX01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 21 0 0 1 0 0 0 0 0999 V2000
-0.6524 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5163 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0993 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6823 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2653 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8185 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4015 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9831 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9857 -0.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6994 0.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9844 0.4124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.9844 -0.4126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4015 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8185 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0694 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6994 -0.0001 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
7 1 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 6 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
9 13 1 0 0 0 0
13 14 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
18 19 1 0 0 0 0
19 20 1 0 0 0 0
13 21 1 4 0 0 0
14 21 1 4 0 0 0
S SKP 5
ID LBF19000XX01
FORMULA C19H36O2
EXACTMASS 296.271530396
AVERAGEMASS 296.48794000000004
SMILES C(C(CCCCCCCCCC(O)=O)1)(CCCCCC)C1
M END
